0 B7R0.2 C#CC(N)CC(O)=O Amb24529562 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.2 C#CC(O)CC(O)=O Amb25737576 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.2 C=C(Br)C[C@H](O)CO Amb25369386 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.2 C=C(CC(O)=O)C#C Amb24568901 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.2 C=C(CC(O)=O)C=C Amb24561923 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.2 C=C(Cl)CC(O)CO Amb24482396 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.2 C=C(Cl)C[C@H](O)CO Amb24560451 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.2 C=CC(O)CC(N)=O Amb25799663 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.2 C=CN(Br)CC(O)=O Amb24629979 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.2 CC(=C)CC(N)CO Amb24665584 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.2 CC(=C)CC(O)CCl Amb25322238 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.2 CC(=C)C[C@H](O)CO Amb25235652 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.2 CC(=CC(O)=O)C#C Amb25687994 [0,0,0,0,0,0|1,0,3]=4 20 B7R0.2 CC(=CC(O)=O)C=O Amb25378040 [0,0,0,0,0,0|0,0,4]=4 21 B7R0.2 CC(=CC(O)=O)OC Amb24699194 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.2 CC(=O)CC(=C)CCl Amb25092223 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.2 CC(=O)CC(=N)CF Amb25087799 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.2 CC(=O)CC(=O)CBr Amb24442011 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.2 CC(=O)CC(=O)NO Amb24096625 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.2 CC(=O)CC(=S)CC Amb24378474 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.2 CC(=O)CC(Cl)CCl Amb25335495 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.2 CC(=O)CC(O)C#C Amb24690832 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.2 CC(=O)CC(O)C=C Amb25103770 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.2 CC(=O)CC(O)CO Amb25304727 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.2 CC(=O)CN(C)C=O Amb25134136 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.2 CC(=O)C[C@@H](O)CO Amb24640954 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.2 CC(=O)C[C@H](O)C=C Amb25051451 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.2 CC(=O)C[C@H](O)CCl Amb25810138 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.2 CC(=O)OC(Br)CBr Amb21520423 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.2 CC(=O)OC(Cl)CBr Amb25843189 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.2 CC(=O)OC(Cl)CCl Amb22729073 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.2 CC(C#C)NC(C)=O Amb24382534 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [0,0,0,0,0,0|1,0,1]=2 42 B7R0.2 CC(C#N)NC(=O)C Amb17399792 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.2 CC(C#N)NC(N)=O Amb25290804 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.2 CC(C#N)OC(=O)C Amb17593174 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.2 CC(C#N)SC(N)=O Amb24746653 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.2 CC(C)=CC(O)CO Amb25144589 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.2 CC(C)CC(C)CBr Amb22641845 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.2 CC(C)CC(C)CC Amb22228298 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.2 CC(C)CC(C)CCl Amb25741744 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.2 CC(C)CC(C)CO Amb22228341 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.2 CC(C)CC(Cl)CO Amb25783978 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.2 CC(C)CC(F)CO Amb25189048 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.2 CC(C)CC(N)CO Amb18015118 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.2 CC(C)CC(O)CO Amb24731733 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.2 CC(C)C[C@@H](N)CO Amb22746869 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.2 CC(C)C[C@H](Cl)CO Amb25334028 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.2 CC(C)C[C@H](N)CO Amb22504556 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.2 CC(C)N[C@H](C)CO Amb25041061 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.2 CC(C)OC(C)CO Amb22733844 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.2 CC(C=C)OC(=O)Cl Amb24550333 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.2 CC(C=O)NC(C)=O Amb18641830 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.2 CC(C=O)OC(C)=O Amb18641863 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.2 CC(CB(Cl)Cl)CCl Amb24677659 [0,0,0,0,0,0|4,0,0]=4 64 B7R0.2 CC(CBr)=CC(=O)Cl Amb24519437 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.2 CC(CBr)CC(C)=O Amb24365894 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.2 CC(CBr)CN(C)C Amb24726942 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.2 CC(CBr)NC(C)=O Amb25223671 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.2 CC(CBr)OC(N)=O Amb24368693 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.2 CC(CC(=C)Br)C=O Amb24380828 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.2 CC(CC(=O)Cl)C=C Amb25278347 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.2 CC(CC(C)=C)C=O Amb18641711 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.2 CC(CC(C)=C)NN Amb25825816 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.2 CC(CC(C)=O)=CCl Amb25685302 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.2 CC(CC(C)=O)=NC Amb25250042 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.2 CC(CC(C)=O)C#C Amb24738456 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.2 CC(CC(C)=O)C#N Amb18124227 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [0,0,0,0,0,0|1,0,2]=3 78 B7R0.2 CC(CC(C)O)C#N Amb25361796 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.2 CC(CC(C)O)OC Amb22757067 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.2 CC(CC(Cl)Cl)CC Amb25725024 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.2 CC(CC(F)F)CO Amb25738045 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.2 CC(CC(N)=O)=CCl Amb25663357 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.2 CC(CC(N)=O)CN Amb18641899 [0,0,0,0,0,0|2,0,0]=2 84 B7R0.2 CC(CC(O)=O)=C=C Amb25265849 [0,0,0,0,0,0|1,0,2]=3 85 B7R0.2 CC(CC(O)=O)=CCl Amb25802122 [0,0,0,0,0,0|1,0,2]=3 86 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [0,0,0,0,0,0|1,0,1]=2 87 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [0,0,0,0,0,0|0,0,2]=2 88 B7R0.2 CC(CC(O)=O)CO Amb18198168 [0,0,0,0,0,0|0,0,0]=0 89 B7R0.2 CC(CC(O)=O)SCl Amb24483173 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.2 CC(CC)=CC(N)=O Amb24640827 [0,0,0,0,0,0|2,0,2]=4 91 B7R0.2 CC(CC)CC(=N)N Amb10607625 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.2 CC(CC)CC(=O)Cl Amb10844649 [0,0,0,0,0,0|2,0,0]=2 93 B7R0.2 CC(CCl)C=C(Cl)Cl Amb25138772 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.2 CC(CCl)C[NH+](C)C Amb22045172 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.2 CC(CCl)N=C(C)Cl Amb24656115 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.2 CC(CCl)NS(C)=O Amb24551851 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.2 CC(CCl)OC(C)=O Amb24481416 [0,0,0,0,0,0|3,0,0]=3 98 B7R0.2 CC(CCl)OS(=O)Cl Amb25121727 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.2 CC(CCl)\N=C(\C)/Cl Amb25189831 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.2 CC(CF)NC(C)=O Amb25077726 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.2 CC(CF)NC(N)=O Amb24354538 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.2 CC(CN)CC(C)=O Amb18251072 [0,0,0,0,0,0|2,0,0]=2 103 B7R0.2 CC(CN)CC(C)O Amb19337142 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.2 CC(CN)CC(O)=O Amb18124263 [0,0,0,0,0,0|1,0,0]=1 105 B7R0.2 CC(CN)CC(O)=O Amb20669501 [0,0,0,0,0,0|1,0,0]=1 106 B7R0.2 CC(CN)CP(O)=O Amb25757942 [0,0,0,0,0,0|2,0,0]=2 107 B7R0.2 CC(CN)NC(C)=O Amb18251073 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.2 CC(CN)NC(N)=O Amb18202682 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.2 CC(CN)NS(C)=O Amb25177123 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.2 CC(CN)SC(C)=O Amb25255492 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.2 CC(CN)SC(N)=N Amb24763725 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.2 CC(CO)=CC(O)=O Amb24689918 [0,0,0,0,0,0|0,0,2]=2 113 B7R0.2 CC(CO)CC(C)=O Amb24606485 [0,0,0,0,0,0|1,0,0]=1 114 B7R0.2 CC(CO)CC(N)=N Amb24579212 [0,0,0,0,0,0|2,0,0]=2 115 B7R0.2 CC(CO)CC(N)=O Amb24452895 [0,0,0,0,0,0|1,0,0]=1 116 B7R0.2 CC(CO)N=C(C)C Amb24699220 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.2 CC(CO)NC(C)=S Amb24482996 [0,0,0,0,0,0|2,1,0]=3 118 B7R0.2 CC(CO)OC(C)=O Amb25144303 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.2 CC(CO)OP(O)=O Amb24643413 [0,0,0,0,0,0|2,0,0]=2 120 B7R0.2 CC(CO)SC(F)F Amb25117751 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.2 CC(CO)SC(N)=N Amb25119560 [0,0,0,0,0,0|3,0,0]=3 122 B7R0.2 CC(CO)\C=C(\C)/Br Amb25807120 [0,0,0,0,0,0|2,0,1]=3 123 B7R0.2 CC(CS)=CC(O)=O Amb25073137 [0,0,0,0,0,0|0,1,2]=3 124 B7R0.2 CC(C[SiH](Cl)Cl)CCl Amb24440813 [0,0,0,0,0,0|3,1,0]=4 125 B7R0.2 CC(N)CC(C)CN Amb18641914 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.2 CC(N)CC(O)CO Amb18124268 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.2 CC(NC(=O)N)CC Amb1105272 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.2 CC(NC)CC(=O)N Amb17231826 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.2 CC(NC)CC(=S)N Amb17231886 [0,0,0,0,0,0|3,1,0]=4 130 B7R0.2 CC(O)CC(=O)CO Amb25116562 [0,0,0,0,0,0|2,0,2]=4 131 B7R0.2 CC(O)CC(C)=NO Amb24475817 [0,0,0,0,0,0|2,0,2]=4 132 B7R0.2 CC(O)CC(C)CO Amb25262806 [0,0,0,0,0,0|1,0,1]=2 133 B7R0.2 CC(O)CC(N)CI Amb25197705 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.2 CC(O)CC(N)CO Amb25828018 [0,0,0,0,0,0|2,0,1]=3 135 B7R0.2 CC(O)CC(O)CCl Amb24663123 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.2 CCC(=C)CC(O)=O Amb18641782 [0,0,0,0,0,0|1,0,2]=3 137 B7R0.2 CCC(=O)CC(O)=O Amb18641869 [0,0,0,0,0,0|2,0,1]=3 138 B7R0.2 CCC(Br)CC(C)=C Amb24355903 [0,0,0,0,0,0|4,0,0]=4 139 B7R0.2 CCC(Br)CC(O)=O Amb24370499 [0,0,0,0,0,0|2,0,0]=2 140 B7R0.2 CCC(C)C=C(Br)Br Amb24744207 [0,0,0,0,0,0|3,0,1]=4 141 B7R0.2 CCC(C)C=C(Cl)Cl Amb24559351 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.2 CCC(C)CC(C)=C Amb22228340 [0,0,0,0,0,0|3,0,0]=3 143 B7R0.2 CCC(C)CC(C)Br Amb24757470 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.2 CCC(C)CC(N)=N Amb19890168 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.2 CCC(C)CC(N)=O Amb25230669 [0,0,0,0,0,0|2,0,0]=2 146 B7R0.2 CCC(C)CN(C)C Amb25851027 [0,0,0,0,0,0|4,0,0]=4 147 B7R0.2 CCC(C)C[N+]([O-])=O Amb25075983 [0,0,0,0,0,0|2,0,1]=3 148 B7R0.2 CCC(C)NC(C)=N Amb25081674 [0,0,0,0,0,0|4,0,0]=4 149 B7R0.2 CCC(C)NC(C)=S Amb24332642 [0,0,0,0,0,0|3,1,0]=4 150 B7R0.2 CCC(C)NC(N)=N Amb24531881 [0,0,0,0,0,0|4,0,0]=4 151 B7R0.2 CCC(C)NC(O)=S Amb25368326 [0,0,0,0,0,0|2,1,0]=3 152 B7R0.2 CCC(C)NC(S)=S Amb24382369 [0,0,0,0,0,0|2,2,0]=4 153 B7R0.2 CCC(C)OC(=O)Cl Amb22168283 [0,0,0,0,0,0|3,0,0]=3 154 B7R0.2 CCC(C)OC(N)=N Amb24563563 [0,0,0,0,0,0|4,0,0]=4 155 B7R0.2 CCC(C)O[N+]([O-])=O Amb25088971 [0,0,0,0,0,0|3,0,1]=4 156 B7R0.2 CCC(C)SC(=O)Cl Amb22350350 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.2 CCC(CC(=O)C)C Amb10608208 [0,0,0,0,0,0|2,0,0]=2 158 B7R0.2 CCC(CC(=O)O)N Amb1993862 [0,0,0,0,0,0|2,0,0]=2 159 B7R0.2 CCC(CC(=O)O)O Amb10844270 [0,0,0,0,0,0|2,0,0]=2 160 B7R0.2 CCC(CC(N)C)C Amb10069423 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.2 CCC(Cl)CC(=O)Cl Amb24390220 [0,0,0,0,0,0|3,0,0]=3 162 B7R0.2 CCC(Cl)CC(C)=C Amb24735482 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.2 CCC(Cl)OC(=O)Cl Amb25853933 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.2 CCC(F)=CC(O)=O Amb24674138 [0,0,0,0,0,0|2,0,2]=4 165 B7R0.2 CCC(N)CC(C)=C Amb24367516 [0,0,0,0,0,0|4,0,0]=4 166 B7R0.2 CCC(N)CC(C)=O Amb18631696 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.2 CCC(N)CC(N)=O Amb25727686 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.2 CCC(N)CS(C)=O Amb24481377 [0,0,0,0,0,0|4,0,0]=4 169 B7R0.2 CCC(N)NC(C)=O Amb25062531 [0,0,0,0,0,0|4,0,0]=4 170 B7R0.2 CCC(O)CC(C)=C Amb24062975 [0,0,0,0,0,0|4,0,0]=4 171 B7R0.2 CCC(O)CC(C)=O Amb25065181 [0,0,0,0,0,0|3,0,0]=3 172 B7R0.2 CCC(O)CC(N)=O Amb24616660 [0,0,0,0,0,0|3,0,0]=3 173 B7R0.2 CCC(O)CC(O)=O Amb22363067 [0,0,0,0,0,0|2,0,0]=2 174 B7R0.2 CCC(O)C[N+]([O-])=O Amb25136685 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.2 CCC(S)CC(O)=O Amb18303084 [0,0,0,0,0,0|2,0,0]=2 176 B7R0.2 CCN(C)CC(=C)Br Amb25333139 [0,0,0,0,0,0|4,0,0]=4 177 B7R0.2 CCN(C)NC(C)=O Amb24675229 [0,0,0,0,0,0|4,0,0]=4 178 B7R0.2 CCN(CC(O)C)C Amb17334070 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.2 CCN(N)CC(O)=O Amb25738005 [0,0,0,0,0,0|3,0,0]=3 180 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [0,0,0,0,0,0|3,0,0]=3 181 B7R0.2 CC[C@@H](Br)CC(O)=O Amb24467852 [0,0,0,0,0,0|2,0,0]=2 182 B7R0.2 CC[C@@H](C)CC(=O)Cl Amb23425123 [0,0,0,0,0,0|2,0,0]=2 183 B7R0.2 CC[C@@H](C)CC(N)=O Amb25310922 [0,0,0,0,0,0|2,0,0]=2 184 B7R0.2 CC[C@@H](C)NC(C)=O Amb25169508 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.2 CC[C@@H](N)CC(O)=O Amb22225305 [0,0,0,0,0,0|2,0,0]=2 186 B7R0.2 CC[C@@H](O)CC(C)=C Amb25136335 [0,0,0,0,0,0|4,0,0]=4 187 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [0,0,0,0,0,0|3,0,0]=3 188 B7R0.2 CC[C@@H](S)CC(O)=O Amb24481337 [0,0,0,0,0,0|2,0,0]=2 189 B7R0.2 CC[C@H](C)CC(C)=O Amb24614519 [0,0,0,0,0,0|2,0,0]=2 190 B7R0.2 CC[C@H](C)CC(C)N Amb25062813 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.2 CC[C@H](C)CC(N)=N Amb24409491 [0,0,0,0,0,0|3,0,0]=3 192 B7R0.2 CC[C@H](C)NC(C)=O Amb25823467 [0,0,0,0,0,0|3,0,0]=3 193 B7R0.2 CC[C@H](N)CC(O)=O Amb22226650 [0,0,0,0,0,0|2,0,0]=2 194 B7R0.2 CC[C@H](O)C[N+]([O-])=O Amb25854053 [0,0,0,0,0,0|3,0,1]=4 195 B7R0.2 CC[S+](C)CC(O)=O Amb24710040 [0,0,0,0,0,0|2,0,0]=2 196 B7R0.2 CN(C)CC(N)CO Amb25742525 [0,0,0,0,0,0|4,0,0]=4 197 B7R0.2 CN(C)C[C@@H](N)CO Amb24411936 [0,0,0,0,0,0|4,0,0]=4 198 B7R0.2 CN(CC(N)=O)C#N Amb24457322 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.2 CN(CC(O)=O)C#N Amb25195711 [0,0,0,0,0,0|2,0,1]=3 200 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [0,0,0,0,0,0|1,0,2]=3 201 B7R0.2 CNC(C)CC(N)=O Amb19960012 [0,0,0,0,0,0|3,0,0]=3 202 B7R0.2 CNC(C)CC(O)=O Amb21959674 [0,0,0,0,0,0|2,0,0]=2 203 B7R0.2 CNC(C)CS(C)=O Amb24410768 [0,0,0,0,0,0|4,0,0]=4 204 B7R0.2 CNC(C)C[N+]([O-])=O Amb25297025 [0,0,0,0,0,0|3,0,1]=4 205 B7R0.2 CN[C@@H](C)CC(O)=O Amb25255193 [0,0,0,0,0,0|2,0,0]=2 206 B7R0.2 CN[C@H](C)CC(O)=O Amb25339129 [0,0,0,0,0,0|2,0,0]=2 207 B7R0.2 COC(=O)CC(=O)O Amb16232032 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.2 COC(C)CC(N)=S Amb25782261 [0,0,0,0,0,0|3,1,0]=4 209 B7R0.2 COC(C)CS([O-])=O Amb25690482 [0,0,0,0,0,0|3,0,1]=4 210 B7R0.2 CON(C)CC(N)=O Amb24447118 [0,0,0,0,0,0|4,0,0]=4 211 B7R0.2 CO[C@@H](C)CC(O)=O Amb24481367 [0,0,0,0,0,0|2,0,0]=2 212 B7R0.2 CO[C@@H](O)CC(C)=O Amb24450127 [0,0,0,0,0,0|4,0,0]=4 213 B7R0.2 CS(=O)CC(O)CN Amb24482487 [0,0,0,0,0,0|4,0,0]=4 214 B7R0.2 CS(=O)C[C@@H](O)CN Amb25284334 [0,0,0,0,0,0|4,0,0]=4 215 B7R0.2 CS(=O)C[C@H](N)CO Amb24436533 [0,0,0,0,0,0|3,0,0]=3 216 B7R0.2 CS(=O)C[C@H](O)CN Amb25811520 [0,0,0,0,0,0|4,0,0]=4 217 B7R0.2 CSC(C)CC(C)=O Amb25714199 [0,0,0,0,0,0|3,0,0]=3 218 B7R0.2 CSC(C)CC(O)=O Amb18967824 [0,0,0,0,0,0|2,0,0]=2 219 B7R0.2 C[C@@H](C#N)NC(C)=O Amb25142287 [0,0,0,0,0,0|3,0,1]=4 220 B7R0.2 C[C@@H](C=C)NC(C)=O Amb25084335 [0,0,0,0,0,0|3,0,1]=4 221 B7R0.2 C[C@@H](C=O)OC(C)=O Amb24724866 [0,0,0,0,0,0|2,0,2]=4 222 B7R0.2 C[C@@H](CC(=C)Br)C=O Amb25325003 [0,0,0,0,0,0|2,0,2]=4 223 B7R0.2 C[C@@H](CC(C)=C)C=O Amb24375353 [0,0,0,0,0,0|2,0,2]=4 224 B7R0.2 C[C@@H](CC(C)=O)C#C Amb25721483 [0,0,0,0,0,0|2,0,1]=3 225 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [0,0,0,0,0,0|1,0,2]=3 226 B7R0.2 C[C@@H](CC(O)=O)ON Amb25189045 [0,0,0,0,0,0|2,0,0]=2 227 B7R0.2 C[C@@H](CCl)OC(C)=O Amb24419691 [0,0,0,0,0,0|3,0,0]=3 228 B7R0.2 C[C@@H](CO)CC(C)=C Amb25845281 [0,0,0,0,0,0|2,0,0]=2 229 B7R0.2 C[C@@H](CO)CC(C)=O Amb25072788 [0,0,0,0,0,0|1,0,0]=1 230 B7R0.2 C[C@@H](CO)N=C(C)C Amb25343868 [0,0,0,0,0,0|3,0,0]=3 231 B7R0.2 C[C@@H](CO)NC(N)=N Amb24724774 [0,0,0,0,0,0|3,0,0]=3 232 B7R0.2 C[C@@H](CO)NC(N)=O Amb25315937 [0,0,0,0,0,0|2,0,0]=2 233 B7R0.2 C[C@@H](CO)OC(C)=O Amb25681753 [0,0,0,0,0,0|2,0,0]=2 234 B7R0.2 C[C@@H](C[C@@H](C)O)NC Amb24505242 [0,0,0,0,0,0|3,0,1]=4 235 B7R0.2 C[C@@H](C[C@H](C)O)C=C Amb25763927 [0,0,0,0,0,0|2,0,2]=4 236 B7R0.2 C[C@@H](C[C@H](C)O)NC Amb25324434 [0,0,0,0,0,0|3,0,1]=4 237 B7R0.2 C[C@@H](N)C[C@H](O)CO Amb24351981 [0,0,0,0,0,0|3,0,1]=4 238 B7R0.2 C[C@@H](O)C[C@H](C)CO Amb24642405 [0,0,0,0,0,0|1,0,1]=2 239 B7R0.2 C[C@H](C#N)NC(C)=O Amb24481316 [0,0,0,0,0,0|3,0,1]=4 240 B7R0.2 C[C@H](CBr)NC(C)=O Amb24690410 [0,0,0,0,0,0|3,0,0]=3 241 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [0,0,0,0,0,0|1,0,1]=2 242 B7R0.2 C[C@H](CO)C=C(C)C Amb25850751 [0,0,0,0,0,0|2,0,1]=3 243 B7R0.2 C[C@H](CO)NC(C)=O Amb24426644 [0,0,0,0,0,0|2,0,0]=2 244 B7R0.2 C[C@H](CO)NC(C)=S Amb24746025 [0,0,0,0,0,0|2,1,0]=3 245 B7R0.2 C[C@H](CO)NC(N)=O Amb24682644 [0,0,0,0,0,0|2,0,0]=2 246 B7R0.2 C[C@H](CO)\C=C(\C)/Br Amb25682034 [0,0,0,0,0,0|2,0,1]=3 247 B7R0.2 C[C@H](C[C@H](C)O)C#N Amb25135337 [0,0,0,0,0,0|2,0,2]=4 248 B7R0.2 C[C@H](C[C@H](C)O)OC Amb24733201 [0,0,0,0,0,0|3,0,1]=4 249 B7R0.2 C[C@H](O)C[C@@H](C)CO Amb25845280 [0,0,0,0,0,0|1,0,1]=2 250 B7R0.2 C[C@H](O)C[C@@H](N)CO Amb25105060 [0,0,0,0,0,0|2,0,1]=3 251 B7R0.2 C[C@H](O)\C=C(\C)/CO Amb24372060 [0,0,0,0,0,0|1,0,3]=4 252 B7R0.2 C[S+](C)CC(O)CO Amb24493510 [0,0,0,0,0,0|4,0,0]=4 253 B7R0.2 C\C(=C/C(O)=O)\C=O Amb25138216 [0,0,0,0,0,0|0,0,4]=4 254 B7R0.2 C\C(=C\C(O)=O)\C=C Amb18641686 [0,0,0,0,0,0|1,0,3]=4 255 B7R0.2 C\C(=C\C(O)=O)\C=O Amb24579433 [0,0,0,0,0,0|0,0,4]=4 256 B7R0.2 C\C(\CBr)=C/C(O)=O Amb23538399 [0,0,0,0,0,0|1,0,2]=3 257 B7R0.2 C\C(\CC(C)=O)=N/C Amb25093198 [0,0,0,0,0,0|3,0,1]=4 258 B7R0.2 C\C(\CC(C)=O)=N\C Amb25285772 [0,0,0,0,0,0|3,0,1]=4 259 B7R0.2 C\C(\CC(C)=O)=N\O Amb24457353 [0,0,0,0,0,0|2,0,1]=3 260 B7R0.2 C\C(\CC(N)=O)=C\C Amb25055448 [0,0,0,0,0,0|2,0,2]=4 261 B7R0.2 C\C(\CC(O)=O)=C\C Amb24481339 [0,0,0,0,0,0|1,0,2]=3 262 B7R0.2 C\C(\CC(O)=O)=N/O Amb25064289 [0,0,0,0,0,0|1,0,1]=2 263 B7R0.2 C\C(\CC)=C\C(O)=O Amb18281014 [0,0,0,0,0,0|1,0,2]=3 264 B7R0.2 C\C(\CCl)=C\C(C)=O Amb25340485 [0,0,0,0,0,0|2,0,2]=4 265 B7R0.2 C\C(\CN)=C\C(C)=O Amb20621518 [0,0,0,0,0,0|2,0,2]=4 266 B7R0.2 C\C(\CO)=C/C(C)=O Amb25240045 [0,0,0,0,0,0|1,0,2]=3 267 B7R0.2 C\C(\CO)=C/C(O)=O Amb18641871 [0,0,0,0,0,0|0,0,2]=2 268 B7R0.2 C\C(\CO)=C\C(C)=O Amb24518297 [0,0,0,0,0,0|1,0,2]=3 269 B7R0.2 C\C=C(\Cl)/CC(O)=O Amb25174797 [0,0,0,0,0,0|2,0,2]=4 270 B7R0.2 C\[N+](\CC(N)=O)=N\[O-] Amb25131183 [0,0,0,0,0,0|3,0,1]=4 271 B7R0.2 ClCC(=O)CC(=O)Cl Amb17593874 [0,0,0,0,0,0|3,0,1]=4 272 B7R0.2 NC(=N)C[C@@H](O)CCl Amb24387966 [0,0,0,0,0,0|4,0,0]=4 273 B7R0.2 NC(=O)CC(O)CO Amb25662216 [0,0,0,0,0,0|2,0,0]=2 274 B7R0.2 NC(=O)C[C@H](O)CCl Amb25791271 [0,0,0,0,0,0|3,0,0]=3 275 B7R0.2 NC(CC(N)=O)C#N Amb24122907 [0,0,0,0,0,0|3,0,1]=4 276 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [0,0,0,0,0,0|2,0,2]=4 277 B7R0.2 NC(CF)CC(O)=O Amb24428065 [0,0,0,0,0,0|2,0,0]=2 278 B7R0.2 NC(CO)=CC(O)=O Amb24628694 [0,0,0,0,0,0|1,0,2]=3 279 B7R0.2 NC(CO)CC(N)=O Amb24384089 [0,0,0,0,0,0|2,0,0]=2 280 B7R0.2 NC(CS)CC(O)=O Amb25090412 [0,0,0,0,0,0|1,1,0]=2 281 B7R0.2 NCC(Br)=CC(O)=O Amb25288089 [0,0,0,0,0,0|2,0,2]=4 282 B7R0.2 NCC(Cl)=CC(O)=O Amb25368348 [0,0,0,0,0,0|2,0,2]=4 283 B7R0.2 NCC(F)CC(O)=O Amb24550169 [0,0,0,0,0,0|2,0,0]=2 284 B7R0.2 NCC(N)CC(O)=O Amb19515145 [0,0,0,0,0,0|2,0,0]=2 285 B7R0.2 NCC(N)CC(O)=O Amb21858324 [0,0,0,0,0,0|2,0,0]=2 286 B7R0.2 NCC(N)CC(O)=O Amb22751661 [0,0,0,0,0,0|2,0,0]=2 287 B7R0.2 NCC(O)CC(N)=O Amb18641952 [0,0,0,0,0,0|3,0,0]=3 288 B7R0.2 NCC(O)CP(=O)=O Amb24648320 [0,0,0,0,0,0|3,0,1]=4 289 B7R0.2 NCC(O)CP(O)=O Amb24714285 [0,0,0,0,0,0|3,0,0]=3 290 B7R0.2 NC[C@@H](F)CP(O)=O Amb24481490 [0,0,0,0,0,0|3,0,0]=3 291 B7R0.2 NC[C@@H](N)CC(O)=O Amb22751651 [0,0,0,0,0,0|2,0,0]=2 292 B7R0.2 NC[C@@H](N)CC(O)=O Amb25829509 [0,0,0,0,0,0|2,0,0]=2 293 B7R0.2 NC[C@H](CC(=O)O)N Amb10603267 [0,0,0,0,0,0|2,0,0]=2 294 B7R0.2 NC[C@H](F)CS(O)=O Amb25068064 [0,0,0,0,0,0|3,0,0]=3 295 B7R0.2 NC[C@H](N)CC(O)=O Amb25378712 [0,0,0,0,0,0|2,0,0]=2 296 B7R0.2 NC[C@H](O)CP(O)=O Amb25324060 [0,0,0,0,0,0|3,0,0]=3 297 B7R0.2 NC\C(\Cl)=C\C(O)=O Amb24375873 [0,0,0,0,0,0|2,0,2]=4 298 B7R0.2 NNC(=O)CC(O)=O Amb25073925 [0,0,0,0,0,0|3,0,1]=4 299 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [0,0,0,0,0,0|2,0,2]=4 300 B7R0.2 N[C@@H](CC(O)=O)C#N Amb25757887 [0,0,0,0,0,0|2,0,1]=3 301 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [0,0,0,0,0,0|1,0,3]=4 302 B7R0.2 N[C@@H](CO)CC(N)=O Amb24704927 [0,0,0,0,0,0|2,0,0]=2 303 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [0,0,0,0,0,0|1,0,2]=3 304 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [0,0,0,0,0,0|1,0,0]=1 305 B7R0.2 N[C@H](CO)CC(N)=O Amb24599306 [0,0,0,0,0,0|2,0,0]=2 306 B7R0.2 N\C(\CC(O)=O)=N/N Amb25281098 [0,0,0,0,0,0|3,0,1]=4 307 B7R0.2 O=C(Cl)CC(Cl)CCl Amb25138703 [0,0,0,0,0,0|3,0,0]=3 308 B7R0.2 O=NN(CC(=O)O)C Amb17618622 [0,0,0,0,0,0|2,0,1]=3 309 B7R0.2 OC(=O)CC(=O)CCl Amb18124484 [0,0,0,0,0,0|2,0,1]=3 310 B7R0.2 OC(=O)CC(=O)NO Amb24444078 [0,0,0,0,0,0|2,0,1]=3 311 B7R0.2 OC(=O)CC(Br)CCl Amb25834578 [0,0,0,0,0,0|2,0,0]=2 312 B7R0.2 OC(=O)CC(Cl)CCl Amb25335414 [0,0,0,0,0,0|2,0,0]=2 313 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [0,0,0,0,0,0|1,0,2]=3 314 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [0,0,0,0,0,0|2,0,2]=4 315 B7R0.2 OC(=O)CN(O)N=O Amb25041862 [0,0,0,0,0,0|3,0,1]=4 316 B7R0.2 OC(=O)\C=C(\Br)/CCl Amb24355885 [0,0,0,0,0,0|2,0,2]=4 317 B7R0.2 OC(=O)\C=C(\Cl)/CBr Amb25336694 [0,0,0,0,0,0|2,0,2]=4 318 B7R0.2 OC(CC(=O)Cl)CCl Amb25806118 [0,0,0,0,0,0|3,0,0]=3 319 B7R0.2 OC(CCl)CC(O)=O Amb18643354 [0,0,0,0,0,0|2,0,0]=2 320 B7R0.2 OCC(O)C=C(Cl)Cl Amb25848600 [0,0,0,0,0,0|3,0,1]=4 321 B7R0.2 OCC(O)CP(O)=O Amb25316128 [0,0,0,0,0,0|2,0,0]=2 322 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [0,0,0,0,0,0|1,0,0]=1 323 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [0,0,0,0,0,0|1,0,0]=1 324 B7R0.2 O[C@@H](CC(F)F)CO Amb25831928 [0,0,0,0,0,0|3,0,1]=4 325 B7R0.2 O[C@H](CBr)CC(O)=O Amb22265826 [0,0,0,0,0,0|2,0,0]=2 326 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [0,0,0,0,0,0|1,0,3]=4 327 B7R0.2 [O-]C(=O)CC(O)CO Amb24117078 [0,0,0,0,0,0|1,0,1]=2 328 B7R0.2 [O-][N+](=O)CC(Cl)CCl Amb22347684 [0,0,0,0,0,0|3,0,1]=4 329 B6R0.1 C#CCC(N)CO Amb25076788 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.1 C#CCC(O)CO Amb24763520 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.1 C#CC[C@@H](N)CO Amb24583682 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.1 C#CC[C@H](N)CO Amb24606335 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.1 C/C(CO)=C\C=C Amb17843900 [1,0,0,0,0,0|1,0,2]=4 334 B6R0.1 C=C(CCO)CO Amb25825219 [1,0,0,0,0,0|0,0,3]=4 335 B6R0.1 C=CC(Cl)CC=O Amb24595013 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.1 C=CCC(=C)CO Amb25854150 [1,0,0,0,0,0|1,0,2]=4 337 B6R0.1 C=CCC(Br)CO Amb24399232 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.1 C=CCC(Cl)CO Amb25807468 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.1 C=CCC(N)CF Amb25183816 [1,0,0,0,0,0|3,0,0]=4 340 B6R0.1 C=CCC(N)CN Amb24479839 [1,0,0,0,0,0|3,0,0]=4 341 B6R0.1 C=CCC(N)CO Amb24745656 [1,0,0,0,0,0|2,0,0]=3 342 B6R0.1 C=CCC(O)CBr Amb24478446 [1,0,0,0,0,0|3,0,0]=4 343 B6R0.1 C=CCC(O)CF Amb25345890 [1,0,0,0,0,0|3,0,0]=4 344 B6R0.1 C=CCC(O)CI Amb25746456 [1,0,0,0,0,0|3,0,0]=4 345 B6R0.1 C=CCC(O)CN Amb22304831 [1,0,0,0,0,0|3,0,0]=4 346 B6R0.1 C=CC[C@@H](N)CO Amb24088744 [1,0,0,0,0,0|2,0,0]=3 347 B6R0.1 C=CC[C@@H](O)CCl Amb22736714 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.1 C=CC[C@@H](O)CI Amb24419791 [1,0,0,0,0,0|3,0,0]=4 349 B6R0.1 C=CC[C@H](Br)CO Amb24479036 [1,0,0,0,0,0|2,0,0]=3 350 B6R0.1 C=CC[C@H](N)CO Amb24088875 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.1 C=CC[C@H](N)CO Amb25732908 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.1 C=CC[C@H](O)CCl Amb22736707 [1,0,0,0,0,0|3,0,0]=4 353 B6R0.1 CC#CC(C)CO Amb25131236 [1,0,0,0,0,0|1,0,2]=4 354 B6R0.1 CC(C#C)NC=O Amb25366975 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.1 CC(C#N)NC=O Amb18120801 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.1 CC(CBr)CC#N Amb18126303 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.1 CC(CBr)CC=C Amb24740775 [1,0,0,0,0,0|2,0,0]=3 358 B6R0.1 CC(CBr)CC=O Amb18126382 [1,0,0,0,0,0|1,0,0]=2 359 B6R0.1 CC(CBr)NC=O Amb25363197 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.1 CC(CC)\C=C\Cl Amb24334568 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.1 CC(CC=C)C=C Amb25705690 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.1 CC(CC=C)NN Amb25351147 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.1 CC(CC=O)=C=C Amb24434894 [1,0,0,0,0,0|1,0,2]=4 364 B6R0.1 CC(CC=O)C#N Amb18638919 [1,0,0,0,0,0|1,0,1]=3 365 B6R0.1 CC(CC=O)C=C Amb18120863 [1,0,0,0,0,0|1,0,1]=3 366 B6R0.1 CC(CC=O)C=O Amb18121376 [1,0,0,0,0,0|0,0,2]=3 367 B6R0.1 CC(CCCl)CCl Amb24479659 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.1 CC(CCI)CI Amb25777394 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.1 CC(CCN)CN Amb21955767 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.1 CC(CCO)C#C Amb25762142 [1,0,0,0,0,0|1,0,2]=4 371 B6R0.1 CC(CCO)C=C Amb22229374 [1,0,0,0,0,0|1,0,2]=4 372 B6R0.1 CC(CCO)C=C Amb22641463 [1,0,0,0,0,0|1,0,2]=4 373 B6R0.1 CC(CCl)CC#N Amb25735504 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.1 CC(CCl)CC=O Amb24332851 [1,0,0,0,0,0|1,0,0]=2 375 B6R0.1 CC(CCl)CCN Amb24436514 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.1 CC(CCl)N=C=O Amb25314842 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.1 CC(CCl)\C=C\Cl Amb24472920 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.1 CC(CF)CC#N Amb24742643 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.1 CC(CF)CCO Amb24332497 [1,0,0,0,0,0|1,0,1]=3 380 B6R0.1 CC(CN)CC=C Amb18121275 [1,0,0,0,0,0|2,0,0]=3 381 B6R0.1 CC(CN)CCBr Amb25353643 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.1 CC(CN)CCCl Amb24599413 [1,0,0,0,0,0|2,0,1]=4 383 B6R0.1 CC(CN)CCF Amb24539384 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.1 CC(CN)CNO Amb25235896 [1,0,0,0,0,0|2,0,0]=3 385 B6R0.1 CC(CNN)CN Amb24673236 [1,0,0,0,0,0|3,0,0]=4 386 B6R0.1 CC(CO)=CC=N Amb25057805 [1,0,0,0,0,0|1,0,2]=4 387 B6R0.1 CC(CO)=CCO Amb25296164 [1,0,0,0,0,0|0,0,3]=4 388 B6R0.1 CC(CO)CC#C Amb24406137 [1,0,0,0,0,0|1,0,1]=3 389 B6R0.1 CC(CO)CC#N Amb24691578 [1,0,0,0,0,0|1,0,1]=3 390 B6R0.1 CC(CO)CC=C Amb17593084 [1,0,0,0,0,0|1,0,0]=2 391 B6R0.1 CC(CO)CC=O Amb18639949 [1,0,0,0,0,0|0,0,0]=1 392 B6R0.1 CC(CO)CCCl Amb24568555 [1,0,0,0,0,0|1,0,1]=3 393 B6R0.1 CC(CO)CNC Amb17569890 [1,0,0,0,0,0|2,0,0]=3 394 B6R0.1 CC(CO)CON Amb25746199 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.1 CC(CO)N=[N+]=[N-] Amb24651075 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.1 CC(CO)NC#N Amb24479827 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.1 CC(CO)NC=O Amb25330301 [1,0,0,0,0,0|1,0,0]=2 398 B6R0.1 CC(CO)OC=O Amb25026452 [1,0,0,0,0,0|1,0,0]=2 399 B6R0.1 CC(CO)OCO Amb24332099 [1,0,0,0,0,0|1,0,1]=3 400 B6R0.1 CC(CON)CN Amb24479834 [1,0,0,0,0,0|3,0,0]=4 401 B6R0.1 CC(OC)CC=O Amb17593089 [1,0,0,0,0,0|2,0,0]=3 402 B6R0.1 CC(\C=C\O)C#C Amb25686428 [1,0,0,0,0,0|1,0,2]=4 403 B6R0.1 CC=NC(C)CO Amb24332341 [1,0,0,0,0,0|2,0,0]=3 404 B6R0.1 CC=N[C@@H](C)CO Amb24507477 [1,0,0,0,0,0|2,0,0]=3 405 B6R0.1 CCC(=C)CC=O Amb24445213 [1,0,0,0,0,0|1,0,2]=4 406 B6R0.1 CCC(=O)CC=O Amb24333311 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.1 CCC(Br)CC=C Amb24528531 [1,0,0,0,0,0|3,0,0]=4 408 B6R0.1 CCC(C)C=NO Amb24443378 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.1 CCC(C)CC#C Amb22229837 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.1 CCC(C)CC#N Amb24117251 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.1 CCC(C)CCBr Amb22641836 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.1 CCC(C)CCC Amb22229359 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.1 CCC(C)CCCl Amb24478904 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.1 CCC(C)CCS Amb24657421 [1,0,0,0,0,0|1,1,1]=4 415 B6R0.1 CCC(C)CNC Amb19271598 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.1 CCC(C)CON Amb25316087 [1,0,0,0,0,0|3,0,0]=4 417 B6R0.1 CCC(C)C[Mg]Br Amb22897327 [1,0,0,0,0,0|3,0,0]=4 418 B6R0.1 CCC(C)C[Zn]Br Amb22897702 [1,0,0,0,0,0|3,0,0]=4 419 B6R0.1 CCC(C)NC=S Amb24659847 [1,0,0,0,0,0|2,1,0]=4 420 B6R0.1 CCC(C)OC=O Amb22734039 [1,0,0,0,0,0|2,0,0]=3 421 B6R0.1 CCC(C)SC=C Amb25745483 [1,0,0,0,0,0|3,0,0]=4 422 B6R0.1 CCC(I)CCO Amb24574041 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.1 CCC(N)CC=C Amb18977592 [1,0,0,0,0,0|3,0,0]=4 424 B6R0.1 CCC(N)CC=C Amb22831631 [1,0,0,0,0,0|3,0,0]=4 425 B6R0.1 CCC(N)CCO Amb18833133 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.1 CCC(O)CC=C Amb22734219 [1,0,0,0,0,0|3,0,0]=4 427 B6R0.1 CCCC(Br)CO Amb25320904 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.1 CCCC(C)CBr Amb18177792 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.1 CCCC(C)CI Amb24531410 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.1 CCCC(C)CS Amb25851785 [1,0,0,0,0,0|1,1,1]=4 431 B6R0.1 CCCC(C)NO Amb25737149 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.1 CCC[C@@H](C)CO Amb22823174 [1,0,0,0,0,0|1,0,1]=3 433 B6R0.1 CCC[C@@H](N)CO Amb22756532 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.1 CCC[C@@H](O)CO Amb25215310 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.1 CCC[C@H](Br)CO Amb24478880 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.1 CCC[C@H](C)CBr Amb24478868 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.1 CCC[C@H](C)CI Amb24372792 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.1 CCC[C@H](Cl)CO Amb25858080 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.1 CCC[C@H](O)CO Amb22225461 [1,0,0,0,0,0|2,0,1]=4 440 B6R0.1 CCN[C@H](C)CO Amb24523700 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.1 CCOC(C)CO Amb22641850 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.1 CCO[C@@H](C)CO Amb24352251 [1,0,0,0,0,0|2,0,1]=4 443 B6R0.1 CCO[C@H](C)CO Amb25745761 [1,0,0,0,0,0|2,0,1]=4 444 B6R0.1 CC[C@@H](C)CCBr Amb25362204 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.1 CC[C@@H](C)CCI Amb24531332 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.1 CC[C@@H](C)CCN Amb25173553 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.1 CC[C@@H](C)CCO Amb22800733 [1,0,0,0,0,0|1,0,1]=3 448 B6R0.1 CC[C@@H](C)N=C=O Amb24724238 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.1 CC[C@@H](N)CC=C Amb22831805 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.1 CC[C@@H](N)CCO Amb24479845 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.1 CC[C@@H](O)CC=C Amb22898757 [1,0,0,0,0,0|3,0,0]=4 452 B6R0.1 CC[C@H](C)CC=O Amb25805988 [1,0,0,0,0,0|1,0,0]=2 453 B6R0.1 CC[C@H](C)CCN Amb24640834 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.1 CC[C@H](C)CCO Amb24333653 [1,0,0,0,0,0|1,0,1]=3 455 B6R0.1 CC[C@H](C)NC=O Amb25261503 [1,0,0,0,0,0|2,0,0]=3 456 B6R0.1 CC[C@H](N)CCO Amb24738993 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.1 CC[C@H](O)CC=C Amb25832194 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.1 CN(CCO)CO Amb24691618 [1,0,0,0,0,0|1,0,1]=3 459 B6R0.1 CNC(C)CC=C Amb18292023 [1,0,0,0,0,0|3,0,0]=4 460 B6R0.1 CNC(C)NC=O Amb24479143 [1,0,0,0,0,0|3,0,0]=4 461 B6R0.1 CNCC(C)CN Amb18300042 [1,0,0,0,0,0|3,0,0]=4 462 B6R0.1 CNCC(C)CS Amb25853223 [1,0,0,0,0,0|2,1,0]=4 463 B6R0.1 CNC[C@@H](O)CO Amb25691371 [1,0,0,0,0,0|3,0,0]=4 464 B6R0.1 CNC[C@H](C)CO Amb25663141 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.1 COC(C)NC=O Amb24392931 [1,0,0,0,0,0|3,0,0]=4 466 B6R0.1 COCC(C)CBr Amb24332722 [1,0,0,0,0,0|3,0,0]=4 467 B6R0.1 COCC(C)CCl Amb24393321 [1,0,0,0,0,0|3,0,0]=4 468 B6R0.1 COCC(C)NO Amb25067465 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.1 COCC(S)CO Amb25169571 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.1 COC[C@@H](C)CO Amb22745568 [1,0,0,0,0,0|2,0,0]=3 471 B6R0.1 COC[C@@H](O)CO Amb25047657 [1,0,0,0,0,0|3,0,0]=4 472 B6R0.1 COC[C@H](C)CO Amb17872438 [1,0,0,0,0,0|2,0,0]=3 473 B6R0.1 CONC(C)CO Amb24542446 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.1 CSC(C)CC=C Amb25662675 [1,0,0,0,0,0|3,0,0]=4 475 B6R0.1 CSCC(C)CN Amb18970333 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.1 CSCC(C)CS Amb24350656 [1,0,0,0,0,0|2,1,0]=4 477 B6R0.1 CSCC(N)CO Amb18642038 [1,0,0,0,0,0|3,0,0]=4 478 B6R0.1 CSC[C@@H](N)CO Amb24479894 [1,0,0,0,0,0|3,0,0]=4 479 B6R0.1 CSC[C@H](O)CO Amb25745523 [1,0,0,0,0,0|3,0,0]=4 480 B6R0.1 CSSC(C)CO Amb24657783 [1,0,0,0,0,0|3,0,0]=4 481 B6R0.1 CS[C@H](C)CCO Amb24581736 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.1 C[C@@H](CBr)CC=C Amb24739638 [1,0,0,0,0,0|2,0,0]=3 483 B6R0.1 C[C@@H](CBr)CCO Amb24478942 [1,0,0,0,0,0|1,0,1]=3 484 B6R0.1 C[C@@H](CC=O)C=C Amb25746367 [1,0,0,0,0,0|1,0,1]=3 485 B6R0.1 C[C@@H](CCO)C=C Amb24334509 [1,0,0,0,0,0|1,0,2]=4 486 B6R0.1 C[C@@H](CCO)CO Amb19944691 [1,0,0,0,0,0|0,0,1]=2 487 B6R0.1 C[C@@H](CCl)CCO Amb24671318 [1,0,0,0,0,0|1,0,1]=3 488 B6R0.1 C[C@@H](CI)CC=C Amb25242572 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.1 C[C@@H](CN)CC=C Amb25836360 [1,0,0,0,0,0|2,0,0]=3 490 B6R0.1 C[C@@H](CO)CC#C Amb25042877 [1,0,0,0,0,0|1,0,1]=3 491 B6R0.1 C[C@@H](CO)CC=C Amb25167493 [1,0,0,0,0,0|1,0,0]=2 492 B6R0.1 C[C@@H](CO)CCN Amb22801706 [1,0,0,0,0,0|1,0,1]=3 493 B6R0.1 C[C@@H](CO)N=[N+]=[N-] Amb25311165 [1,0,0,0,0,0|3,0,0]=4 494 B6R0.1 C[C@@H](CO)NC#N Amb25125031 [1,0,0,0,0,0|2,0,1]=4 495 B6R0.1 C[C@@H](CO)NC=O Amb25372235 [1,0,0,0,0,0|1,0,0]=2 496 B6R0.1 C[C@H](CBr)CC#N Amb24577421 [1,0,0,0,0,0|2,0,1]=4 497 B6R0.1 C[C@H](CBr)CCO Amb24740770 [1,0,0,0,0,0|1,0,1]=3 498 B6R0.1 C[C@H](CBr)N=C=O Amb24478553 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.1 C[C@H](CCO)CO Amb22225176 [1,0,0,0,0,0|0,0,1]=2 500 B6R0.1 C[C@H](CO)CC#N Amb25662541 [1,0,0,0,0,0|1,0,1]=3 501 B6R0.1 C[C@H](CO)CC=C Amb25026058 [1,0,0,0,0,0|1,0,0]=2 502 B6R0.1 C[C@H](CO)CCCl Amb25848484 [1,0,0,0,0,0|1,0,1]=3 503 B6R0.1 C[C@H](CO)CCN Amb25663130 [1,0,0,0,0,0|1,0,1]=3 504 B6R0.1 C\C(\CBr)=C\C=O Amb18645750 [1,0,0,0,0,0|1,0,2]=4 505 B6R0.1 C\C(\CC)=C\C=O Amb18120877 [1,0,0,0,0,0|1,0,2]=4 506 B6R0.1 C\C(\CCl)=C\C=O Amb25326191 [1,0,0,0,0,0|1,0,2]=4 507 B6R0.1 C\C(\CO)=C/C=O Amb24417925 [1,0,0,0,0,0|0,0,2]=3 508 B6R0.1 C\C(\CO)=C\C=C Amb25229626 [1,0,0,0,0,0|1,0,2]=4 509 B6R0.1 C\C=C(/C)\CC=O Amb18120886 [1,0,0,0,0,0|1,0,2]=4 510 B6R0.1 C\C=C\C(C)CC Amb22232014 [1,0,0,0,0,0|2,0,1]=4 511 B6R0.1 C\C=C\C(C)CN Amb24479862 [1,0,0,0,0,0|2,0,1]=4 512 B6R0.1 C\C=C\C(N)CO Amb25702422 [1,0,0,0,0,0|2,0,1]=4 513 B6R0.1 C\C=C\[C@H](C)CO Amb25381306 [1,0,0,0,0,0|1,0,1]=3 514 B6R0.1 N#CCC(O)CO Amb18121438 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.1 N#CC[C@@H](O)CO Amb22799663 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.1 NC(CO)CC#N Amb24332739 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.1 NC(CO)CCF Amb25259782 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.1 NC(CO)CCS Amb24606897 [1,0,0,0,0,0|1,1,1]=4 519 B6R0.1 NC(CS)CCO Amb25083064 [1,0,0,0,0,0|1,1,1]=4 520 B6R0.1 NCC(N)CCO Amb19514523 [1,0,0,0,0,0|2,0,1]=4 521 B6R0.1 NCC(O)CCO Amb22011571 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.1 NCCC(CC)C Amb10607691 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.1 NCCC(CO)C Amb17506270 [1,0,0,0,0,0|1,0,1]=3 524 B6R0.1 NCCC(N)CO Amb24479824 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.1 NCCC(O)CO Amb22232096 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.1 NCC[C@H](O)CO Amb25804401 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.1 NC[C@@H](N)CCO Amb19514529 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.1 NC[C@H](N)CCO Amb25115256 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.1 NNC[C@H](O)CO Amb24363574 [1,0,0,0,0,0|3,0,0]=4 530 B6R0.1 NOCC(O)CO Amb24397160 [1,0,0,0,0,0|3,0,0]=4 531 B6R0.1 NOC[C@H](O)CO Amb25357185 [1,0,0,0,0,0|3,0,0]=4 532 B6R0.1 N[C@H](CS)CCO Amb25691951 [1,0,0,0,0,0|1,1,1]=4 533 B6R0.1 O=CC(S)CC=O Amb25768520 [1,0,0,0,0,0|1,0,2]=4 534 B6R0.1 O=CCC(Br)CBr Amb24671080 [1,0,0,0,0,0|2,0,0]=3 535 B6R0.1 OC(CO)\C=C\Br Amb25744914 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.1 OCC(=O)CCO Amb24061314 [1,0,0,0,0,0|1,0,2]=4 537 B6R0.1 OCC(Cl)CCCl Amb25147435 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.1 OCC(Cl)CCO Amb24441411 [1,0,0,0,0,0|1,0,1]=3 539 B6R0.1 OCC(O)CC=O Amb25243032 [1,0,0,0,0,0|1,0,0]=2 540 B6R0.1 OCC(O)CCBr Amb24425994 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.1 OCC(O)CCCl Amb24120400 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.1 OCC(O)CCI Amb25210906 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.1 OCC(O)CNO Amb25026456 [1,0,0,0,0,0|2,0,0]=3 544 B6R0.1 OCCC(=O)CO Amb10603377 [1,0,0,0,0,0|1,0,2]=4 545 B6R0.1 OCCC(CN)C Amb17506271 [1,0,0,0,0,0|1,0,1]=3 546 B6R0.1 OCCC(Cl)CCl Amb25147506 [1,0,0,0,0,0|2,0,1]=4 547 B6R0.1 OCCC(O)CCl Amb25361069 [1,0,0,0,0,0|2,0,1]=4 548 B6R0.1 OCC[C@H](CO)O Amb10071064 [1,0,0,0,0,0|1,0,1]=3 549 B6R0.1 OCC[C@H](O)CCl Amb25714009 [1,0,0,0,0,0|2,0,1]=4 550 B6R0.1 OC[C@H](Br)CCO Amb25697346 [1,0,0,0,0,0|1,0,1]=3 551 B6R0.1 OC[C@H](O)CC=O Amb24595645 [1,0,0,0,0,0|1,0,0]=2 552 B6R0.1 OC[C@H](O)CCBr Amb25065286 [1,0,0,0,0,0|2,0,1]=4 553 B6R0.1 O[C@@H](CC=O)C=O Amb25169555 [1,0,0,0,0,0|1,0,2]=4 554 B6R0.1 O[C@@H](CCl)CC=O Amb25824190 [1,0,0,0,0,0|2,0,0]=3 555 B6R0.1 O[C@H](CC=O)C=O Amb25373324 [1,0,0,0,0,0|1,0,2]=4 556 B6R0.2 C=C(Br)CC(O)=O Amb24479176 [1,0,0,0,0,0|1,0,2]=4 557 B6R0.2 CC(=C)CC(=O)C Amb17593075 [1,0,0,0,0,0|1,0,2]=4 558 B6R0.2 CC(=C)CN(C)C Amb25747292 [1,0,0,0,0,0|3,0,0]=4 559 B6R0.2 CC(=CC(=O)N)C Amb10561758 [1,0,0,0,0,0|1,0,2]=4 560 B6R0.2 CC(=CC(=O)O)C Amb1485519 [1,0,0,0,0,0|0,0,2]=3 561 B6R0.2 CC(=N)CC(N)=O Amb25259783 [1,0,0,0,0,0|2,0,1]=4 562 B6R0.2 CC(=O)C=S(C)C Amb25370005 [1,0,0,0,0,0|2,0,1]=4 563 B6R0.2 CC(=O)CC(=O)Br Amb24422459 [1,0,0,0,0,0|1,0,2]=4 564 B6R0.2 CC(=O)CC(C)=N Amb22345922 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.2 CC(=O)CC(C)=O Amb22727963 [1,0,0,0,0,0|1,0,2]=4 566 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [1,0,0,0,0,0|1,0,1]=3 567 B6R0.2 CC(=O)CC(C)[O-] Amb22729909 [1,0,0,0,0,0|1,0,1]=3 568 B6R0.2 CC(=O)CC(Cl)Cl Amb24476084 [1,0,0,0,0,0|3,0,0]=4 569 B6R0.2 CC(=O)CC(F)F Amb24669174 [1,0,0,0,0,0|3,0,0]=4 570 B6R0.2 CC(=O)CC(O)=O Amb22348460 [1,0,0,0,0,0|0,0,2]=3 571 B6R0.2 CC(=O)CC(O)=S Amb24689856 [1,0,0,0,0,0|0,1,2]=4 572 B6R0.2 CC(=O)CC(O)O Amb25273111 [1,0,0,0,0,0|2,0,0]=3 573 B6R0.2 CC(=O)CC([O-])=O Amb22265051 [1,0,0,0,0,0|0,0,3]=4 574 B6R0.2 CC(=O)CS(C)=O Amb25025354 [1,0,0,0,0,0|2,0,1]=4 575 B6R0.2 CC(=O)C[S+](C)C Amb24614662 [1,0,0,0,0,0|2,0,0]=3 576 B6R0.2 CC(=O)NN(C)C Amb25064806 [1,0,0,0,0,0|3,0,0]=4 577 B6R0.2 CC(=S)CC(N)=O Amb24479846 [1,0,0,0,0,0|1,1,1]=4 578 B6R0.2 CC(Br)=CC(O)=O Amb25347173 [1,0,0,0,0,0|1,0,2]=4 579 B6R0.2 CC(Br)CC(C)=C Amb24365286 [1,0,0,0,0,0|3,0,0]=4 580 B6R0.2 CC(Br)CC(C)O Amb25139315 [1,0,0,0,0,0|2,0,1]=4 581 B6R0.2 CC(Br)CC(N)=N Amb25700372 [1,0,0,0,0,0|3,0,0]=4 582 B6R0.2 CC(Br)CC(N)=O Amb24635749 [1,0,0,0,0,0|2,0,0]=3 583 B6R0.2 CC(Br)OC(C)=O Amb19958925 [1,0,0,0,0,0|3,0,0]=4 584 B6R0.2 CC(C)=NC(N)=O Amb24682478 [1,0,0,0,0,0|2,0,1]=4 585 B6R0.2 CC(C)C=C(Br)Br Amb24736609 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.2 CC(C)CC(=C)Br Amb22583739 [1,0,0,0,0,0|2,0,0]=3 587 B6R0.2 CC(C)CC(C)C Amb22045157 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.2 CC(C)CC(C)I Amb25783778 [1,0,0,0,0,0|2,0,1]=4 589 B6R0.2 CC(C)CC(Cl)Br Amb24634052 [1,0,0,0,0,0|2,0,1]=4 590 B6R0.2 CC(C)CC(Cl)Cl Amb17689252 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.2 CC(C)CC([O-])=O Amb22732147 [1,0,0,0,0,0|0,0,1]=2 592 B6R0.2 CC(C)CC([O-])=O Amb22732282 [1,0,0,0,0,0|0,0,1]=2 593 B6R0.2 CC(C)CC([O-])=O Amb22734041 [1,0,0,0,0,0|0,0,1]=2 594 B6R0.2 CC(C)CC([O-])=O Amb22734425 [1,0,0,0,0,0|0,0,1]=2 595 B6R0.2 CC(C)CN(C)N Amb25339332 [1,0,0,0,0,0|3,0,0]=4 596 B6R0.2 CC(C)CS(N)=O Amb24527860 [1,0,0,0,0,0|2,0,0]=3 597 B6R0.2 CC(C)CS([O-])=O Amb19930010 [1,0,0,0,0,0|1,0,1]=3 598 B6R0.2 CC(C)C[13C](O)=O Amb22336513 [1,0,0,0,0,0|0,0,0]=1 599 B6R0.2 CC(C)C[13C]([O-])=O Amb22336662 [1,0,0,0,0,0|0,0,1]=2 600 B6R0.2 CC(C)C[Al](Cl)Cl Amb22353406 [1,0,0,0,0,0|3,0,0]=4 601 B6R0.2 CC(C)C[N+]([O-])=O Amb17672613 [1,0,0,0,0,0|1,0,1]=3 602 B6R0.2 CC(C)C[SiH](Cl)Cl Amb25143964 [1,0,0,0,0,0|2,1,0]=4 603 B6R0.2 CC(C)NC(=O)F Amb24567697 [1,0,0,0,0,0|2,0,0]=3 604 B6R0.2 CC(C)NC(C)=C Amb25746179 [1,0,0,0,0,0|3,0,0]=4 605 B6R0.2 CC(C)NC(C)=N Amb25711699 [1,0,0,0,0,0|3,0,0]=4 606 B6R0.2 CC(C)NC(C)O Amb25662502 [1,0,0,0,0,0|2,0,1]=4 607 B6R0.2 CC(C)NC(N)=N Amb24271074 [1,0,0,0,0,0|3,0,0]=4 608 B6R0.2 CC(C)NC(S)=S Amb24761419 [1,0,0,0,0,0|1,2,0]=4 609 B6R0.2 CC(C)OC(=C)O Amb24086570 [1,0,0,0,0,0|2,0,0]=3 610 B6R0.2 CC(C)OC(C)=S Amb24697607 [1,0,0,0,0,0|2,1,0]=4 611 B6R0.2 CC(C)OC(N)=S Amb25732665 [1,0,0,0,0,0|2,1,0]=4 612 B6R0.2 CC(C)OC(S)=S Amb22274297 [1,0,0,0,0,0|1,2,0]=4 613 B6R0.2 CC(C)OC(S)=S Amb24465791 [1,0,0,0,0,0|1,2,0]=4 614 B6R0.2 CC(C)OC([S-])=S Amb19748282 [1,0,0,0,0,0|1,2,0]=4 615 B6R0.2 CC(C)OC([S-])=S Amb22729007 [1,0,0,0,0,0|1,2,0]=4 616 B6R0.2 CC(C)OP(C)=O Amb24592794 [1,0,0,0,0,0|3,0,0]=4 617 B6R0.2 CC(C)SC(=O)Cl Amb22352802 [1,0,0,0,0,0|2,0,0]=3 618 B6R0.2 CC(C)SC(N)=N Amb22369433 [1,0,0,0,0,0|3,0,0]=4 619 B6R0.2 CC(C)SC(N)=O Amb24461669 [1,0,0,0,0,0|2,0,0]=3 620 B6R0.2 CC(CC(=C)C)O Amb17593083 [1,0,0,0,0,0|2,0,0]=3 621 B6R0.2 CC(CC(=N)N)C Amb10066934 [1,0,0,0,0,0|2,0,0]=3 622 B6R0.2 CC(CC(=O)C)Cl Amb17593234 [1,0,0,0,0,0|2,0,0]=3 623 B6R0.2 CC(CC(=O)C)N Amb2583230 [1,0,0,0,0,0|2,0,0]=3 624 B6R0.2 CC(CC(=O)C)O Amb17593091 [1,0,0,0,0,0|1,0,0]=2 625 B6R0.2 CC(CC(Cl)C)O Amb17593253 [1,0,0,0,0,0|2,0,1]=4 626 B6R0.2 CC(CC(N)C)C Amb1121431 [1,0,0,0,0,0|2,0,1]=4 627 B6R0.2 CC(CC(O)C)O Amb10068523 [1,0,0,0,0,0|1,0,1]=3 628 B6R0.2 CC(CN(C)C)C Amb17231805 [1,0,0,0,0,0|3,0,0]=4 629 B6R0.2 CC(Cl)CC(C)=C Amb24558200 [1,0,0,0,0,0|3,0,0]=4 630 B6R0.2 CC(Cl)CP(O)O Amb25061243 [1,0,0,0,0,0|2,0,1]=4 631 B6R0.2 CC(Cl)NC(=O)Cl Amb24480662 [1,0,0,0,0,0|3,0,0]=4 632 B6R0.2 CC(Cl)OC(C)=O Amb24058273 [1,0,0,0,0,0|3,0,0]=4 633 B6R0.2 CC(Cl)OC(N)=O Amb24372683 [1,0,0,0,0,0|3,0,0]=4 634 B6R0.2 CC(Cl)SC(C)=O Amb24625146 [1,0,0,0,0,0|3,0,0]=4 635 B6R0.2 CC(F)=CC(O)=O Amb24676595 [1,0,0,0,0,0|1,0,2]=4 636 B6R0.2 CC(F)CC(O)=O Amb24561809 [1,0,0,0,0,0|1,0,0]=2 637 B6R0.2 CC(F)C[N+]([O-])=O Amb25024317 [1,0,0,0,0,0|2,0,1]=4 638 B6R0.2 CC(I)=CC(O)=O Amb24668934 [1,0,0,0,0,0|1,0,2]=4 639 B6R0.2 CC(I)CC(C)O Amb25743469 [1,0,0,0,0,0|2,0,1]=4 640 B6R0.2 CC(I)CC(N)=O Amb25783800 [1,0,0,0,0,0|2,0,0]=3 641 B6R0.2 CC(N)=CC(O)=O Amb25856437 [1,0,0,0,0,0|1,0,2]=4 642 B6R0.2 CC(N)CC(=O)Cl Amb25830663 [1,0,0,0,0,0|2,0,0]=3 643 B6R0.2 CC(N)CC(C)=C Amb25064223 [1,0,0,0,0,0|3,0,0]=4 644 B6R0.2 CC(N)CC(C)=O Amb22587050 [1,0,0,0,0,0|2,0,0]=3 645 B6R0.2 CC(N)CC(N)=N Amb25051498 [1,0,0,0,0,0|3,0,0]=4 646 B6R0.2 CC(N)CC(N)=O Amb18281237 [1,0,0,0,0,0|2,0,0]=3 647 B6R0.2 CC(N)CC(N)=S Amb25198821 [1,0,0,0,0,0|2,1,0]=4 648 B6R0.2 CC(N)CC(O)=O Amb19888354 [1,0,0,0,0,0|1,0,0]=2 649 B6R0.2 CC(NC(=O)N)C Amb1104587 [1,0,0,0,0,0|2,0,0]=3 650 B6R0.2 CC(NC(=S)N)C Amb1152626 [1,0,0,0,0,0|2,1,0]=4 651 B6R0.2 CC(O)=CC(O)O Amb24431523 [1,0,0,0,0,0|2,0,1]=4 652 B6R0.2 CC(O)C=C(C)C Amb22229846 [1,0,0,0,0,0|2,0,1]=4 653 B6R0.2 CC(O)C=C(Cl)Cl Amb25801932 [1,0,0,0,0,0|2,0,1]=4 654 B6R0.2 CC(O)CC(=C)Br Amb24618620 [1,0,0,0,0,0|2,0,0]=3 655 B6R0.2 CC(O)CC(C)N Amb18640217 [1,0,0,0,0,0|2,0,1]=4 656 B6R0.2 CC(O)CC(N)=S Amb24479794 [1,0,0,0,0,0|1,1,0]=3 657 B6R0.2 CC(O)CC(O)=O Amb22348403 [1,0,0,0,0,0|0,0,0]=1 658 B6R0.2 CC(O)CC(O)O Amb25716084 [1,0,0,0,0,0|0,0,2]=3 659 B6R0.2 CC(O)CC(S)=S Amb25215114 [1,0,0,0,0,0|0,2,0]=3 660 B6R0.2 CC(O)CP(O)=O Amb24406357 [1,0,0,0,0,0|1,0,0]=2 661 B6R0.2 CC(O)NC(N)=N Amb24736099 [1,0,0,0,0,0|3,0,0]=4 662 B6R0.2 CC(O)NC(N)=O Amb25811550 [1,0,0,0,0,0|2,0,0]=3 663 B6R0.2 CC(O)OC(C)O Amb25662319 [1,0,0,0,0,0|2,0,1]=4 664 B6R0.2 CC(O)OC(N)=O Amb24669632 [1,0,0,0,0,0|2,0,0]=3 665 B6R0.2 CC(O)SC(C)=O Amb24544015 [1,0,0,0,0,0|2,0,0]=3 666 B6R0.2 CC(O)\C=C(\C)/S Amb25800756 [1,0,0,0,0,0|1,1,1]=4 667 B6R0.2 CC(OC(=S)[S-])C Amb2371664 [1,0,0,0,0,0|1,2,0]=4 668 B6R0.2 CC(O[N+](=O)[O-])C Amb2447326 [1,0,0,0,0,0|2,0,1]=4 669 B6R0.2 CC(P)CC(C)O Amb25792365 [1,0,0,0,0,0|2,0,1]=4 670 B6R0.2 CC(S)CC(C)=O Amb24600676 [1,0,0,0,0,0|1,1,0]=3 671 B6R0.2 CC(S)CC(C)O Amb24122653 [1,0,0,0,0,0|1,1,1]=4 672 B6R0.2 CC(S)CC(N)=O Amb24479823 [1,0,0,0,0,0|1,1,0]=3 673 B6R0.2 CC(S)CC(O)=O Amb18281031 [1,0,0,0,0,0|0,1,0]=2 674 B6R0.2 CC(SC(=N)N)C Amb1093763 [1,0,0,0,0,0|3,0,0]=4 675 B6R0.2 CN(Br)CC(O)=O Amb25745878 [1,0,0,0,0,0|2,0,0]=3 676 B6R0.2 CN(C)CB(O)O Amb25131560 [1,0,0,0,0,0|2,0,1]=4 677 B6R0.2 CN(C)CC(=C)Br Amb24699168 [1,0,0,0,0,0|3,0,0]=4 678 B6R0.2 CN(C)CC(=O)Cl Amb22732502 [1,0,0,0,0,0|2,0,0]=3 679 B6R0.2 CN(C)CC(N)=S Amb19373088 [1,0,0,0,0,0|2,1,0]=4 680 B6R0.2 CN(C)CC(O)O Amb25226405 [1,0,0,0,0,0|1,0,2]=4 681 B6R0.2 CN(C)CC(O)S Amb24610156 [1,0,0,0,0,0|1,1,1]=4 682 B6R0.2 CN(C)CC([O-])=O Amb22002291 [1,0,0,0,0,0|1,0,1]=3 683 B6R0.2 CN(C)CS(O)=O Amb25376029 [1,0,0,0,0,0|2,0,0]=3 684 B6R0.2 CN(C)C[SiH](O)O Amb25811267 [1,0,0,0,0,0|1,1,1]=4 685 B6R0.2 CN(C)NC(N)=O Amb24325231 [1,0,0,0,0,0|3,0,0]=4 686 B6R0.2 CN(CC(=N)N)C Amb10610521 [1,0,0,0,0,0|3,0,0]=4 687 B6R0.2 CN(CC(=N)N)C Amb10610536 [1,0,0,0,0,0|3,0,0]=4 688 B6R0.2 CN(CC(=O)N)C Amb17231806 [1,0,0,0,0,0|2,0,0]=3 689 B6R0.2 CN(CC(=S)N)C Amb16232219 [1,0,0,0,0,0|2,1,0]=4 690 B6R0.2 CN(C[C@@H](O)C)C Amb10844893 [1,0,0,0,0,0|2,0,1]=4 691 B6R0.2 CN(Cl)CC(O)=O Amb24455857 [1,0,0,0,0,0|2,0,0]=3 692 B6R0.2 CN(N)CC(O)=O Amb23592296 [1,0,0,0,0,0|2,0,0]=3 693 B6R0.2 CN(O)CC(O)=O Amb24732008 [1,0,0,0,0,0|1,0,0]=2 694 B6R0.2 CS(=O)CC(N)=O Amb24394100 [1,0,0,0,0,0|2,0,1]=4 695 B6R0.2 CS(=O)CC(O)=O Amb18957960 [1,0,0,0,0,0|1,0,1]=3 696 B6R0.2 CS(C)=CC(O)=O Amb25717234 [1,0,0,0,0,0|1,0,1]=3 697 B6R0.2 C[13CH](O)C[13C]([O-])=O Amb22338641 [1,0,0,0,0,0|0,0,1]=2 698 B6R0.2 C[C@@H](CC(=O)O)N Amb16184012 [1,0,0,0,0,0|1,0,0]=2 699 B6R0.2 C[C@@H](Cl)CC(=O)Cl Amb25321802 [1,0,0,0,0,0|2,0,0]=3 700 B6R0.2 C[C@@H](N)CC(N)=O Amb25789836 [1,0,0,0,0,0|2,0,0]=3 701 B6R0.2 C[C@@H](O)C=C(C)C Amb25700154 [1,0,0,0,0,0|2,0,1]=4 702 B6R0.2 C[C@@H](O)CC(=C)Br Amb25045702 [1,0,0,0,0,0|2,0,0]=3 703 B6R0.2 C[C@@H](O)CC(C)O Amb25083401 [1,0,0,0,0,0|1,0,1]=3 704 B6R0.2 C[C@@H](O)CC(N)=O Amb25746564 [1,0,0,0,0,0|1,0,0]=2 705 B6R0.2 C[C@@H](O)CN(C)C Amb22746407 [1,0,0,0,0,0|2,0,1]=4 706 B6R0.2 C[C@@H](O)C[C@@H](C)N Amb24568258 [1,0,0,0,0,0|2,0,1]=4 707 B6R0.2 C[C@@H](O)C[C@H](C)N Amb24479559 [1,0,0,0,0,0|2,0,1]=4 708 B6R0.2 C[C@@H](S)CC(O)=O Amb24480921 [1,0,0,0,0,0|0,1,0]=2 709 B6R0.2 C[C@H](Br)CC(O)=O Amb24432019 [1,0,0,0,0,0|1,0,0]=2 710 B6R0.2 C[C@H](CC(=O)O)N Amb16184009 [1,0,0,0,0,0|1,0,0]=2 711 B6R0.2 C[C@H](Cl)CC(=O)Cl Amb25053837 [1,0,0,0,0,0|2,0,0]=3 712 B6R0.2 C[C@H](Cl)CC(O)=O Amb25259323 [1,0,0,0,0,0|1,0,0]=2 713 B6R0.2 C[C@H](F)CC(O)=O Amb24586490 [1,0,0,0,0,0|1,0,0]=2 714 B6R0.2 C[C@H](O)C=C(C)C Amb24734239 [1,0,0,0,0,0|2,0,1]=4 715 B6R0.2 C[C@H](O)CC(C)=O Amb24334071 [1,0,0,0,0,0|1,0,0]=2 716 B6R0.2 C[C@H](O)CC(C)N Amb25835759 [1,0,0,0,0,0|2,0,1]=4 717 B6R0.2 C[C@H](O)CC(C)O Amb25381310 [1,0,0,0,0,0|1,0,1]=3 718 B6R0.2 C[C@H](O)CC(O)=O Amb22232025 [1,0,0,0,0,0|0,0,0]=1 719 B6R0.2 C[C@H](O)C[C@@H](C)N Amb24351024 [1,0,0,0,0,0|2,0,1]=4 720 B6R0.2 C[C@H](O)C[C@H](C)O Amb20242416 [1,0,0,0,0,0|1,0,1]=3 721 B6R0.2 C[C@H](S)CC(O)=O Amb25190038 [1,0,0,0,0,0|0,1,0]=2 722 B6R0.2 C[NH+](C)CC(=O)Cl Amb24113885 [1,0,0,0,0,0|2,0,0]=3 723 B6R0.2 C[NH+](C)CC(O)=O Amb24113881 [1,0,0,0,0,0|1,0,0]=2 724 B6R0.2 C\C(\Br)=C\C(O)=O Amb25662428 [1,0,0,0,0,0|1,0,2]=4 725 B6R0.2 C\C(\Cl)=C/C(O)=O Amb18123483 [1,0,0,0,0,0|1,0,2]=4 726 B6R0.2 C\C(\Cl)=C\C(O)=O Amb23556468 [1,0,0,0,0,0|1,0,2]=4 727 B6R0.2 C\C(\I)=C\C(O)=O Amb24741877 [1,0,0,0,0,0|1,0,2]=4 728 B6R0.2 C\C(\O)=C\C(C)=O Amb22034390 [1,0,0,0,0,0|1,0,2]=4 729 B6R0.2 N=C(Cl)CC(O)=O Amb25796071 [1,0,0,0,0,0|2,0,1]=4 730 B6R0.2 NC(=O)CC(Cl)Cl Amb24479899 [1,0,0,0,0,0|3,0,0]=4 731 B6R0.2 NC(=O)CC(O)O Amb25810087 [1,0,0,0,0,0|2,0,0]=3 732 B6R0.2 NC(F)CC(O)=O Amb24479804 [1,0,0,0,0,0|2,0,0]=3 733 B6R0.2 N[C@@H](CC(=O)O)O Amb16232006 [1,0,0,0,0,0|1,0,0]=2 734 B6R0.2 N[C@@H](F)CC(O)=O Amb25854307 [1,0,0,0,0,0|2,0,0]=3 735 B6R0.2 O=C(Cl)CC(Cl)Cl Amb24478549 [1,0,0,0,0,0|3,0,0]=4 736 B6R0.2 OB(CC(C)C)O Amb2447316 [1,0,0,0,0,0|1,0,1]=3 737 B6R0.2 OB(O)CC(O)=O Amb24053058 [1,0,0,0,0,0|2,0,0]=3 738 B6R0.2 OC(=O)CC(=S)N Amb17465742 [1,0,0,0,0,0|1,1,1]=4 739 B6R0.2 OC(=O)CC(F)Br Amb25336987 [1,0,0,0,0,0|2,0,0]=3 740 B6R0.2 OC(=O)CC(F)F Amb22001551 [1,0,0,0,0,0|2,0,0]=3 741 B6R0.2 OC(=O)CC(O)=O Amb21935659 [1,0,0,0,0,0|1,0,1]=3 742 B6R0.2 OC(=O)CC(O)=O Amb22230690 [1,0,0,0,0,0|1,0,1]=3 743 B6R0.2 OC(=O)CC(O)=O Amb22230927 [1,0,0,0,0,0|1,0,1]=3 744 B6R0.2 OC(=O)CN(Cl)Cl Amb25133084 [1,0,0,0,0,0|3,0,0]=4 745 B6R0.2 OC(=O)[13CH2]C(O)=O Amb22337806 [1,0,0,0,0,0|1,0,1]=3 746 B6R0.2 O[13C](=O)C[13C](O)=O Amb22353218 [1,0,0,0,0,0|1,0,1]=3 747 B6R0.2 O[13C](=O)[13CH2][13C](O)=O Amb22363192 [1,0,0,0,0,0|1,0,1]=3 748 B6R0.2 O[14C](=O)O[14C](O)=O Amb22362831 [1,0,0,0,0,0|2,0,1]=4 749 B6R0.2 [13CH3]C(O)[13CH2]C([O-])=O Amb22351144 [1,0,0,0,0,0|0,0,1]=2 750 B6R0.2 [BH3-][S+](C)CC(O)=O Amb24480870 [1,0,0,0,0,0|2,0,0]=3 751 B6R0.2 [O-]C(=O)CC(F)F Amb24117960 [1,0,0,0,0,0|2,0,1]=4 752 B6R0.2 [O-]C(=O)C[C@@H](O)C Amb10844672 [1,0,0,0,0,0|0,0,1]=2 753 B6R0.4 BC(=O)OCCCl Amb25199831 [1,0,0,0,0,0|3,0,0]=4 754 B6R0.4 C#CCCC(N)=O Amb18636026 [1,0,0,0,0,0|2,0,1]=4 755 B6R0.4 C#CCCC([O-])=O Amb22232009 [1,0,0,0,0,0|1,0,2]=4 756 B6R0.4 C=C(Cl)CCCBr Amb25811643 [1,0,0,0,0,0|3,0,0]=4 757 B6R0.4 C=C(Cl)CCCCl Amb24635037 [1,0,0,0,0,0|3,0,0]=4 758 B6R0.4 C=C(F)CCCO Amb25811029 [1,0,0,0,0,0|2,0,0]=3 759 B6R0.4 C=C(I)CCCN Amb24581029 [1,0,0,0,0,0|3,0,0]=4 760 B6R0.4 C=NCCC(O)=O Amb24480865 [1,0,0,0,0,0|2,0,0]=3 761 B6R0.4 CC#CCC(O)=O Amb17939740 [1,0,0,0,0,0|1,0,2]=4 762 B6R0.4 CC(=C)CCCBr Amb22886717 [1,0,0,0,0,0|3,0,0]=4 763 B6R0.4 CC(=C)CCCCl Amb24089299 [1,0,0,0,0,0|3,0,0]=4 764 B6R0.4 CC(=C)CCCN Amb24761452 [1,0,0,0,0,0|3,0,0]=4 765 B6R0.4 CC(=C)CCCO Amb22886814 [1,0,0,0,0,0|2,0,0]=3 766 B6R0.4 CC(=C)NCCO Amb25127040 [1,0,0,0,0,0|3,0,0]=4 767 B6R0.4 CC(=O)CC=NO Amb25024487 [1,0,0,0,0,0|2,0,1]=4 768 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|1,0,2]=4 769 B6R0.4 CC(=O)CCC=S Amb25662155 [1,0,0,0,0,0|1,1,1]=4 770 B6R0.4 CC(=O)CCCF Amb25068187 [1,0,0,0,0,0|2,0,0]=3 771 B6R0.4 CC(=O)CCCI Amb25346994 [1,0,0,0,0,0|2,0,0]=3 772 B6R0.4 CC(=O)CCCN Amb18121547 [1,0,0,0,0,0|2,0,0]=3 773 B6R0.4 CC(=O)CCON Amb25186994 [1,0,0,0,0,0|3,0,0]=4 774 B6R0.4 CC(=O)C\C=N/O Amb25066399 [1,0,0,0,0,0|2,0,1]=4 775 B6R0.4 CC(=O)N=CCO Amb24420730 [1,0,0,0,0,0|2,0,1]=4 776 B6R0.4 CC(=O)NCCF Amb25832238 [1,0,0,0,0,0|3,0,0]=4 777 B6R0.4 CC(=O)NCCI Amb25761166 [1,0,0,0,0,0|3,0,0]=4 778 B6R0.4 CC(=O)NCCN Amb1218225 [1,0,0,0,0,0|3,0,0]=4 779 B6R0.4 CC(=O)NCCS Amb22230992 [1,0,0,0,0,0|2,1,0]=4 780 B6R0.4 CC(=O)OCCF Amb25123333 [1,0,0,0,0,0|3,0,0]=4 781 B6R0.4 CC(=O)OCCI Amb17673987 [1,0,0,0,0,0|3,0,0]=4 782 B6R0.4 CC(=O)OCCN Amb18121947 [1,0,0,0,0,0|3,0,0]=4 783 B6R0.4 CC(=O)OCCP Amb25810695 [1,0,0,0,0,0|3,0,0]=4 784 B6R0.4 CC(=O)SCCBr Amb24608039 [1,0,0,0,0,0|3,0,0]=4 785 B6R0.4 CC(=O)SCCCl Amb24746776 [1,0,0,0,0,0|3,0,0]=4 786 B6R0.4 CC(=O)SCCN Amb21953963 [1,0,0,0,0,0|3,0,0]=4 787 B6R0.4 CC(=O)SCCN Amb22011516 [1,0,0,0,0,0|3,0,0]=4 788 B6R0.4 CC(=O)\C=C\CO Amb24414835 [1,0,0,0,0,0|1,0,2]=4 789 B6R0.4 CC(=S)NCCO Amb25747406 [1,0,0,0,0,0|2,1,0]=4 790 B6R0.4 CC(Br)=CCCO Amb24734140 [1,0,0,0,0,0|2,0,1]=4 791 B6R0.4 CC(C)=CCCO Amb22002283 [1,0,0,0,0,0|2,0,1]=4 792 B6R0.4 CC(I)CCCO Amb25302406 [1,0,0,0,0,0|2,0,1]=4 793 B6R0.4 CC(N)=NCCO Amb25083393 [1,0,0,0,0,0|3,0,0]=4 794 B6R0.4 CC(O)CCCCl Amb22270232 [1,0,0,0,0,0|2,0,1]=4 795 B6R0.4 CC(O)CCCF Amb24385806 [1,0,0,0,0,0|2,0,1]=4 796 B6R0.4 CC(O)CCCO Amb22227752 [1,0,0,0,0,0|1,0,1]=3 797 B6R0.4 CC(O)CCCS Amb25219256 [1,0,0,0,0,0|1,1,1]=4 798 B6R0.4 CC(O)CNCO Amb25727260 [1,0,0,0,0,0|2,0,1]=4 799 B6R0.4 CC(S)CCCO Amb24412207 [1,0,0,0,0,0|1,1,1]=4 800 B6R0.4 CCCCB(O)O Amb2447142 [1,0,0,0,0,0|2,0,1]=4 801 B6R0.4 CCCCC(=C)Br Amb22583744 [1,0,0,0,0,0|3,0,0]=4 802 B6R0.4 CCCCC(=N)N Amb10066937 [1,0,0,0,0,0|3,0,0]=4 803 B6R0.4 CCCCC(=O)Br Amb22730323 [1,0,0,0,0,0|2,0,0]=3 804 B6R0.4 CCCCC(N)O Amb24479887 [1,0,0,0,0,0|2,0,1]=4 805 B6R0.4 CCCCC(O)=S Amb24682342 [1,0,0,0,0,0|1,1,0]=3 806 B6R0.4 CCCCC(O)O Amb24687253 [1,0,0,0,0,0|1,0,2]=4 807 B6R0.4 CCCCC(O)S Amb24480485 [1,0,0,0,0,0|1,1,1]=4 808 B6R0.4 CCCCC([O-])=O Amb19879370 [1,0,0,0,0,0|1,0,1]=3 809 B6R0.4 CCCCC([O-])=O Amb22056343 [1,0,0,0,0,0|1,0,1]=3 810 B6R0.4 CCCCC([O-])=O Amb22729192 [1,0,0,0,0,0|1,0,1]=3 811 B6R0.4 CCCCC([O-])=O Amb22731639 [1,0,0,0,0,0|1,0,1]=3 812 B6R0.4 CCCCS(=O)Cl Amb24551332 [1,0,0,0,0,0|3,0,0]=4 813 B6R0.4 CCCCS([O-])=O Amb19889352 [1,0,0,0,0,0|2,0,1]=4 814 B6R0.4 CCCC[13C](O)=O Amb22367454 [1,0,0,0,0,0|1,0,0]=2 815 B6R0.4 CCCC[C@@H](C)O Amb19929139 [1,0,0,0,0,0|2,0,1]=4 816 B6R0.4 CCCC[Sn](=O)S Amb22730994 [1,0,0,0,0,0|2,1,0]=4 817 B6R0.4 CCCC[Sn](O)=O Amb22336393 [1,0,0,0,0,0|2,0,0]=3 818 B6R0.4 CCCNC(=O)Cl Amb25688616 [1,0,0,0,0,0|3,0,0]=4 819 B6R0.4 CCCNC(=O)N Amb1152241 [1,0,0,0,0,0|3,0,0]=4 820 B6R0.4 CCCNC(O)=S Amb25302945 [1,0,0,0,0,0|2,1,0]=4 821 B6R0.4 CCCOC(=O)Cl Amb10604123 [1,0,0,0,0,0|3,0,0]=4 822 B6R0.4 CCCOP(O)=O Amb25366595 [1,0,0,0,0,0|3,0,0]=4 823 B6R0.4 CCCSC(C)=O Amb22043301 [1,0,0,0,0,0|3,0,0]=4 824 B6R0.4 CCNCC(=O)N Amb1128676 [1,0,0,0,0,0|3,0,0]=4 825 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|2,0,0]=3 826 B6R0.4 CCNCC(C)=O Amb24545893 [1,0,0,0,0,0|3,0,0]=4 827 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|2,0,0]=3 828 B6R0.4 CCSCC(N)=O Amb24420234 [1,0,0,0,0,0|3,0,0]=4 829 B6R0.4 CC\C=C/C(O)=O Amb22230421 [1,0,0,0,0,0|1,0,2]=4 830 B6R0.4 CN(N)CCCO Amb25236057 [1,0,0,0,0,0|3,0,0]=4 831 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|2,0,0]=3 832 B6R0.4 CNCCC(C)=O Amb24560306 [1,0,0,0,0,0|3,0,0]=4 833 B6R0.4 CNCCC(N)=O Amb19959913 [1,0,0,0,0,0|3,0,0]=4 834 B6R0.4 CNNCC(O)=O Amb21929288 [1,0,0,0,0,0|3,0,0]=4 835 B6R0.4 CNOCC(O)=O Amb25104714 [1,0,0,0,0,0|3,0,0]=4 836 B6R0.4 CP(=O)OCCO Amb25221445 [1,0,0,0,0,0|3,0,0]=4 837 B6R0.4 CS(=O)CCCBr Amb24365916 [1,0,0,0,0,0|3,0,0]=4 838 B6R0.4 CS(=O)CCCN Amb18974527 [1,0,0,0,0,0|3,0,0]=4 839 B6R0.4 CSCCC(N)=O Amb24479809 [1,0,0,0,0,0|3,0,0]=4 840 B6R0.4 CSSCC(O)=O Amb25378801 [1,0,0,0,0,0|3,0,0]=4 841 B6R0.4 C[C@@H](O)CCCCl Amb22801499 [1,0,0,0,0,0|2,0,1]=4 842 B6R0.4 C[C@@H](O)CCCN Amb24479875 [1,0,0,0,0,0|2,0,1]=4 843 B6R0.4 C[C@@H](O)CCCS Amb25794939 [1,0,0,0,0,0|1,1,1]=4 844 B6R0.4 C[C@H](Cl)CCCO Amb24525158 [1,0,0,0,0,0|2,0,1]=4 845 B6R0.4 C[C@H](O)CCCCl Amb22348392 [1,0,0,0,0,0|2,0,1]=4 846 B6R0.4 C[Si](=O)CCCN Amb22351702 [1,0,0,0,0,0|2,1,0]=4 847 B6R0.4 C\C=C/CC(O)=O Amb25692581 [1,0,0,0,0,0|1,0,2]=4 848 B6R0.4 C\C=N\CC(O)=O Amb24618330 [1,0,0,0,0,0|2,0,1]=4 849 B6R0.4 ClCCCC(=O)N Amb1138237 [1,0,0,0,0,0|2,0,0]=3 850 B6R0.4 FCCCC(=O)O Amb17593104 [1,0,0,0,0,0|1,0,0]=2 851 B6R0.4 N#CCCC(=O)C Amb17334046 [1,0,0,0,0,0|2,0,1]=4 852 B6R0.4 N#CCCC(=O)Cl Amb25106570 [1,0,0,0,0,0|2,0,1]=4 853 B6R0.4 N#CNCC(O)=O Amb25173813 [1,0,0,0,0,0|2,0,1]=4 854 B6R0.4 N#CSCC(O)=O Amb24480976 [1,0,0,0,0,0|2,0,1]=4 855 B6R0.4 N=CNCC(O)=O Amb24670244 [1,0,0,0,0,0|2,0,1]=4 856 B6R0.4 NC(=N)NCCO Amb16231403 [1,0,0,0,0,0|3,0,0]=4 857 B6R0.4 NC(=N)NCCO Amb24271072 [1,0,0,0,0,0|3,0,0]=4 858 B6R0.4 NC(=N)OCCO Amb24764250 [1,0,0,0,0,0|3,0,0]=4 859 B6R0.4 NC(=N)SCCO Amb1160204 [1,0,0,0,0,0|3,0,0]=4 860 B6R0.4 NC(=O)CC=NO Amb24605273 [1,0,0,0,0,0|2,0,1]=4 861 B6R0.4 NC(=O)CCCBr Amb25779163 [1,0,0,0,0,0|2,0,0]=3 862 B6R0.4 NC(=O)CCCO Amb20623438 [1,0,0,0,0,0|1,0,0]=2 863 B6R0.4 NC(=O)CSCCl Amb25135617 [1,0,0,0,0,0|3,0,0]=4 864 B6R0.4 NC(=O)NCCO Amb1146041 [1,0,0,0,0,0|2,0,0]=3 865 B6R0.4 NC(=O)OCCBr Amb25145573 [1,0,0,0,0,0|3,0,0]=4 866 B6R0.4 NC(=O)OCCO Amb20623788 [1,0,0,0,0,0|2,0,0]=3 867 B6R0.4 NC(=S)CCCF Amb24667655 [1,0,0,0,0,0|2,1,0]=4 868 B6R0.4 NC(=S)NCCO Amb19515723 [1,0,0,0,0,0|2,1,0]=4 869 B6R0.4 NC(=S)OCCO Amb24581246 [1,0,0,0,0,0|2,1,0]=4 870 B6R0.4 NC(N)=NCCO Amb19374418 [1,0,0,0,0,0|3,0,0]=4 871 B6R0.4 NCC#CC(O)=O Amb25703096 [1,0,0,0,0,0|1,0,2]=4 872 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,0,0,0,0,0|2,0,0]=3 873 B6R0.4 NCCCC(=O)N Amb2099583 [1,0,0,0,0,0|2,0,0]=3 874 B6R0.4 NCCCC(=O)O Amb1935210 [1,0,0,0,0,0|1,0,0]=2 875 B6R0.4 NCCCC(Cl)=O Amb17801145 [1,0,0,0,0,0|2,0,0]=3 876 B6R0.4 NCCCC(N)=S Amb24479598 [1,0,0,0,0,0|2,1,0]=4 877 B6R0.4 NCCCC(N)O Amb25063002 [1,0,0,0,0,0|2,0,1]=4 878 B6R0.4 NCCCP(O)=O Amb22370049 [1,0,0,0,0,0|2,0,0]=3 879 B6R0.4 NCCCS(=O)=O Amb24427014 [1,0,0,0,0,0|2,0,1]=4 880 B6R0.4 NCCCS(O)=O Amb25185942 [1,0,0,0,0,0|2,0,0]=3 881 B6R0.4 NCCC[N+]([O-])=O Amb18833132 [1,0,0,0,0,0|2,0,1]=4 882 B6R0.4 NCCNC(N)=O Amb19374121 [1,0,0,0,0,0|3,0,0]=4 883 B6R0.4 NCCOC(N)=O Amb22059480 [1,0,0,0,0,0|3,0,0]=4 884 B6R0.4 NCCOC(N)=O Amb24271076 [1,0,0,0,0,0|3,0,0]=4 885 B6R0.4 NCCOS(O)=O Amb25843211 [1,0,0,0,0,0|3,0,0]=4 886 B6R0.4 NC\C=C/C(O)=O Amb24117018 [1,0,0,0,0,0|1,0,2]=4 887 B6R0.4 NC\C=C\C(O)=O Amb18639655 [1,0,0,0,0,0|1,0,2]=4 888 B6R0.4 NC\C=C\C(O)=O Amb24325004 [1,0,0,0,0,0|1,0,2]=4 889 B6R0.4 NNCCC(N)=O Amb24406769 [1,0,0,0,0,0|3,0,0]=4 890 B6R0.4 NOCCC(=O)O Amb17569891 [1,0,0,0,0,0|2,0,0]=3 891 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,0,0,0,0,0|2,0,0]=3 892 B6R0.4 O=C(Br)CCCCl Amb25146320 [1,0,0,0,0,0|2,0,0]=3 893 B6R0.4 O=C(Cl)NCCCl Amb24479815 [1,0,0,0,0,0|3,0,0]=4 894 B6R0.4 O=C(Cl)OCCF Amb21618836 [1,0,0,0,0,0|3,0,0]=4 895 B6R0.4 O=C(Cl)SCCCl Amb25272444 [1,0,0,0,0,0|3,0,0]=4 896 B6R0.4 O=C(S)CCCCl Amb24683280 [1,0,0,0,0,0|1,1,0]=3 897 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|1,0,2]=4 898 B6R0.4 O=S(Cl)CCCCl Amb25791632 [1,0,0,0,0,0|3,0,0]=4 899 B6R0.4 OB(O)CCCBr Amb24480413 [1,0,0,0,0,0|2,0,1]=4 900 B6R0.4 OC(=O)CCC=O Amb17673897 [1,0,0,0,0,0|0,0,2]=3 901 B6R0.4 OC(=O)CCCI Amb22295911 [1,0,0,0,0,0|1,0,0]=2 902 B6R0.4 OC(=O)CCCP Amb24717184 [1,0,0,0,0,0|1,0,0]=2 903 B6R0.4 OC(=O)CCNCl Amb24437846 [1,0,0,0,0,0|2,0,0]=3 904 B6R0.4 OC(=O)CN=C=S Amb25024397 [1,0,0,0,0,0|1,1,1]=4 905 B6R0.4 OC(=O)CSN=O Amb24368923 [1,0,0,0,0,0|2,0,1]=4 906 B6R0.4 OC(=O)C\C=C\Br Amb24511491 [1,0,0,0,0,0|1,0,2]=4 907 B6R0.4 OC(=O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,2]=4 908 B6R0.4 OC(=O)C\C=C\I Amb24507704 [1,0,0,0,0,0|1,0,2]=4 909 B6R0.4 OC(=O)\C=C\CBr Amb18646194 [1,0,0,0,0,0|1,0,2]=4 910 B6R0.4 OC(=O)\C=C\CCl Amb23399655 [1,0,0,0,0,0|1,0,2]=4 911 B6R0.4 OC(=O)\C=C\CF Amb24117236 [1,0,0,0,0,0|1,0,2]=4 912 B6R0.4 OC(=O)\C=C\CI Amb25350297 [1,0,0,0,0,0|1,0,2]=4 913 B6R0.4 OC(=O)\C=C\CS Amb18285239 [1,0,0,0,0,0|0,1,2]=4 914 B6R0.4 OCC#CC(O)=O Amb22002375 [1,0,0,0,0,0|0,0,2]=3 915 B6R0.4 OCCC=C(Cl)Cl Amb17593563 [1,0,0,0,0,0|2,0,1]=4 916 B6R0.4 OCCC=C(F)F Amb25325725 [1,0,0,0,0,0|2,0,1]=4 917 B6R0.4 OCCCC(=O)O Amb17615189 [1,0,0,0,0,0|0,0,0]=1 918 B6R0.4 OCCCC(Cl)Cl Amb25811607 [1,0,0,0,0,0|2,0,1]=4 919 B6R0.4 OCCCC(N)C Amb17569888 [1,0,0,0,0,0|2,0,1]=4 920 B6R0.4 OCCCC(O)=O Amb18640332 [1,0,0,0,0,0|0,0,0]=1 921 B6R0.4 OCCCC(O)O Amb22802459 [1,0,0,0,0,0|0,0,2]=3 922 B6R0.4 OCCNC(S)=S Amb24677548 [1,0,0,0,0,0|1,2,0]=4 923 B6R0.4 OCCNS(O)=O Amb25283153 [1,0,0,0,0,0|2,0,0]=3 924 B6R0.4 OCCOC(=O)S Amb25106059 [1,0,0,0,0,0|1,1,0]=3 925 B6R0.4 OCCOC([S-])=S Amb25846944 [1,0,0,0,0,0|1,2,0]=4 926 B6R0.4 OCCOP(O)=O Amb25739645 [1,0,0,0,0,0|2,0,0]=3 927 B6R0.4 OCCOS(=O)=O Amb24686082 [1,0,0,0,0,0|2,0,1]=4 928 B6R0.4 OCCOS(O)=O Amb17942859 [1,0,0,0,0,0|2,0,0]=3 929 B6R0.4 OCCSC(S)=S Amb25762072 [1,0,0,0,0,0|1,2,0]=4 930 B6R0.4 ON=NCC(O)=O Amb25204101 [1,0,0,0,0,0|2,0,0]=3 931 B6R0.4 ON\C=C\C(O)=O Amb25058383 [1,0,0,0,0,0|1,0,2]=4 932 B6R0.4 OP(=O)OCCCl Amb24479734 [1,0,0,0,0,0|3,0,0]=4 933 B6R0.4 O[13CH2][13CH2][13CH2][13C](O)=O Amb19132555 [1,0,0,0,0,0|0,0,0]=1 934 B6R0.4 SCCCC(=O)O Amb16185429 [1,0,0,0,0,0|0,1,0]=2 935 B6R0.4 [C-]#[N+]CCC(N)=O Amb24411954 [1,0,0,0,0,0|3,0,0]=4 936 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,0,0,0,0,0|3,0,0]=4 937 B6R0.4 [O-]C(=O)OCCBr Amb24394548 [1,0,0,0,0,0|2,0,1]=4 938 B6R0.4 [O-][N+](=O)CCCCl Amb25267487 [1,0,0,0,0,0|2,0,1]=4 939 B6R0.4 [O-][N+](=O)CCCF Amb25234942 [1,0,0,0,0,0|2,0,1]=4 940 B6R0.4 [O-][N+](=O)CCCO Amb20247690 [1,0,0,0,0,0|1,0,1]=3 941 B6R0.4 [O-][N+](=O)NCCO Amb17618377 [1,0,0,0,0,0|2,0,1]=4 942 B8R0.2 C=C(C(O)CO)C(O)=O Amb18642874 [0,1,0,0,0,0|1,0,1]=3 943 B8R0.2 C=CC(O)C(N)C(O)=O Amb18642830 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.2 C=C[C@@H](O)[C@H](N)C(O)=O Amb25111565 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.2 C=C[C@H](O)[C@H](N)C(O)=O Amb25328036 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.2 CC(=NO)C(C)C(C)=O Amb24572272 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.2 CC(=NO)C(C)C(N)=O Amb24476690 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.2 CC(=O)C(=C)C(C)CO Amb24588893 [0,1,0,0,0,0|1,0,1]=3 949 B8R0.2 CC(=O)C(=C)[C@@H](C)CO Amb25064620 [0,1,0,0,0,0|1,0,1]=3 950 B8R0.2 CC(=O)C(=O)C(O)CO Amb25830733 [0,1,0,0,0,0|2,0,1]=4 951 B8R0.2 CC(=O)C(=O)[C@@H](O)CO Amb25697046 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.2 CC(=O)C(O)C(=O)CO Amb25082771 [0,1,0,0,0,0|2,0,1]=4 953 B8R0.2 CC(=O)C(O)C(Cl)CC Amb24588006 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.2 CC(=O)[C@H](O)C(=O)CO Amb25756996 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO Amb24477828 [0,1,0,0,0,0|2,0,0]=3 956 B8R0.2 CC(C#C)C(N)C(O)=O Amb25726710 [0,1,0,0,0,0|1,0,1]=3 957 B8R0.2 CC(C#C)C(O)C(O)=O Amb24417906 [0,1,0,0,0,0|1,0,1]=3 958 B8R0.2 CC(C#N)C(=O)C(O)=O Amb24680177 [0,1,0,0,0,0|1,0,2]=4 959 B8R0.2 CC(C(C)C#C)C(N)=O Amb24683648 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.2 CC(C(C)C#C)C(O)=O Amb25848905 [0,1,0,0,0,0|1,0,1]=3 961 B8R0.2 CC(C(C)C#N)C(O)=O Amb25062368 [0,1,0,0,0,0|1,0,1]=3 962 B8R0.2 CC(C(C)C=C)C(C)=O Amb25732466 [0,1,0,0,0,0|2,0,1]=4 963 B8R0.2 CC(C(C)C=C)C(O)=O Amb18642611 [0,1,0,0,0,0|1,0,1]=3 964 B8R0.2 CC(C(C)C=O)C(O)=O Amb24468282 [0,1,0,0,0,0|0,0,2]=3 965 B8R0.2 CC(C(C)CN)P(O)=O Amb24623943 [0,1,0,0,0,0|2,0,0]=3 966 B8R0.2 CC(C(C)CO)C(C)=O Amb25127275 [0,1,0,0,0,0|1,0,0]=2 967 B8R0.2 CC(C(F)CC)C(O)=O Amb25836213 [0,1,0,0,0,0|2,0,0]=3 968 B8R0.2 CC(C(F)CN)P(O)=O Amb24524185 [0,1,0,0,0,0|3,0,0]=4 969 B8R0.2 CC(C(N)=O)N(C)CO Amb24744516 [0,1,0,0,0,0|2,0,0]=3 970 B8R0.2 CC(C(N)CC)C(O)=O Amb18832531 [0,1,0,0,0,0|2,0,0]=3 971 B8R0.2 CC(C(N)CN)C(O)=O Amb24532823 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.2 CC(C(O)=O)N(C)C=O Amb18284942 [0,1,0,0,0,0|1,0,2]=4 973 B8R0.2 CC(C(O)=O)N(C)N=O Amb25041960 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.2 CC(C(O)C#C)C(O)=O Amb25123215 [0,1,0,0,0,0|2,0,1]=4 975 B8R0.2 CC(C(O)C=C)C(O)=O Amb18642774 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.2 CC(C)[C@@H](O)[C@@H](C)CO Amb24642403 [0,1,0,0,0,0|2,0,1]=4 977 B8R0.2 CC(C)[C@H](O)C(C)CO Amb25255977 [0,1,0,0,0,0|2,0,1]=4 978 B8R0.2 CC(C)[C@H](O)[C@@H](C)CO Amb25356836 [0,1,0,0,0,0|2,0,1]=4 979 B8R0.2 CC(C=C)C(Br)C(O)=O Amb25102712 [0,1,0,0,0,0|1,0,1]=3 980 B8R0.2 CC(C=C)C(F)C(C)=O Amb25839816 [0,1,0,0,0,0|2,0,1]=4 981 B8R0.2 CC(C=C)C(F)C(O)=O Amb24426918 [0,1,0,0,0,0|1,0,1]=3 982 B8R0.2 CC(C=C)C(N)C(O)=O Amb18989861 [0,1,0,0,0,0|1,0,1]=3 983 B8R0.2 CC(C=C)C(O)C(O)=O Amb18642750 [0,1,0,0,0,0|1,0,1]=3 984 B8R0.2 CC(C=O)C(N)C(O)=O Amb24374650 [0,1,0,0,0,0|0,0,2]=3 985 B8R0.2 CC(CBr)N(C)C(C)=O Amb25303453 [0,1,0,0,0,0|3,0,0]=4 986 B8R0.2 CC(CC)=C(F)C(O)=O Amb25305731 [0,1,0,0,0,0|1,0,2]=4 987 B8R0.2 CC(CC)C(Cl)C(=O)Cl Amb24635851 [0,1,0,0,0,0|2,0,0]=3 988 B8R0.2 CC(CC)C(N)C(=O)S Amb24753871 [0,1,0,0,0,0|1,1,0]=3 989 B8R0.2 CC(CC)C(N)C(N)=S Amb19374909 [0,1,0,0,0,0|2,1,0]=4 990 B8R0.2 CC(CC)C(N)P(O)=O Amb24480138 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.2 CC(CC)C(N)P(O)O Amb24739487 [0,1,0,0,0,0|2,0,1]=4 992 B8R0.2 CC(CC)C(O)C(C)=C Amb24478684 [0,1,0,0,0,0|3,0,0]=4 993 B8R0.2 CC(CC)C(O)C(N)=O Amb24112761 [0,1,0,0,0,0|2,0,0]=3 994 B8R0.2 CC(CC)C(O)C(O)=O Amb18288809 [0,1,0,0,0,0|1,0,0]=2 995 B8R0.2 CC(CC)C([15NH2])C(O)=O Amb22732430 [0,1,0,0,0,0|1,0,0]=2 996 B8R0.2 CC(CC)[C@@H](Br)C(O)=O Amb25706427 [0,1,0,0,0,0|1,0,0]=2 997 B8R0.2 CC(CC)[C@@H](Cl)C(O)=O Amb25360795 [0,1,0,0,0,0|1,0,0]=2 998 B8R0.2 CC(CC)[C@@H](N)C(N)=O Amb18538475 [0,1,0,0,0,0|2,0,0]=3 999 B8R0.2 CC(CC)[C@@H](O)C(O)=O Amb25083795 [0,1,0,0,0,0|1,0,0]=2 1000 B8R0.2 CC(CC)[C@@H]([NH3+])C(N)=S Amb23437729 [0,1,0,0,0,0|2,1,0]=4 1001 B8R0.2 CC(CC)[C@H](F)C(O)=O Amb25679990 [0,1,0,0,0,0|1,0,0]=2 1002 B8R0.2 CC(CC)[C@H](O)C(O)=O Amb24700212 [0,1,0,0,0,0|1,0,0]=2 1003 B8R0.2 CC(CCl)N(C)C(C)=O Amb25329970 [0,1,0,0,0,0|3,0,0]=4 1004 B8R0.2 CC(CCl)[C@H](N)C(O)=O Amb24458196 [0,1,0,0,0,0|1,0,0]=2 1005 B8R0.2 CC(CF)C(N)C(O)=O Amb25223334 [0,1,0,0,0,0|1,0,0]=2 1006 B8R0.2 CC(CN)C(N)C(O)=O Amb25824065 [0,1,0,0,0,0|1,0,0]=2 1007 B8R0.2 CC(CN)C(O)C(C)=C Amb25102667 [0,1,0,0,0,0|3,0,0]=4 1008 B8R0.2 CC(CN)C(O)C(O)=O Amb18642919 [0,1,0,0,0,0|1,0,0]=2 1009 B8R0.2 CC(CN)N(C)C(C)=O Amb18251128 [0,1,0,0,0,0|3,0,0]=4 1010 B8R0.2 CC(CN)N(C)C(N)=O Amb18251133 [0,1,0,0,0,0|3,0,0]=4 1011 B8R0.2 CC(CO)=C(N)C(O)=O Amb25031515 [0,1,0,0,0,0|0,0,2]=3 1012 B8R0.2 CC(CO)=C(O)C(O)=O Amb25757908 [0,1,0,0,0,0|0,0,2]=3 1013 B8R0.2 CC(CO)N(C)C(N)=O Amb24481821 [0,1,0,0,0,0|2,0,0]=3 1014 B8R0.2 CC(CO)[C@@H](O)C(C)=C Amb25284368 [0,1,0,0,0,0|2,0,0]=3 1015 B8R0.2 CC(NC)C(N)C(O)=O Amb18642890 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.2 CC(NC)C(O)C(O)=O Amb24477689 [0,1,0,0,0,0|2,0,0]=3 1017 B8R0.2 CC(O)C(Br)C(C)CO Amb25799666 [0,1,0,0,0,0|1,0,1]=3 1018 B8R0.2 CC(O)C(O)C(C)CC Amb25818364 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.2 CC(O)[C@@H](O)[C@H](O)CO Amb24687810 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.2 CC(OC)C(Cl)C(C)=O Amb24480084 [0,1,0,0,0,0|3,0,0]=4 1021 B8R0.2 CC(OC)C(O)C(N)=O Amb25706543 [0,1,0,0,0,0|3,0,0]=4 1022 B8R0.2 CC(OC)[C@@H](N)C(O)=O Amb25733335 [0,1,0,0,0,0|2,0,0]=3 1023 B8R0.2 CC(SC)C(N)C(O)=O Amb22228563 [0,1,0,0,0,0|2,0,0]=3 1024 B8R0.2 CCC(=C)C(C)C(O)=O Amb25228831 [0,1,0,0,0,0|1,0,2]=4 1025 B8R0.2 CCC(=C)C(N)C(O)=O Amb18642707 [0,1,0,0,0,0|1,0,2]=4 1026 B8R0.2 CCC(=C)[C@H](N)C(O)=O Amb25828765 [0,1,0,0,0,0|1,0,2]=4 1027 B8R0.2 CCC(=S)[C@H](N)C(O)=O Amb25111086 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.2 CCC(Br)C(Br)C(O)=O Amb24478770 [0,1,0,0,0,0|2,0,0]=3 1029 B8R0.2 CCC(C(C(=O)N)N)C Amb1105283 [0,1,0,0,0,0|2,0,0]=3 1030 B8R0.2 CCC(C(C(=O)N)N)C Amb1152621 [0,1,0,0,0,0|2,0,0]=3 1031 B8R0.2 CCC(C(C(=O)O)C)O Amb10844267 [0,1,0,0,0,0|2,0,0]=3 1032 B8R0.2 CCC(C(C(=O)O)Cl)C Amb17593752 [0,1,0,0,0,0|1,0,0]=2 1033 B8R0.2 CCC(C)C(=C)C(O)=O Amb18642655 [0,1,0,0,0,0|1,0,1]=3 1034 B8R0.2 CCC(C)C(=O)C(O)=O Amb22731530 [0,1,0,0,0,0|1,0,1]=3 1035 B8R0.2 CCC(C)C(=O)C([O-])=O Amb22055837 [0,1,0,0,0,0|1,0,2]=4 1036 B8R0.2 CCC(C)C(C)C(N)=O Amb24746800 [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.2 CCC(C)C(C)C(N)=S Amb24504575 [0,1,0,0,0,0|2,1,0]=4 1038 B8R0.2 CCC(C)C(C)C(O)=O Amb18290719 [0,1,0,0,0,0|1,0,0]=2 1039 B8R0.2 CCC(C)N(C)C(=O)Cl Amb25680235 [0,1,0,0,0,0|3,0,0]=4 1040 B8R0.2 CCC(C)[C@H](C)[C@H](C)O Amb24748768 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.2 CCC(F)C(N)C(O)=O Amb24764202 [0,1,0,0,0,0|2,0,0]=3 1042 B8R0.2 CCC(N)C(=C)C(O)=O Amb24558624 [0,1,0,0,0,0|2,0,1]=4 1043 B8R0.2 CCC(O)C(N)C(O)=O Amb18203168 [0,1,0,0,0,0|2,0,0]=3 1044 B8R0.2 CCC(O)C(O)C(C)=O Amb24736298 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.2 CCC(O)C(O)C(O)=O Amb24441607 [0,1,0,0,0,0|2,0,0]=3 1046 B8R0.2 CCC(O)[C@@H](N)C(O)=O Amb22750712 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.2 CCC(O)[C@H](N)C(O)=O Amb24364655 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.2 CCC(S)C(N)C(O)=O Amb24365228 [0,1,0,0,0,0|2,0,0]=3 1049 B8R0.2 CCC(S)[C@@H](N)C(O)=O Amb24604283 [0,1,0,0,0,0|2,0,0]=3 1050 B8R0.2 CCC([13CH3])[13C](=O)[13C]([O-])=O Amb22055838 [0,1,0,0,0,0|1,0,2]=4 1051 B8R0.2 CCC([C@@H](C(=O)N)N)C Amb17231868 [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.2 CCC([C@@H](C(=O)O)C)C Amb10844495 [0,1,0,0,0,0|1,0,0]=2 1053 B8R0.2 CCC([C@@H](C(=O)O)N)C Amb10844501 [0,1,0,0,0,0|1,0,0]=2 1054 B8R0.2 CCC([C@H](C(=O)O)N)C Amb10844500 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.2 CCN(C)C(C)C(N)=O Amb24467965 [0,1,0,0,0,0|3,0,0]=4 1056 B8R0.2 CCN(C)[C@H](C)C(O)=O Amb25073540 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.2 CCS(=O)C(C)C(O)=O Amb18984976 [0,1,0,0,0,0|3,0,0]=4 1058 B8R0.2 CC[C@@H](C)C(=O)C(O)=O Amb25129590 [0,1,0,0,0,0|1,0,1]=3 1059 B8R0.2 CC[C@@H](C)[C@H](C)C(C)=O Amb25024740 [0,1,0,0,0,0|2,0,0]=3 1060 B8R0.2 CC[C@@H](N)[C@H](O)C(O)=O Amb22831530 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.2 CC[C@@H](O)[C@@H](N)C(O)=O Amb24087716 [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.2 CC[C@@H](O)[C@H](N)C(N)=O Amb24670277 [0,1,0,0,0,0|3,0,0]=4 1063 B8R0.2 CC[C@@H](O)[C@H](N)C(O)=O Amb24105353 [0,1,0,0,0,0|2,0,0]=3 1064 B8R0.2 CC[C@@H](O)[C@H](O)C(O)=O Amb24431211 [0,1,0,0,0,0|2,0,0]=3 1065 B8R0.2 CC[C@@H]([C@@H](C(=O)N)N)C Amb10878815 [0,1,0,0,0,0|2,0,0]=3 1066 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Br)Br Amb16233350 [0,1,0,0,0,0|2,0,0]=3 1067 B8R0.2 CC[C@@H]([C@@H](C(=O)O)C)C Amb10844498 [0,1,0,0,0,0|1,0,0]=2 1068 B8R0.2 CC[C@@H]([C@H](C(=O)O)O)C Amb10576171 [0,1,0,0,0,0|1,0,0]=2 1069 B8R0.2 CC[C@H](C)C(=C)C(O)=O Amb24699439 [0,1,0,0,0,0|1,0,1]=3 1070 B8R0.2 CC[C@H](C)[C@@H](C)C(O)=O Amb25056174 [0,1,0,0,0,0|1,0,0]=2 1071 B8R0.2 CC[C@H](C)[C@H](C)C(N)=O Amb25076764 [0,1,0,0,0,0|2,0,0]=3 1072 B8R0.2 CC[C@H](N)C(=C)C(O)=O Amb24468573 [0,1,0,0,0,0|2,0,1]=4 1073 B8R0.2 CC[C@H](N)[C@@H](O)C(O)=O Amb24449588 [0,1,0,0,0,0|2,0,0]=3 1074 B8R0.2 CC[C@H](N)[C@H](O)C(O)=O Amb24477817 [0,1,0,0,0,0|2,0,0]=3 1075 B8R0.2 CC[C@H](O)[C@H](N)C(N)=O Amb25113391 [0,1,0,0,0,0|3,0,0]=4 1076 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C Amb10068321 [0,1,0,0,0,0|1,0,0]=2 1077 B8R0.2 CN(C=O)C(O)C(O)=O Amb24069122 [0,1,0,0,0,0|1,0,2]=4 1078 B8R0.2 CNC(C)C(C)C(O)=O Amb25342967 [0,1,0,0,0,0|2,0,0]=3 1079 B8R0.2 CN[C@@H](C)[C@H](C)C(O)=O Amb25676912 [0,1,0,0,0,0|2,0,0]=3 1080 B8R0.2 COC(C(C(=O)O)Br)C Amb16233352 [0,1,0,0,0,0|2,0,0]=3 1081 B8R0.2 COC(C(C(=O)O)C)C Amb10844268 [0,1,0,0,0,0|2,0,0]=3 1082 B8R0.2 COC(C)C(=C)C(O)=O Amb25706403 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.2 COC(C)C(N)C(O)=O Amb17938689 [0,1,0,0,0,0|2,0,0]=3 1084 B8R0.2 COC(C)[C@H](C)C(O)=O Amb25722336 [0,1,0,0,0,0|2,0,0]=3 1085 B8R0.2 CO[C@@H](C)C(=O)C(O)=O Amb24597638 [0,1,0,0,0,0|2,0,1]=4 1086 B8R0.2 CO[C@@H](C)[C@@H](C)C(O)=O Amb25263126 [0,1,0,0,0,0|2,0,0]=3 1087 B8R0.2 CO[C@@H]([C@@H](C(=O)O)N)C Amb16183892 [0,1,0,0,0,0|2,0,0]=3 1088 B8R0.2 CO[C@@H]([C@H](C(=O)O)N)C Amb10603094 [0,1,0,0,0,0|2,0,0]=3 1089 B8R0.2 CO[C@H](C)[C@H](C)C(O)=O Amb24358364 [0,1,0,0,0,0|2,0,0]=3 1090 B8R0.2 CO[C@H]([C@@H](C(=O)O)C)C Amb10844258 [0,1,0,0,0,0|2,0,0]=3 1091 B8R0.2 CSC(C)C(C)C(O)=O Amb18644375 [0,1,0,0,0,0|2,0,0]=3 1092 B8R0.2 CS[C@@H](C)[C@H](C)C(O)=O Amb24552609 [0,1,0,0,0,0|2,0,0]=3 1093 B8R0.2 C[C@@H](C#C)[C@H](N)C(O)=O Amb25783160 [0,1,0,0,0,0|1,0,1]=3 1094 B8R0.2 C[C@@H](C(O)=O)N(C)C=O Amb24558225 [0,1,0,0,0,0|1,0,2]=4 1095 B8R0.2 C[C@@H](C=C)[C@H](N)C(O)=O Amb24340139 [0,1,0,0,0,0|1,0,1]=3 1096 B8R0.2 C[C@@H](C=O)[C@H](N)C(O)=O Amb25142449 [0,1,0,0,0,0|0,0,2]=3 1097 B8R0.2 C[C@@H](CC)C(=O)C([O-])=O Amb22757032 [0,1,0,0,0,0|1,0,2]=4 1098 B8R0.2 C[C@@H](CC)C(Br)C(O)=O Amb24635596 [0,1,0,0,0,0|1,0,0]=2 1099 B8R0.2 C[C@@H](CC)C(F)C(O)=O Amb25042866 [0,1,0,0,0,0|1,0,0]=2 1100 B8R0.2 C[C@@H](CC)C(O)C(O)=O Amb25088995 [0,1,0,0,0,0|1,0,0]=2 1101 B8R0.2 C[C@@H](CC)[C@@H](Br)C(O)=O Amb23401386 [0,1,0,0,0,0|1,0,0]=2 1102 B8R0.2 C[C@@H](CC)[C@@H](S)C(O)=O Amb24388715 [0,1,0,0,0,0|1,0,0]=2 1103 B8R0.2 C[C@@H](CC)[C@H](Cl)C(O)=O Amb22388560 [0,1,0,0,0,0|1,0,0]=2 1104 B8R0.2 C[C@@H](CC)[C@H](N)C(O)=O Amb22351114 [0,1,0,0,0,0|1,0,0]=2 1105 B8R0.2 C[C@@H](CC)[C@H]([15NH2])C(O)=O Amb22337867 [0,1,0,0,0,0|1,0,0]=2 1106 B8R0.2 C[C@@H](CN)N(C)C(C)=O Amb25172190 [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.2 C[C@@H](CO)[C@@H](N)C(O)=O Amb24117487 [0,1,0,0,0,0|0,0,0]=1 1108 B8R0.2 C[C@@H](CO)[C@H](N)C(O)=O Amb24117488 [0,1,0,0,0,0|0,0,0]=1 1109 B8R0.2 C[C@@H](NC)[C@H](N)C(O)=O Amb24477707 [0,1,0,0,0,0|2,0,0]=3 1110 B8R0.2 C[C@@H](NC)[C@H](O)C(O)=O Amb25146143 [0,1,0,0,0,0|2,0,0]=3 1111 B8R0.2 C[C@@H](O)[C@@H](Br)[C@H](C)CO Amb24480008 [0,1,0,0,0,0|1,0,1]=3 1112 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)CO Amb25056707 [0,1,0,0,0,0|2,0,1]=4 1113 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](C)CC Amb24389196 [0,1,0,0,0,0|2,0,1]=4 1114 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)CO Amb25283309 [0,1,0,0,0,0|2,0,1]=4 1115 B8R0.2 C[C@@H](O)[C@H](O)[C@H](O)CO Amb25042518 [0,1,0,0,0,0|2,0,1]=4 1116 B8R0.2 C[C@@H](OC)[C@@H](N)C(O)=O Amb23438804 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.2 C[C@@H](OC)[C@H](Br)C(=O)Cl Amb25325034 [0,1,0,0,0,0|3,0,0]=4 1118 B8R0.2 C[C@@H](OC)[C@H](Cl)C(O)=O Amb25701678 [0,1,0,0,0,0|2,0,0]=3 1119 B8R0.2 C[C@@H](OC)[C@H](N)C(O)=O Amb23438882 [0,1,0,0,0,0|2,0,0]=3 1120 B8R0.2 C[C@@H](OC)[C@H](O)C(O)=O Amb25316180 [0,1,0,0,0,0|2,0,0]=3 1121 B8R0.2 C[C@@H](SC)[C@@H](N)C(O)=O Amb24666742 [0,1,0,0,0,0|2,0,0]=3 1122 B8R0.2 C[C@@H]([C@@H](C)C=C)C(O)=O Amb24721924 [0,1,0,0,0,0|1,0,1]=3 1123 B8R0.2 C[C@@H]([C@@H](C)C=O)C(O)=O Amb24470204 [0,1,0,0,0,0|0,0,2]=3 1124 B8R0.2 C[C@@H]([C@@H](C)CO)C(O)=O Amb24696822 [0,1,0,0,0,0|0,0,0]=1 1125 B8R0.2 C[C@@H]([C@@H](O)CC)C(O)=O Amb24427100 [0,1,0,0,0,0|2,0,0]=3 1126 B8R0.2 C[C@@H]([C@@H](O)CO)C(C)=C Amb25267090 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.2 C[C@@H]([C@H](N)CC)C(O)=O Amb24496209 [0,1,0,0,0,0|2,0,0]=3 1128 B8R0.2 C[C@@H]([C@H](O)C=C)C(O)=O Amb24622455 [0,1,0,0,0,0|2,0,1]=4 1129 B8R0.2 C[C@@H]([C@H](O)CC)C(O)=O Amb24472165 [0,1,0,0,0,0|2,0,0]=3 1130 B8R0.2 C[C@H](C=C)[C@@H](N)C(O)=O Amb24460813 [0,1,0,0,0,0|1,0,1]=3 1131 B8R0.2 C[C@H](C=C)[C@H](Br)C(O)=O Amb25074908 [0,1,0,0,0,0|1,0,1]=3 1132 B8R0.2 C[C@H](C=C)[C@H](Cl)C(O)=O Amb24361246 [0,1,0,0,0,0|1,0,1]=3 1133 B8R0.2 C[C@H](C=C)[C@H](F)C(O)=O Amb25138124 [0,1,0,0,0,0|1,0,1]=3 1134 B8R0.2 C[C@H](C=O)[C@@H](O)C(C)=O Amb25768475 [0,1,0,0,0,0|1,0,2]=4 1135 B8R0.2 C[C@H](CC)C(N)C(O)=O Amb25206861 [0,1,0,0,0,0|1,0,0]=2 1136 B8R0.2 C[C@H](CC)[C@@H](Br)C(O)=O Amb24415133 [0,1,0,0,0,0|1,0,0]=2 1137 B8R0.2 C[C@H](CC)[C@H](Cl)C(O)=O Amb25147095 [0,1,0,0,0,0|1,0,0]=2 1138 B8R0.2 C[C@H](CC)[C@H](O)C(O)=O Amb25703176 [0,1,0,0,0,0|1,0,0]=2 1139 B8R0.2 C[C@H](CO)N(C)C(C)=O Amb24553314 [0,1,0,0,0,0|2,0,0]=3 1140 B8R0.2 C[C@H](CO)[C@@H](O)C(C)=C Amb24387757 [0,1,0,0,0,0|2,0,0]=3 1141 B8R0.2 C[C@H](NC)[C@@H](O)C(N)=O Amb25095009 [0,1,0,0,0,0|3,0,0]=4 1142 B8R0.2 C[C@H](NC)[C@H](O)C(O)=O Amb25755974 [0,1,0,0,0,0|2,0,0]=3 1143 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](C)CC Amb25741416 [0,1,0,0,0,0|2,0,1]=4 1144 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)CO Amb24615371 [0,1,0,0,0,0|2,0,1]=4 1145 B8R0.2 C[C@H](O)[C@@H](O)[C@H](C)CC Amb25145311 [0,1,0,0,0,0|2,0,1]=4 1146 B8R0.2 C[C@H](O)[C@H](O)[C@@H](C)CC Amb24735014 [0,1,0,0,0,0|2,0,1]=4 1147 B8R0.2 C[C@H](O)[C@H](O)[C@@H](C)CO Amb24697820 [0,1,0,0,0,0|1,0,1]=3 1148 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)CO Amb25045742 [0,1,0,0,0,0|2,0,1]=4 1149 B8R0.2 C[C@H](OC)[C@@H](Br)C(O)=O Amb24480242 [0,1,0,0,0,0|2,0,0]=3 1150 B8R0.2 C[C@H](OC)[C@@H](O)C(O)=O Amb25140960 [0,1,0,0,0,0|2,0,0]=3 1151 B8R0.2 C[C@H]([C@@H](O)CC)C(C)=O Amb25096669 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.2 C[C@H]([C@H](C)C=C)C(C)=O Amb25266896 [0,1,0,0,0,0|2,0,1]=4 1153 B8R0.2 C[C@H]([C@H](C)C=C)C(O)=O Amb24528497 [0,1,0,0,0,0|1,0,1]=3 1154 B8R0.2 C[C@H]([C@H](N)CC)C(O)=O Amb25737884 [0,1,0,0,0,0|2,0,0]=3 1155 B8R0.2 C\C(=C/C)\C(N)C(O)=O Amb18642706 [0,1,0,0,0,0|1,0,2]=4 1156 B8R0.2 C\C(=C/C)\[C@@H](N)C(O)=O Amb24695637 [0,1,0,0,0,0|1,0,2]=4 1157 B8R0.2 C\C(=C\C)\C(O)C(O)=O Amb24495368 [0,1,0,0,0,0|1,0,2]=4 1158 B8R0.2 ClCC(C(C(=O)O)O)O Amb17593871 [0,1,0,0,0,0|2,0,0]=3 1159 B8R0.2 FC[C@H]([C@@H](C(=O)O)N)O Amb13883676 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.2 NC(=O)[C@@H](O)[C@@H](O)CO Amb24533413 [0,1,0,0,0,0|2,0,0]=3 1161 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO Amb25146059 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.2 NC(C(O)CO)C(O)=O Amb18642974 [0,1,0,0,0,0|1,0,0]=2 1163 B8R0.2 NC(CF)C(F)C(O)=O Amb24340267 [0,1,0,0,0,0|2,0,0]=3 1164 B8R0.2 NC(CO)C(O)C(O)=O Amb25270055 [0,1,0,0,0,0|1,0,0]=2 1165 B8R0.2 NCC(O)C(F)P(O)=O Amb25725015 [0,1,0,0,0,0|3,0,0]=4 1166 B8R0.2 NC[C@@H](F)[C@@H](F)C(O)=O Amb25366211 [0,1,0,0,0,0|2,0,0]=3 1167 B8R0.2 NC[C@@H](F)[C@H](F)C(O)=O Amb24452574 [0,1,0,0,0,0|2,0,0]=3 1168 B8R0.2 NC[C@H](O)[C@@H](O)C(O)=O Amb25323660 [0,1,0,0,0,0|2,0,0]=3 1169 B8R0.2 NC[C@H](O)[C@H](O)C(O)=O Amb25242625 [0,1,0,0,0,0|2,0,0]=3 1170 B8R0.2 N[C@@H](C(O)CBr)C(O)=O Amb24391545 [0,1,0,0,0,0|2,0,0]=3 1171 B8R0.2 N[C@@H](C(O)CCl)C(N)=O Amb24543859 [0,1,0,0,0,0|3,0,0]=4 1172 B8R0.2 N[C@@H](C(O)CF)C(O)=O Amb24426022 [0,1,0,0,0,0|2,0,0]=3 1173 B8R0.2 N[C@@H](CO)[C@H](O)C(O)=O Amb25738857 [0,1,0,0,0,0|1,0,0]=2 1174 B8R0.2 N[C@@H]([C@@H](O)CBr)C(O)=O Amb24480277 [0,1,0,0,0,0|2,0,0]=3 1175 B8R0.2 N[C@@H]([C@@H](O)CO)C(N)=O Amb24717733 [0,1,0,0,0,0|2,0,0]=3 1176 B8R0.2 N[C@@H]([C@@H](O)CO)C(O)=O Amb25678241 [0,1,0,0,0,0|1,0,0]=2 1177 B8R0.2 N[C@@H]([C@H](N)CO)C(O)=O Amb24761920 [0,1,0,0,0,0|1,0,0]=2 1178 B8R0.2 N[C@@H]([C@H](O)CCl)C(O)=O Amb25324441 [0,1,0,0,0,0|2,0,0]=3 1179 B8R0.2 N[C@@H]([C@H](O)CO)C(O)=O Amb24674136 [0,1,0,0,0,0|1,0,0]=2 1180 B8R0.2 N[C@H](C(=O)NO)C(O)=O Amb24476649 [0,1,0,0,0,0|2,0,1]=4 1181 B8R0.2 N[C@H](CO)[C@H](O)C(N)=O Amb24677605 [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.2 N[C@H](CO)[C@H](O)C(O)=O Amb25090400 [0,1,0,0,0,0|1,0,0]=2 1183 B8R0.2 N[C@H]([C@@H](O)CO)C(=O)Cl Amb25707913 [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.2 N[C@H]([C@@H](O)CO)C(O)=O Amb25836554 [0,1,0,0,0,0|1,0,0]=2 1185 B8R0.2 N[C@H]([C@H](O)CO)C(O)=O Amb24671346 [0,1,0,0,0,0|1,0,0]=2 1186 B8R0.2 OC(=O)C(Br)C(Br)CBr Amb22347644 [0,1,0,0,0,0|2,0,0]=3 1187 B8R0.2 OC(C(O)C=O)C(O)=O Amb18124399 [0,1,0,0,0,0|1,0,2]=4 1188 B8R0.2 OC(C(O)CBr)C(O)=O Amb24358122 [0,1,0,0,0,0|2,0,0]=3 1189 B8R0.2 OC(CF)C(Br)C(O)=O Amb25733261 [0,1,0,0,0,0|2,0,0]=3 1190 B8R0.2 OC(O)C(O)C(O)CO Amb25680590 [0,1,0,0,0,0|1,0,2]=4 1191 B8R0.2 OC(O)[C@@H](O)[C@H](O)CO Amb25225984 [0,1,0,0,0,0|1,0,2]=4 1192 B8R0.2 OC(O)[C@H](O)[C@H](O)CO Amb24532917 [0,1,0,0,0,0|1,0,2]=4 1193 B8R0.2 OCC(O)C(O)C(O)=O Amb22495524 [0,1,0,0,0,0|1,0,0]=2 1194 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O Amb22801448 [0,1,0,0,0,0|1,0,0]=2 1195 B8R0.2 OC[C@H](O)[C@@H](O)C([O-])=O Amb17943095 [0,1,0,0,0,0|1,0,1]=3 1196 B8R0.2 OC[C@H](O)[C@H](O)C(O)=O Amb25223742 [0,1,0,0,0,0|1,0,0]=2 1197 B8R0.2 O[C@@H]([C@H](O)CBr)C(O)=O Amb24426113 [0,1,0,0,0,0|2,0,0]=3 1198 B8R0.2 O[C@@H]([C@H](O)CCl)C(O)=O Amb25836734 [0,1,0,0,0,0|2,0,0]=3 1199 B8R0.2 SCC(C(C(=O)O)C)C Amb17593702 [0,1,0,0,0,0|0,1,0]=2 1200 B8R0.2 [14CH3][14CH]([14CH2][14CH3])[14CH](N)[14C](O)=O Amb22362774 [0,1,0,0,0,0|1,0,0]=2 1201 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22552521 [0,1,0,0,0,0|1,0,1]=3 1202 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22733096 [0,1,0,0,0,0|1,0,1]=3 1203 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22734344 [0,1,0,0,0,0|1,0,1]=3 1204 B8R0.2 [O-]C(=O)[C@@H](O)[C@H](O)CO Amb22744783 [0,1,0,0,0,0|1,0,1]=3 1205 B8R0.5 C#CCS(=O)CC(O)=O Amb24417332 [0,1,0,0,0,0|3,0,0]=4 1206 B8R0.5 C#CC[C@@H](N)CC(O)=O Amb22746284 [0,1,0,0,0,0|2,0,0]=3 1207 B8R0.5 C#CC[C@@H](N)CC(O)=O Amb24539924 [0,1,0,0,0,0|2,0,0]=3 1208 B8R0.5 C#CC[C@H](N)CC(O)=O Amb22226648 [0,1,0,0,0,0|2,0,0]=3 1209 B8R0.5 C#CC[C@H](N)CC(O)=O Amb24642007 [0,1,0,0,0,0|2,0,0]=3 1210 B8R0.5 C=C(Br)CC(O)CCO Amb25343863 [0,1,0,0,0,0|3,0,0]=4 1211 B8R0.5 C=C(CC=C)CC(O)=O Amb25261334 [0,1,0,0,0,0|1,0,2]=4 1212 B8R0.5 C=C=CC(N)CC(O)=O Amb24476615 [0,1,0,0,0,0|2,0,1]=4 1213 B8R0.5 C=CCC(CC(=O)C)C Amb17593320 [0,1,0,0,0,0|2,0,0]=3 1214 B8R0.5 C=CCC(N)CC(O)=O Amb22641964 [0,1,0,0,0,0|2,0,0]=3 1215 B8R0.5 C=CCC(O)CC(O)=O Amb18642785 [0,1,0,0,0,0|2,0,0]=3 1216 B8R0.5 C=CCS(=O)CC(=O)O Amb10608086 [0,1,0,0,0,0|3,0,0]=4 1217 B8R0.5 C=CC[C@@H](CC(=O)O)C Amb10844371 [0,1,0,0,0,0|1,0,0]=2 1218 B8R0.5 C=CC[C@@H](N)CC(O)=O Amb22746166 [0,1,0,0,0,0|2,0,0]=3 1219 B8R0.5 C=CC[C@@H](O)CC(N)=O Amb24680790 [0,1,0,0,0,0|3,0,0]=4 1220 B8R0.5 C=CC[C@H](CC(=O)O)C Amb10844336 [0,1,0,0,0,0|1,0,0]=2 1221 B8R0.5 CC(=C)C[C@@H](O)CCO Amb24412924 [0,1,0,0,0,0|3,0,0]=4 1222 B8R0.5 CC(=C)C[C@H](O)CCO Amb24414030 [0,1,0,0,0,0|3,0,0]=4 1223 B8R0.5 CC(=CC(O)=O)OCC Amb25770190 [0,1,0,0,0,0|1,0,2]=4 1224 B8R0.5 CC(=CC(O)=O)SCC Amb25229812 [0,1,0,0,0,0|1,0,2]=4 1225 B8R0.5 CC(=O)CC(=O)CCO Amb25685471 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.5 CC(=O)CN(C)CC=C Amb24752867 [0,1,0,0,0,0|3,0,0]=4 1227 B8R0.5 CC(=O)C[C@H](O)CCBr Amb24634001 [0,1,0,0,0,0|3,0,0]=4 1228 B8R0.5 CC(=O)C[C@H](O)CCO Amb24551545 [0,1,0,0,0,0|2,0,0]=3 1229 B8R0.5 CC(C)CC(C)CNO Amb25238605 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.5 CC(C)C[C@H](C)CCO Amb24456802 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.5 CC(CC#C)CC(C)=O Amb24707587 [0,1,0,0,0,0|2,0,0]=3 1232 B8R0.5 CC(CC#C)NC(C)=O Amb24373503 [0,1,0,0,0,0|3,0,0]=4 1233 B8R0.5 CC(CC#C)OC(C)=O Amb25091916 [0,1,0,0,0,0|3,0,0]=4 1234 B8R0.5 CC(CC#C)OC(N)=O Amb24446613 [0,1,0,0,0,0|3,0,0]=4 1235 B8R0.5 CC(CC#N)CC(C)=O Amb24339577 [0,1,0,0,0,0|2,0,0]=3 1236 B8R0.5 CC(CC#N)CC(C)O Amb25052229 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.5 CC(CC#N)CC(O)=O Amb18642506 [0,1,0,0,0,0|1,0,0]=2 1238 B8R0.5 CC(CC#N)NC(C)=O Amb25061726 [0,1,0,0,0,0|3,0,0]=4 1239 B8R0.5 CC(CC(C)=C)=CCO Amb25847843 [0,1,0,0,0,0|2,0,1]=4 1240 B8R0.5 CC(CC(C)=O)=CCCl Amb24581453 [0,1,0,0,0,0|2,0,1]=4 1241 B8R0.5 CC(CC(C)=O)=NOC Amb25179533 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.5 CC(CC(C)=O)N=[N+]=[N-] Amb24447192 [0,1,0,0,0,0|3,0,0]=4 1243 B8R0.5 CC(CC(C)=O)NC=O Amb24477804 [0,1,0,0,0,0|1,0,2]=4 1244 B8R0.5 CC(CC(N)=O)N=C=S Amb24590729 [0,1,0,0,0,0|1,1,1]=4 1245 B8R0.5 CC(CC(N)=O)NC#N Amb25115328 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.5 CC(CC(O)=O)NC=O Amb18967805 [0,1,0,0,0,0|0,0,2]=3 1247 B8R0.5 CC(CC=C)CC(O)=O Amb18642628 [0,1,0,0,0,0|1,0,0]=2 1248 B8R0.5 CC(CC=C)NC(N)=O Amb24412410 [0,1,0,0,0,0|3,0,0]=4 1249 B8R0.5 CC(CC=O)CC(C)=C Amb18642471 [0,1,0,0,0,0|2,0,1]=4 1250 B8R0.5 CC(CC=O)CC(C)O Amb25858195 [0,1,0,0,0,0|1,0,2]=4 1251 B8R0.5 CC(CC=O)NC(C)=O Amb25705280 [0,1,0,0,0,0|2,0,1]=4 1252 B8R0.5 CC(CC=O)OC(C)=O Amb18642743 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.5 CC(CCBr)CC(C)=O Amb24740003 [0,1,0,0,0,0|2,0,0]=3 1254 B8R0.5 CC(CCBr)NC(C)=O Amb25213338 [0,1,0,0,0,0|3,0,0]=4 1255 B8R0.5 CC(CCBr)OC(C)=O Amb25111237 [0,1,0,0,0,0|3,0,0]=4 1256 B8R0.5 CC(CCCl)CC(C)=O Amb25231057 [0,1,0,0,0,0|2,0,0]=3 1257 B8R0.5 CC(CCF)CC(O)=O Amb24477914 [0,1,0,0,0,0|1,0,0]=2 1258 B8R0.5 CC(CCN)CB(O)O Amb25337156 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.5 CC(CCN)CC(C)O Amb25064091 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.5 CC(CCN)CC(O)=O Amb20667689 [0,1,0,0,0,0|1,0,0]=2 1261 B8R0.5 CC(CCN)CC(O)=O Amb24376646 [0,1,0,0,0,0|1,0,0]=2 1262 B8R0.5 CC(CCN)NC(C)=O Amb18986174 [0,1,0,0,0,0|3,0,0]=4 1263 B8R0.5 CC(CCN)NC(N)=O Amb18985721 [0,1,0,0,0,0|3,0,0]=4 1264 B8R0.5 CC(CCO)=CC(O)=O Amb25213064 [0,1,0,0,0,0|0,0,2]=3 1265 B8R0.5 CC(CCO)C=C(C)C Amb24581739 [0,1,0,0,0,0|2,0,1]=4 1266 B8R0.5 CC(CCO)CC(C)=C Amb24525539 [0,1,0,0,0,0|2,0,0]=3 1267 B8R0.5 CC(CCO)CC(C)=O Amb24563263 [0,1,0,0,0,0|1,0,0]=2 1268 B8R0.5 CC(CCO)CC(O)=O Amb18642882 [0,1,0,0,0,0|0,0,0]=1 1269 B8R0.5 CC(CCO)NC(N)=O Amb25043087 [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.5 CC(CCO)NS(C)=O Amb24736064 [0,1,0,0,0,0|3,0,0]=4 1271 B8R0.5 CC(CCO)OC(N)=O Amb25090414 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.5 CC(CCS)=CC(O)=O Amb25328912 [0,1,0,0,0,0|0,1,2]=4 1273 B8R0.5 CC(CNC)=CC(O)=O Amb25126794 [0,1,0,0,0,0|1,0,2]=4 1274 B8R0.5 CC(CNO)=CC(O)=O Amb25702672 [0,1,0,0,0,0|0,0,2]=3 1275 B8R0.5 CC(COC)=CC(O)=O Amb25311787 [0,1,0,0,0,0|0,0,2]=3 1276 B8R0.5 CC(CSC)=CC(O)=O Amb25364860 [0,1,0,0,0,0|0,1,2]=4 1277 B8R0.5 CC(NC(=O)C)CON Amb17138376 [0,1,0,0,0,0|2,0,0]=3 1278 B8R0.5 CC(NCC)CC(=O)N Amb17231866 [0,1,0,0,0,0|2,0,0]=3 1279 B8R0.5 CC(NCC)CC(=O)O Amb13952759 [0,1,0,0,0,0|1,0,0]=2 1280 B8R0.5 CC(O)CC(O)CCO Amb24733599 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.5 CC(O)CC(O)COC Amb24543387 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.5 CCCC(=C)CC(O)=O Amb18642622 [0,1,0,0,0,0|1,0,2]=4 1283 B8R0.5 CCCC(Br)CC(O)=O Amb18127175 [0,1,0,0,0,0|2,0,0]=3 1284 B8R0.5 CCCC(C)CC(C)=C Amb22730409 [0,1,0,0,0,0|3,0,0]=4 1285 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [0,1,0,0,0,0|2,0,0]=3 1286 B8R0.5 CCCC(C)CC(C)O Amb22229840 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.5 CCCC(C)CC(N)=N Amb25771598 [0,1,0,0,0,0|3,0,0]=4 1288 B8R0.5 CCCC(C)CC(N)=O Amb25146057 [0,1,0,0,0,0|2,0,0]=3 1289 B8R0.5 CCCC(C)OC(C)=O Amb22732559 [0,1,0,0,0,0|3,0,0]=4 1290 B8R0.5 CCCC(CC(=O)C)O Amb17593376 [0,1,0,0,0,0|3,0,0]=4 1291 B8R0.5 CCCC(CC(=O)O)N Amb1993864 [0,1,0,0,0,0|2,0,0]=3 1292 B8R0.5 CCCC(N)CC(N)=O Amb25128031 [0,1,0,0,0,0|3,0,0]=4 1293 B8R0.5 CCCC(N)CC(O)=O Amb21961469 [0,1,0,0,0,0|2,0,0]=3 1294 B8R0.5 CCCC(O)CC(N)=O Amb25072270 [0,1,0,0,0,0|3,0,0]=4 1295 B8R0.5 CCCN(C)CC(N)=O Amb24700757 [0,1,0,0,0,0|3,0,0]=4 1296 B8R0.5 CCCN(C)CC(O)=O Amb19373314 [0,1,0,0,0,0|2,0,0]=3 1297 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,1,0,0,0,0|3,0,0]=4 1298 B8R0.5 CCC[C@@H](C)CC(N)=O Amb24761385 [0,1,0,0,0,0|2,0,0]=3 1299 B8R0.5 CCC[C@@H](C)CC(O)=O Amb24622486 [0,1,0,0,0,0|1,0,0]=2 1300 B8R0.5 CCC[C@@H](C)NC(C)=O Amb25844046 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.5 CCC[C@@H](CC(=O)O)C Amb10844381 [0,1,0,0,0,0|1,0,0]=2 1302 B8R0.5 CCC[C@@H](N)CC(O)=O Amb22225223 [0,1,0,0,0,0|2,0,0]=3 1303 B8R0.5 CCC[C@@H](N)CC(O)=O Amb24739278 [0,1,0,0,0,0|2,0,0]=3 1304 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [0,1,0,0,0,0|3,0,0]=4 1305 B8R0.5 CCC[C@@H](O)CC(O)=O Amb25188904 [0,1,0,0,0,0|2,0,0]=3 1306 B8R0.5 CCC[C@H](C)CC(N)=O Amb25340178 [0,1,0,0,0,0|2,0,0]=3 1307 B8R0.5 CCC[C@H](N)CC(O)=O Amb22226359 [0,1,0,0,0,0|2,0,0]=3 1308 B8R0.5 CCC[C@H](O)CC(O)=O Amb25367955 [0,1,0,0,0,0|2,0,0]=3 1309 B8R0.5 CCNC(=O)CC(=O)O Amb17399821 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.5 CCNC(C)CC(C)=O Amb25131542 [0,1,0,0,0,0|2,0,0]=3 1311 B8R0.5 CCNC(C)CC(C)O Amb25836121 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.5 CCOC(=O)CC(O)=O Amb22360654 [0,1,0,0,0,0|2,0,1]=4 1313 B8R0.5 CCOC(C)CC(C)=O Amb25291783 [0,1,0,0,0,0|2,0,0]=3 1314 B8R0.5 CCOC(C)NC(N)=O Amb24655701 [0,1,0,0,0,0|3,0,0]=4 1315 B8R0.5 CCOC(C)OC(C)=O Amb17689197 [0,1,0,0,0,0|3,0,0]=4 1316 B8R0.5 CCO[13C](=O)[13CH2][13C](=O)O Amb17618079 [0,1,0,0,0,0|2,0,1]=4 1317 B8R0.5 CCO[C@@H](O)CC(C)=O Amb25051240 [0,1,0,0,0,0|3,0,0]=4 1318 B8R0.5 CCO[C@H](C)CC(O)=O Amb24395833 [0,1,0,0,0,0|1,0,0]=2 1319 B8R0.5 CCO[C@H](C)C[C@@H](C)O Amb24466310 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.5 CCSC(C)CC(N)=N Amb24333275 [0,1,0,0,0,0|3,0,0]=4 1321 B8R0.5 CC\C=C(/C)\CC(C)=O Amb24751417 [0,1,0,0,0,0|2,0,1]=4 1322 B8R0.5 CC\C=C(\C)/CC(C)=O Amb25314826 [0,1,0,0,0,0|2,0,1]=4 1323 B8R0.5 CC\N=C(\C)/CC(C)=O Amb25838829 [0,1,0,0,0,0|2,0,1]=4 1324 B8R0.5 CN(CCCl)CC(N)=O Amb24626078 [0,1,0,0,0,0|3,0,0]=4 1325 B8R0.5 CN(CCCl)CC(O)=O Amb25829318 [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.5 CN(CCF)CC(O)=O Amb25760005 [0,1,0,0,0,0|2,0,0]=3 1327 B8R0.5 CN(CCI)CC(N)=O Amb25042038 [0,1,0,0,0,0|3,0,0]=4 1328 B8R0.5 CN(CCN)CC(O)=O Amb18313585 [0,1,0,0,0,0|2,0,0]=3 1329 B8R0.5 CN(CCO)CC(=C)Br Amb19079908 [0,1,0,0,0,0|3,0,0]=4 1330 B8R0.5 CN(CCO)CC(=C)Cl Amb25229314 [0,1,0,0,0,0|3,0,0]=4 1331 B8R0.5 CNCC(C)CC(O)=O Amb25284797 [0,1,0,0,0,0|1,0,0]=2 1332 B8R0.5 CNCC(C)NC(C)=O Amb25834936 [0,1,0,0,0,0|3,0,0]=4 1333 B8R0.5 COCC(=O)CC(=O)C Amb15701314 [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.5 COCC(=O)CC(O)=O Amb24093174 [0,1,0,0,0,0|1,0,1]=3 1335 B8R0.5 COCC(C)C=C(Br)Br Amb24481959 [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.5 COCC(C)CC(O)=O Amb19024342 [0,1,0,0,0,0|0,0,0]=1 1337 B8R0.5 COCC(C)CN(C)N Amb24495578 [0,1,0,0,0,0|3,0,0]=4 1338 B8R0.5 COCC(C)OC(N)=O Amb24645730 [0,1,0,0,0,0|2,0,0]=3 1339 B8R0.5 COCC(C)SC(N)=N Amb25853833 [0,1,0,0,0,0|3,0,0]=4 1340 B8R0.5 COCC(Cl)CC(=O)Cl Amb25059197 [0,1,0,0,0,0|2,0,0]=3 1341 B8R0.5 COCC(Cl)CC(O)=O Amb24627002 [0,1,0,0,0,0|1,0,0]=2 1342 B8R0.5 COCC(O)CC(C)=C Amb25716730 [0,1,0,0,0,0|3,0,0]=4 1343 B8R0.5 COCC(O)CC(N)=N Amb24665644 [0,1,0,0,0,0|3,0,0]=4 1344 B8R0.5 COCC(O)CC(O)=O Amb18832518 [0,1,0,0,0,0|1,0,0]=2 1345 B8R0.5 COC[C@@H](C)CC(O)=O Amb25064328 [0,1,0,0,0,0|0,0,0]=1 1346 B8R0.5 COC[C@@H](C)NC(C)=O Amb24477698 [0,1,0,0,0,0|2,0,0]=3 1347 B8R0.5 COC[C@@H](C)NC(N)=O Amb24718117 [0,1,0,0,0,0|2,0,0]=3 1348 B8R0.5 COC[C@H](C)N=C(N)N Amb24552323 [0,1,0,0,0,0|3,0,0]=4 1349 B8R0.5 COC[C@H](C)NC(C)=O Amb24477723 [0,1,0,0,0,0|2,0,0]=3 1350 B8R0.5 CS(=O)CC(N)CCO Amb25711601 [0,1,0,0,0,0|3,0,0]=4 1351 B8R0.5 CSCC(C)NC(C)=O Amb24481592 [0,1,0,0,0,0|2,1,0]=4 1352 B8R0.5 CSCC(C)OC(C)=O Amb24450062 [0,1,0,0,0,0|2,1,0]=4 1353 B8R0.5 CSCC(Cl)CC(O)=O Amb18126320 [0,1,0,0,0,0|1,1,0]=3 1354 B8R0.5 CSCC(N)CC(N)=O Amb25784570 [0,1,0,0,0,0|2,1,0]=4 1355 B8R0.5 CSCC(O)CC(O)=O Amb24621046 [0,1,0,0,0,0|1,1,0]=3 1356 B8R0.5 CSSC(C)CC(O)=O Amb25241180 [0,1,0,0,0,0|1,1,0]=3 1357 B8R0.5 C[C@@H](CCN)CC(O)=O Amb25318051 [0,1,0,0,0,0|1,0,0]=2 1358 B8R0.5 C[C@@H](CCO)CC(C)=C Amb25187356 [0,1,0,0,0,0|2,0,0]=3 1359 B8R0.5 C[C@@H](CCO)CC(O)=O Amb24699186 [0,1,0,0,0,0|0,0,0]=1 1360 B8R0.5 C[C@@H](CCO)NC(C)=O Amb25140356 [0,1,0,0,0,0|2,0,0]=3 1361 B8R0.5 C[C@@H](CCO)NC(N)=O Amb24676501 [0,1,0,0,0,0|2,0,0]=3 1362 B8R0.5 C[C@H](CC#N)NC(C)=O Amb24381940 [0,1,0,0,0,0|3,0,0]=4 1363 B8R0.5 C[C@H](CC=O)CC(C)=C Amb25680323 [0,1,0,0,0,0|2,0,1]=4 1364 B8R0.5 C[C@H](CCO)CC(C)=C Amb24362138 [0,1,0,0,0,0|2,0,0]=3 1365 B8R0.5 C[C@H](CCO)NC(N)=O Amb24690086 [0,1,0,0,0,0|2,0,0]=3 1366 B8R0.5 C[C@H](O)C[C@H](O)COC Amb25688669 [0,1,0,0,0,0|2,0,1]=4 1367 B8R0.5 C\C(=C/C(=O)O)\CCC Amb10610367 [0,1,0,0,0,0|1,0,2]=4 1368 B8R0.5 C\C(=C\C(O)=O)\OCC Amb18642786 [0,1,0,0,0,0|1,0,2]=4 1369 B8R0.5 C\C(\CC(C)=O)=C/OC Amb24334053 [0,1,0,0,0,0|1,0,2]=4 1370 B8R0.5 C\C(\CC(C)=O)=C\OC Amb24580390 [0,1,0,0,0,0|1,0,2]=4 1371 B8R0.5 C\C(\CC(O)=O)=C/CC Amb25087318 [0,1,0,0,0,0|1,0,1]=3 1372 B8R0.5 C\C(\CC(O)=O)=C\CC Amb24562251 [0,1,0,0,0,0|1,0,1]=3 1373 B8R0.5 C\C(\CC(O)=O)=C\CS Amb18124785 [0,1,0,0,0,0|0,1,1]=3 1374 B8R0.5 C\C(\CC=C)=C\C(O)=O Amb25810544 [0,1,0,0,0,0|1,0,2]=4 1375 B8R0.5 C\C(\CCC)=C\C(O)=O Amb24055711 [0,1,0,0,0,0|1,0,2]=4 1376 B8R0.5 C\C(\CNC)=C/C(O)=O Amb24384927 [0,1,0,0,0,0|1,0,2]=4 1377 B8R0.5 C\C=C\C(C)CC(C)=O Amb25211017 [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.5 C\C=C\C(C)CC(O)=O Amb24731262 [0,1,0,0,0,0|1,0,1]=3 1379 B8R0.5 C\C=C\[C@@H](C)CC(O)=O Amb25343237 [0,1,0,0,0,0|1,0,1]=3 1380 B8R0.5 C\C=C\[C@H](O)CC(O)=O Amb25312045 [0,1,0,0,0,0|2,0,1]=4 1381 B8R0.5 N#CCC(Br)CC(O)=O Amb25211652 [0,1,0,0,0,0|2,0,0]=3 1382 B8R0.5 N#CCS(=O)CC(O)=O Amb18984975 [0,1,0,0,0,0|3,0,0]=4 1383 B8R0.5 N#CC[C@H](O)CC(O)=O Amb25294743 [0,1,0,0,0,0|2,0,0]=3 1384 B8R0.5 NC(=O)CS(=O)CCO Amb24502237 [0,1,0,0,0,0|3,0,0]=4 1385 B8R0.5 NC(=O)C[C@@H](O)CC#N Amb22226710 [0,1,0,0,0,0|3,0,0]=4 1386 B8R0.5 NC(=O)C[C@H](O)CC#N Amb22225367 [0,1,0,0,0,0|3,0,0]=4 1387 B8R0.5 NCCC(O)CP(O)=O Amb25708296 [0,1,0,0,0,0|3,0,0]=4 1388 B8R0.5 NCCS(=O)CC(O)=O Amb25124054 [0,1,0,0,0,0|3,0,0]=4 1389 B8R0.5 NCC[C@@H](CC(=O)O)N Amb10067021 [0,1,0,0,0,0|2,0,0]=3 1390 B8R0.5 NCC[C@H](CC(=O)O)N Amb10067019 [0,1,0,0,0,0|2,0,0]=3 1391 B8R0.5 N[C@@H](CCO)CC(O)=O Amb25851007 [0,1,0,0,0,0|1,0,0]=2 1392 B8R0.5 OC(=O)CS(=O)CCF Amb25094766 [0,1,0,0,0,0|3,0,0]=4 1393 B8R0.5 OCCN(CC(=O)C)C Amb10608107 [0,1,0,0,0,0|2,0,0]=3 1394 B8R0.5 OCCN(CC(=O)Cl)C Amb17142874 [0,1,0,0,0,0|2,0,0]=3 1395 B8R0.5 OCCN(CC(=O)N)C Amb17142858 [0,1,0,0,0,0|2,0,0]=3 1396 B8R0.5 OCCN(CC(=S)N)C Amb17120471 [0,1,0,0,0,0|2,1,0]=4 1397 B8R0.16 C=CC(CC(O)=O)C=C Amb18642422 [0,1,0,0,0,0|1,0,2]=4 1398 B8R0.16 C=CC(CC(O)=O)CO Amb25690344 [0,1,0,0,0,0|0,0,1]=2 1399 B8R0.16 C=C[C@H](CC(O)=O)CO Amb24534457 [0,1,0,0,0,0|0,0,1]=2 1400 B8R0.16 CC(=C)CC(CO)C=C Amb25333577 [0,1,0,0,0,0|2,0,1]=4 1401 B8R0.16 CC(=C)CC(CO)CO Amb24464721 [0,1,0,0,0,0|2,0,0]=3 1402 B8R0.16 CC(=O)CC(CC)=CC Amb24551554 [0,1,0,0,0,0|2,0,1]=4 1403 B8R0.16 CC(=O)CC(CC)CC Amb25791160 [0,1,0,0,0,0|2,0,0]=3 1404 B8R0.16 CC(=O)CC(SC)SC Amb24689832 [0,1,0,0,0,0|3,0,0]=4 1405 B8R0.16 CC(=O)NC(CO)C#N Amb25146145 [0,1,0,0,0,0|2,0,1]=4 1406 B8R0.16 CC(=O)NC(CO)CO Amb25127062 [0,1,0,0,0,0|2,0,0]=3 1407 B8R0.16 CC(=O)NC(CO)CS Amb25685905 [0,1,0,0,0,0|2,0,0]=3 1408 B8R0.16 CC(=O)N[C@@H](CO)C=O Amb24761306 [0,1,0,0,0,0|2,0,1]=4 1409 B8R0.16 CC(=O)N[C@H](CO)C=O Amb25145985 [0,1,0,0,0,0|2,0,1]=4 1410 B8R0.16 CC(=O)OC(CC)CC Amb24617396 [0,1,0,0,0,0|3,0,0]=4 1411 B8R0.16 CC(=O)OC(CN)CO Amb25663259 [0,1,0,0,0,0|2,0,0]=3 1412 B8R0.16 CC(=O)OC(CO)CO Amb24479923 [0,1,0,0,0,0|2,0,0]=3 1413 B8R0.16 CC(=O)OC(CS)CBr Amb24446024 [0,1,0,0,0,0|2,1,0]=4 1414 B8R0.16 CC(=O)OC(CS)CCl Amb24584930 [0,1,0,0,0,0|2,1,0]=4 1415 B8R0.16 CC(=O)O[C@@H](CCl)CBr Amb25053056 [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.16 CC(=O)O[C@H](CO)C=C Amb25098569 [0,1,0,0,0,0|2,0,1]=4 1417 B8R0.16 CC(=O)SC(CCl)CCl Amb24479930 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.16 CC(=O)SC(CN)CN Amb24117511 [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.16 CC(C)=CC(CO)CO Amb25055722 [0,1,0,0,0,0|2,0,1]=4 1420 B8R0.16 CC(C)CC(CO)CC Amb22641858 [0,1,0,0,0,0|2,0,1]=4 1421 B8R0.16 CC(C)CC(CO)NC Amb18307102 [0,1,0,0,0,0|2,0,1]=4 1422 B8R0.16 CC(C)C[C@@H](CO)NC Amb24382584 [0,1,0,0,0,0|2,0,1]=4 1423 B8R0.16 CC(C)C[C@H](CO)CC Amb24657452 [0,1,0,0,0,0|2,0,1]=4 1424 B8R0.16 CC(C)C[C@H](CO)NC Amb25146155 [0,1,0,0,0,0|2,0,1]=4 1425 B8R0.16 CC(O)CC(CO)OC Amb25306517 [0,1,0,0,0,0|1,0,1]=3 1426 B8R0.16 CCC(CB(O)O)CC Amb24360547 [0,1,0,0,0,0|2,0,1]=4 1427 B8R0.16 CCC(CBr)NC(C)=O Amb25725356 [0,1,0,0,0,0|3,0,0]=4 1428 B8R0.16 CCC(CC(=O)Cl)CCl Amb25189070 [0,1,0,0,0,0|2,0,0]=3 1429 B8R0.16 CCC(CC(C)=O)C#N Amb18642298 [0,1,0,0,0,0|2,0,1]=4 1430 B8R0.16 CCC(CC(C)=O)C=O Amb18642641 [0,1,0,0,0,0|1,0,2]=4 1431 B8R0.16 CCC(CC(C)=O)OC Amb25053006 [0,1,0,0,0,0|2,0,0]=3 1432 B8R0.16 CCC(CC(C)=O)SC Amb24467065 [0,1,0,0,0,0|2,0,0]=3 1433 B8R0.16 CCC(CC(N)=N)CC Amb25213951 [0,1,0,0,0,0|3,0,0]=4 1434 B8R0.16 CCC(CC(N)=O)=CC Amb24610057 [0,1,0,0,0,0|2,0,1]=4 1435 B8R0.16 CCC(CC(N)=O)C#N Amb25366882 [0,1,0,0,0,0|2,0,1]=4 1436 B8R0.16 CCC(CC(N)=O)C=C Amb25691393 [0,1,0,0,0,0|2,0,1]=4 1437 B8R0.16 CCC(CC(N)=S)CC Amb24642789 [0,1,0,0,0,0|2,1,0]=4 1438 B8R0.16 CCC(CC(O)=O)C=C Amb18642661 [0,1,0,0,0,0|1,0,1]=3 1439 B8R0.16 CCC(CC(O)=O)C=O Amb25372312 [0,1,0,0,0,0|0,0,2]=3 1440 B8R0.16 CCC(CC(O)=O)CO Amb25188910 [0,1,0,0,0,0|0,0,0]=1 1441 B8R0.16 CCC(CC(O)=O)NC Amb25190337 [0,1,0,0,0,0|1,0,0]=2 1442 B8R0.16 CCC(CC(O)=O)OC Amb19037306 [0,1,0,0,0,0|1,0,0]=2 1443 B8R0.16 CCC(CC(O)=O)SC Amb18316304 [0,1,0,0,0,0|1,0,0]=2 1444 B8R0.16 CCC(CC)OC(N)=O Amb24614586 [0,1,0,0,0,0|3,0,0]=4 1445 B8R0.16 CCC(CN)CC(C)=C Amb24359882 [0,1,0,0,0,0|3,0,0]=4 1446 B8R0.16 CCC(CN)CC(O)=O Amb20669457 [0,1,0,0,0,0|1,0,0]=2 1447 B8R0.16 CCC(CN)CC(O)=O Amb22059482 [0,1,0,0,0,0|1,0,0]=2 1448 B8R0.16 CCC(CN)NC(C)=O Amb18112590 [0,1,0,0,0,0|3,0,0]=4 1449 B8R0.16 CCC(CN)NC(N)=O Amb18908302 [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.16 CCC(CO)CC(C)=C Amb25219191 [0,1,0,0,0,0|2,0,0]=3 1451 B8R0.16 CCC(CO)CN(C)C Amb25716404 [0,1,0,0,0,0|3,0,0]=4 1452 B8R0.16 CCC(CO)NC(C)=S Amb25258075 [0,1,0,0,0,0|2,1,0]=4 1453 B8R0.16 CCC(C[N+]([O-])=O)CC Amb25174023 [0,1,0,0,0,0|2,0,1]=4 1454 B8R0.16 CCC(NC(=O)N)CC Amb1138537 [0,1,0,0,0,0|3,0,0]=4 1455 B8R0.16 CCN(CC(O)=O)C=O Amb18972736 [0,1,0,0,0,0|1,0,2]=4 1456 B8R0.16 CCN(CC(O)=O)CC Amb19258254 [0,1,0,0,0,0|2,0,0]=3 1457 B8R0.16 CCN(CC([O-])=O)CC Amb22732183 [0,1,0,0,0,0|2,0,1]=4 1458 B8R0.16 CCP(CC(N)=O)CC Amb24383719 [0,1,0,0,0,0|3,0,0]=4 1459 B8R0.16 CCP(CC(O)=O)CC Amb24687205 [0,1,0,0,0,0|2,0,0]=3 1460 B8R0.16 CC[C@@H](CC(N)=O)C=C Amb24476683 [0,1,0,0,0,0|2,0,1]=4 1461 B8R0.16 CC[C@@H](CN)CC(C)=C Amb24393061 [0,1,0,0,0,0|3,0,0]=4 1462 B8R0.16 CC[C@@H](CO)NC(N)=N Amb25169417 [0,1,0,0,0,0|3,0,0]=4 1463 B8R0.16 CC[C@@H](CO)\C=C(\C)/Br Amb24352998 [0,1,0,0,0,0|2,0,1]=4 1464 B8R0.16 CC[C@H](CC(C)=O)C=O Amb25687293 [0,1,0,0,0,0|1,0,2]=4 1465 B8R0.16 CC[C@H](CO)NC(C)=O Amb24444629 [0,1,0,0,0,0|2,0,0]=3 1466 B8R0.16 CC[C@H](CO)NC(C)=S Amb24477766 [0,1,0,0,0,0|2,1,0]=4 1467 B8R0.16 CC[C@H](CO)NC(N)=N Amb24672152 [0,1,0,0,0,0|3,0,0]=4 1468 B8R0.16 CC[C@H](CO)NS(C)=O Amb24570649 [0,1,0,0,0,0|3,0,0]=4 1469 B8R0.16 CC\C(\CC(O)=O)=C/C Amb18642626 [0,1,0,0,0,0|1,0,1]=3 1470 B8R0.16 CC\[N+](\CC(O)=O)=N\[O-] Amb25365958 [0,1,0,0,0,0|2,0,1]=4 1471 B8R0.16 CN(C)CC(CN)CO Amb25032251 [0,1,0,0,0,0|3,0,0]=4 1472 B8R0.16 CN(C)CC(CO)CO Amb25333581 [0,1,0,0,0,0|3,0,0]=4 1473 B8R0.16 COC(CBr)OC(C)=O Amb25797965 [0,1,0,0,0,0|3,0,0]=4 1474 B8R0.16 COC(CC(=O)N)OC Amb2417314 [0,1,0,0,0,0|3,0,0]=4 1475 B8R0.16 COC(CC(C)=O)C=O Amb25798334 [0,1,0,0,0,0|1,0,2]=4 1476 B8R0.16 COC(CC(O)=O)C=C Amb18642791 [0,1,0,0,0,0|1,0,1]=3 1477 B8R0.16 COC(CC(O)=O)CO Amb25738299 [0,1,0,0,0,0|0,0,0]=1 1478 B8R0.16 COC(CC(O)=O)OC Amb22231899 [0,1,0,0,0,0|2,0,0]=3 1479 B8R0.16 COC(CC)OC(N)=O Amb25055387 [0,1,0,0,0,0|3,0,0]=4 1480 B8R0.16 COC(CCl)=CC(O)=O Amb25690575 [0,1,0,0,0,0|1,0,2]=4 1481 B8R0.16 COC(CO)CC(C)=C Amb25680510 [0,1,0,0,0,0|2,0,0]=3 1482 B8R0.16 CO[C@H](CC(O)=O)C#C Amb25773997 [0,1,0,0,0,0|1,0,1]=3 1483 B8R0.16 CO[C@H](CO)CC(C)=C Amb24592175 [0,1,0,0,0,0|2,0,0]=3 1484 B8R0.16 CSC(CC(=O)Cl)CCl Amb25321994 [0,1,0,0,0,0|2,0,0]=3 1485 B8R0.16 C\C=C(/CC(C)O)\CO Amb25256755 [0,1,0,0,0,0|1,0,2]=4 1486 B8R0.16 ClCC(OC(=O)Cl)CCl Amb13952835 [0,1,0,0,0,0|3,0,0]=4 1487 B8R0.16 N#CC(CC(O)=O)C#N Amb25228388 [0,1,0,0,0,0|1,0,2]=4 1488 B8R0.16 NC(=N)NC(CO)CO Amb24748876 [0,1,0,0,0,0|3,0,0]=4 1489 B8R0.16 NC(=O)OC(CCl)CCl Amb24367089 [0,1,0,0,0,0|3,0,0]=4 1490 B8R0.16 NC(=O)OC(CO)CO Amb25789555 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.16 NCC(CC(O)=O)CO Amb22546422 [0,1,0,0,0,0|0,0,0]=1 1492 B8R0.16 NC[C@@H](CS)CC(O)=O Amb24562843 [0,1,0,0,0,0|0,1,0]=2 1493 B8R0.16 NC[C@H](CS)CC(O)=O Amb24598331 [0,1,0,0,0,0|0,1,0]=2 1494 B8R0.16 OC(=O)C=C(CBr)CBr Amb24481720 [0,1,0,0,0,0|1,0,2]=4 1495 B8R0.16 OC(=O)C=C(CO)CO Amb25112732 [0,1,0,0,0,0|0,0,2]=3 1496 B8R0.16 OC(=O)CC(C=O)C=O Amb24577569 [0,1,0,0,0,0|0,0,3]=4 1497 B8R0.16 OCC(CC(F)F)CO Amb25235014 [0,1,0,0,0,0|2,0,1]=4 1498 B8R0.16 OCC(CCl)OP(O)=O Amb24480240 [0,1,0,0,0,0|2,0,0]=3 1499 B8R0.16 [O-][N+](=O)OC(CO)CO Amb22732507 [0,1,0,0,0,0|2,0,1]=4 1500 B8R0.19 CC(C#N)CC(=O)NC Amb17334086 [0,1,0,0,0,0|2,0,1]=4 1501 B8R0.19 CC(C#N)CC(=O)OC Amb17334095 [0,1,0,0,0,0|1,0,1]=3 1502 B8R0.19 CC(CBr)OC(=O)CF Amb25697149 [0,1,0,0,0,0|3,0,0]=4 1503 B8R0.19 CC(CC(=C)C=O)C=O Amb24334526 [0,1,0,0,0,0|1,0,2]=4 1504 B8R0.19 CC(CC(=C)CC)CC Amb24478628 [0,1,0,0,0,0|3,0,0]=4 1505 B8R0.19 CC(CC(=O)C=C)C=C Amb25730035 [0,1,0,0,0,0|2,0,1]=4 1506 B8R0.19 CC(CC(=O)NC)NC Amb22587223 [0,1,0,0,0,0|3,0,0]=4 1507 B8R0.19 CC(CC(=O)NN)CN Amb25676980 [0,1,0,0,0,0|2,0,0]=3 1508 B8R0.19 CC(CC(=O)OC)=CBr Amb24635219 [0,1,0,0,0,0|1,0,2]=4 1509 B8R0.19 CC(CC(=O)OC)=CC Amb25215730 [0,1,0,0,0,0|1,0,2]=4 1510 B8R0.19 CC(CC(=O)OC)=CCl Amb24511859 [0,1,0,0,0,0|1,0,2]=4 1511 B8R0.19 CC(CC(=O)OC)=NC Amb25349555 [0,1,0,0,0,0|2,0,1]=4 1512 B8R0.19 CC(CC(Br)C=O)CC Amb25249112 [0,1,0,0,0,0|2,0,1]=4 1513 B8R0.19 CC(CC(N)CO)=CN Amb24655084 [0,1,0,0,0,0|3,0,0]=4 1514 B8R0.19 CC(CC(N)CO)CC Amb24721873 [0,1,0,0,0,0|2,0,1]=4 1515 B8R0.19 CC(CC(O)CBr)CC Amb24480278 [0,1,0,0,0,0|2,0,1]=4 1516 B8R0.19 CC(CC(O)CC)CO Amb25706078 [0,1,0,0,0,0|1,0,1]=3 1517 B8R0.19 CC(CC(O)CCl)CC Amb24540064 [0,1,0,0,0,0|2,0,1]=4 1518 B8R0.19 CC(CC(O)CN)CC Amb25044040 [0,1,0,0,0,0|2,0,1]=4 1519 B8R0.19 CC(CC(O)CO)CC Amb24456930 [0,1,0,0,0,0|1,0,2]=4 1520 B8R0.19 CC(CC(O)CO)CO Amb25285571 [0,1,0,0,0,0|0,0,2]=3 1521 B8R0.19 CC(CC(O)OC)CC Amb25788091 [0,1,0,0,0,0|1,0,2]=4 1522 B8R0.19 CC(CC)=CC(=O)OC Amb25334129 [0,1,0,0,0,0|1,0,2]=4 1523 B8R0.19 CC(CC)\C=C(/C)\C=O Amb18642478 [0,1,0,0,0,0|2,0,1]=4 1524 B8R0.19 CC(CCl)OC(=O)CS Amb24551053 [0,1,0,0,0,0|2,1,0]=4 1525 B8R0.19 CC(CF)NC(=O)CO Amb24481944 [0,1,0,0,0,0|2,0,0]=3 1526 B8R0.19 CC(CN)CC(=O)C=C Amb24698166 [0,1,0,0,0,0|2,0,0]=3 1527 B8R0.19 CC(CN)NC(=O)C#C Amb18251099 [0,1,0,0,0,0|3,0,0]=4 1528 B8R0.19 CC(CN)NC(=O)C=C Amb18908294 [0,1,0,0,0,0|3,0,0]=4 1529 B8R0.19 CC(CO)CC(=O)NN Amb25692312 [0,1,0,0,0,0|1,0,0]=2 1530 B8R0.19 CC(CO)CC(C)C=O Amb24340208 [0,1,0,0,0,0|1,0,1]=3 1531 B8R0.19 CC(CO)CC(N)CC Amb19149274 [0,1,0,0,0,0|2,0,1]=4 1532 B8R0.19 CC(CO)NC(=O)CBr Amb25765598 [0,1,0,0,0,0|2,0,0]=3 1533 B8R0.19 CC(CO)NC(=O)CCl Amb18791488 [0,1,0,0,0,0|2,0,0]=3 1534 B8R0.19 CC(CO)NC(C)CO Amb18124389 [0,1,0,0,0,0|2,0,1]=4 1535 B8R0.19 CC(CO)OC(C)CO Amb24060916 [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.19 CC(CO)\C=C(/C)\C=O Amb25758939 [0,1,0,0,0,0|1,0,1]=3 1537 B8R0.19 CC(CO)\C=C(\C)/CO Amb24719589 [0,1,0,0,0,0|1,0,1]=3 1538 B8R0.19 CC(CO)\C=C(\Cl)/C=C Amb25234823 [0,1,0,0,0,0|2,0,1]=4 1539 B8R0.19 CC(CS(=O)CC)CC Amb24333813 [0,1,0,0,0,0|3,0,0]=4 1540 B8R0.19 CCC(=C)CC(N)CO Amb25071226 [0,1,0,0,0,0|3,0,0]=4 1541 B8R0.19 CCC(=C)C[C@H](C)CO Amb25239868 [0,1,0,0,0,0|2,0,0]=3 1542 B8R0.19 CCC(=O)CC(=O)NO Amb24690699 [0,1,0,0,0,0|2,0,1]=4 1543 B8R0.19 CCC(=O)CC(C)C#N Amb18642307 [0,1,0,0,0,0|2,0,1]=4 1544 B8R0.19 CCC(=O)CC(C)C=O Amb18642639 [0,1,0,0,0,0|1,0,2]=4 1545 B8R0.19 CCC(=O)CC(C)CN Amb24690163 [0,1,0,0,0,0|2,0,0]=3 1546 B8R0.19 CCC(=O)CC(C)CO Amb25050722 [0,1,0,0,0,0|1,0,0]=2 1547 B8R0.19 CCC(=O)CC(Cl)CBr Amb25062486 [0,1,0,0,0,0|3,0,0]=4 1548 B8R0.19 CCC(=O)CC(N)CC Amb24481802 [0,1,0,0,0,0|3,0,0]=4 1549 B8R0.19 CCC(=O)C[C@@H](O)CCl Amb24340137 [0,1,0,0,0,0|3,0,0]=4 1550 B8R0.19 CCC(=O)C[C@H](C)C#C Amb24725316 [0,1,0,0,0,0|2,0,1]=4 1551 B8R0.19 CCC(=O)C[C@H](O)CC Amb25298397 [0,1,0,0,0,0|3,0,0]=4 1552 B8R0.19 CCC(=O)C[C@H](O)CCl Amb25359848 [0,1,0,0,0,0|3,0,0]=4 1553 B8R0.19 CCC(=O)NC(C)CCl Amb24699423 [0,1,0,0,0,0|3,0,0]=4 1554 B8R0.19 CCC(=O)NC(C)CN Amb18251126 [0,1,0,0,0,0|3,0,0]=4 1555 B8R0.19 CCC(=O)OC(C)CCl Amb25292214 [0,1,0,0,0,0|3,0,0]=4 1556 B8R0.19 CCC(=O)OC(C)CO Amb25077934 [0,1,0,0,0,0|2,0,0]=3 1557 B8R0.19 CCC(C)CC(=C)C=O Amb25131177 [0,1,0,0,0,0|2,0,0]=3 1558 B8R0.19 CCC(C)CC(=O)C#C Amb25356354 [0,1,0,0,0,0|2,0,0]=3 1559 B8R0.19 CCC(C)CC(=O)C=C Amb25134056 [0,1,0,0,0,0|2,0,0]=3 1560 B8R0.19 CCC(C)CC(=O)CBr Amb25251707 [0,1,0,0,0,0|2,0,0]=3 1561 B8R0.19 CCC(C)CC(=O)CCl Amb22395327 [0,1,0,0,0,0|2,0,0]=3 1562 B8R0.19 CCC(C)CC(=O)NN Amb24758303 [0,1,0,0,0,0|2,0,0]=3 1563 B8R0.19 CCC(C)CC(=O)OC Amb22352867 [0,1,0,0,0,0|1,0,0]=2 1564 B8R0.19 CCC(C)CC(C)C=O Amb18642673 [0,1,0,0,0,0|2,0,1]=4 1565 B8R0.19 CCC(C)CC(C)CO Amb24574609 [0,1,0,0,0,0|2,0,1]=4 1566 B8R0.19 CCC(C)CC(Cl)=NO Amb25310366 [0,1,0,0,0,0|2,0,0]=3 1567 B8R0.19 CCC(C)CC(N)=NO Amb24415677 [0,1,0,0,0,0|2,0,0]=3 1568 B8R0.19 CCC(C)CN(C)C=O Amb24438589 [0,1,0,0,0,0|3,0,0]=4 1569 B8R0.19 CCC(C)CN(C)OC Amb25852714 [0,1,0,0,0,0|3,0,0]=4 1570 B8R0.19 CCC(C)NC(=O)CN Amb21958749 [0,1,0,0,0,0|3,0,0]=4 1571 B8R0.19 CCC(C)NC(=O)CS Amb25052738 [0,1,0,0,0,0|2,1,0]=4 1572 B8R0.19 CCC(C)NC(=O)SC Amb25145616 [0,1,0,0,0,0|2,1,0]=4 1573 B8R0.19 CCC(C)OC(=O)C=C Amb22733882 [0,1,0,0,0,0|3,0,0]=4 1574 B8R0.19 CCC(C)OC(=O)C=O Amb25311231 [0,1,0,0,0,0|2,0,1]=4 1575 B8R0.19 CCC(C)OC(=O)CN Amb18307959 [0,1,0,0,0,0|3,0,0]=4 1576 B8R0.19 CCC(N)CC(=O)C#C Amb24388579 [0,1,0,0,0,0|3,0,0]=4 1577 B8R0.19 CCC(N)CC(=O)C=C Amb25108966 [0,1,0,0,0,0|3,0,0]=4 1578 B8R0.19 CCC(N)CC(=O)OC Amb18203185 [0,1,0,0,0,0|2,0,0]=3 1579 B8R0.19 CCC(N)CC(=O)OC Amb22264719 [0,1,0,0,0,0|2,0,0]=3 1580 B8R0.19 CCC(N)CC(N)=NO Amb24379538 [0,1,0,0,0,0|3,0,0]=4 1581 B8R0.19 CCC(NC(=O)CBr)C Amb17331628 [0,1,0,0,0,0|3,0,0]=4 1582 B8R0.19 CCC(NC(=O)CCl)C Amb1149867 [0,1,0,0,0,0|3,0,0]=4 1583 B8R0.19 CCC(NC(=O)OC)C Amb10568221 [0,1,0,0,0,0|2,0,0]=3 1584 B8R0.19 CCC(O)CC(=O)OC Amb24425172 [0,1,0,0,0,0|2,0,0]=3 1585 B8R0.19 CCC(O)CC(O)C=O Amb25770125 [0,1,0,0,0,0|2,0,1]=4 1586 B8R0.19 CCN(C)CC(=O)CN Amb25364572 [0,1,0,0,0,0|3,0,0]=4 1587 B8R0.19 CCN(C)CC(=O)NC Amb25304735 [0,1,0,0,0,0|3,0,0]=4 1588 B8R0.19 CCN(C)CC(=O)NN Amb19890161 [0,1,0,0,0,0|3,0,0]=4 1589 B8R0.19 CCN(C)CC(=O)NN Amb21959605 [0,1,0,0,0,0|3,0,0]=4 1590 B8R0.19 CCN(O)CC(=O)OC Amb25259900 [0,1,0,0,0,0|3,0,0]=4 1591 B8R0.19 CCS(=O)CC(=O)OC Amb18787291 [0,1,0,0,0,0|3,0,0]=4 1592 B8R0.19 CCS(=O)NC(C)CO Amb25263538 [0,1,0,0,0,0|3,0,0]=4 1593 B8R0.19 CCS(=O)N[C@H](C)CO Amb25359777 [0,1,0,0,0,0|3,0,0]=4 1594 B8R0.19 CC[C@@H](C)CC(C)C=O Amb24378509 [0,1,0,0,0,0|2,0,1]=4 1595 B8R0.19 CC[C@@H](C)C[C@H](C)C=O Amb24558292 [0,1,0,0,0,0|2,0,1]=4 1596 B8R0.19 CC[C@@H](C)NC(=O)OC Amb25368349 [0,1,0,0,0,0|2,0,0]=3 1597 B8R0.19 CC[C@@H](C)\C=C(\C)/CO Amb25185199 [0,1,0,0,0,0|2,0,1]=4 1598 B8R0.19 CC[C@@H](N)CC(=O)OC Amb20241226 [0,1,0,0,0,0|2,0,0]=3 1599 B8R0.19 CC[C@@H](O)CC(=O)OC Amb22224793 [0,1,0,0,0,0|2,0,0]=3 1600 B8R0.19 CC[C@H](C)CC(=C)C=O Amb25309429 [0,1,0,0,0,0|2,0,0]=3 1601 B8R0.19 CC[C@H](C)C[C@@H](C)C=O Amb25195051 [0,1,0,0,0,0|2,0,1]=4 1602 B8R0.19 CC[C@H](C)C[C@@H](C)CO Amb24593564 [0,1,0,0,0,0|2,0,1]=4 1603 B8R0.19 CC[C@H](C)C[C@H](C)CO Amb24726094 [0,1,0,0,0,0|2,0,1]=4 1604 B8R0.19 CC[C@H](C)NC(=O)C=C Amb24398563 [0,1,0,0,0,0|3,0,0]=4 1605 B8R0.19 CC[C@H](Cl)CC(=O)OC Amb25074562 [0,1,0,0,0,0|2,0,0]=3 1606 B8R0.19 CC[C@H](O)CC(=O)OC Amb20240681 [0,1,0,0,0,0|2,0,0]=3 1607 B8R0.19 CN(CC(=O)OC)OC Amb25072271 [0,1,0,0,0,0|3,0,0]=4 1608 B8R0.19 CN(CC)CC(=O)NN Amb10608256 [0,1,0,0,0,0|3,0,0]=4 1609 B8R0.19 CN(N=O)CC(=O)OC Amb17618624 [0,1,0,0,0,0|2,0,1]=4 1610 B8R0.19 CNC(=O)CC(C)OC Amb24673256 [0,1,0,0,0,0|3,0,0]=4 1611 B8R0.19 CNC(=O)CC(C)SC Amb24642838 [0,1,0,0,0,0|3,0,0]=4 1612 B8R0.19 CNC(=O)CC(O)CN Amb24442697 [0,1,0,0,0,0|3,0,0]=4 1613 B8R0.19 CNC(=O)NC(C)CF Amb24476735 [0,1,0,0,0,0|3,0,0]=4 1614 B8R0.19 CNC(=O)NC(C)CN Amb18251132 [0,1,0,0,0,0|3,0,0]=4 1615 B8R0.19 CNC(=O)NC(C)CO Amb24423704 [0,1,0,0,0,0|2,0,0]=3 1616 B8R0.19 CNC(=O)N[C@@H](C)CF Amb25829867 [0,1,0,0,0,0|3,0,0]=4 1617 B8R0.19 CNC(=O)N[C@@H](C)CO Amb24523142 [0,1,0,0,0,0|2,0,0]=3 1618 B8R0.19 CNC(=O)OC(C)CBr Amb25304309 [0,1,0,0,0,0|3,0,0]=4 1619 B8R0.19 CNC(=O)OC(C)CCl Amb24675681 [0,1,0,0,0,0|3,0,0]=4 1620 B8R0.19 CNC(=O)OC(C)CO Amb24477700 [0,1,0,0,0,0|2,0,0]=3 1621 B8R0.19 CNC(=S)NC(C)CO Amb25265213 [0,1,0,0,0,0|2,1,0]=4 1622 B8R0.19 CNC(C)CC(N)=NO Amb25147148 [0,1,0,0,0,0|3,0,0]=4 1623 B8R0.19 CNC(CC(=O)NC)C Amb10608347 [0,1,0,0,0,0|3,0,0]=4 1624 B8R0.19 COC(=O)CC(=C)CCl Amb24053257 [0,1,0,0,0,0|1,0,2]=4 1625 B8R0.19 COC(=O)CC(=O)CBr Amb24081949 [0,1,0,0,0,0|2,0,1]=4 1626 B8R0.19 COC(=O)CC(=O)CN Amb18115867 [0,1,0,0,0,0|2,0,1]=4 1627 B8R0.19 COC(=O)CC(Br)C=O Amb18647814 [0,1,0,0,0,0|1,0,2]=4 1628 B8R0.19 COC(=O)CC(Br)CF Amb24627105 [0,1,0,0,0,0|2,0,0]=3 1629 B8R0.19 COC(=O)CC(C)C=C Amb24712566 [0,1,0,0,0,0|1,0,1]=3 1630 B8R0.19 COC(=O)CC(C)C=O Amb18642765 [0,1,0,0,0,0|0,0,2]=3 1631 B8R0.19 COC(=O)CC(C)CBr Amb24692917 [0,1,0,0,0,0|1,0,0]=2 1632 B8R0.19 COC(=O)CC(C)CN Amb18642843 [0,1,0,0,0,0|1,0,0]=2 1633 B8R0.19 COC(=O)CC(C)CO Amb24729571 [0,1,0,0,0,0|0,0,0]=1 1634 B8R0.19 COC(=O)CC(C)NO Amb25032324 [0,1,0,0,0,0|1,0,0]=2 1635 B8R0.19 COC(=O)CC(C)SC Amb19374125 [0,1,0,0,0,0|2,0,0]=3 1636 B8R0.19 COC(=O)CC(Cl)SCl Amb24710162 [0,1,0,0,0,0|3,0,0]=4 1637 B8R0.19 COC(=O)CC(N)C=C Amb25380673 [0,1,0,0,0,0|2,0,1]=4 1638 B8R0.19 COC(=O)CC(N)CN Amb22264781 [0,1,0,0,0,0|2,0,0]=3 1639 B8R0.19 COC(=O)CC(N)CN Amb25766036 [0,1,0,0,0,0|2,0,0]=3 1640 B8R0.19 COC(=O)CC(N)CO Amb24366077 [0,1,0,0,0,0|1,0,0]=2 1641 B8R0.19 COC(=O)CC(O)C=C Amb25746682 [0,1,0,0,0,0|2,0,1]=4 1642 B8R0.19 COC(=O)CC(O)CBr Amb25201054 [0,1,0,0,0,0|2,0,0]=3 1643 B8R0.19 COC(=O)CC(O)CCl Amb20241285 [0,1,0,0,0,0|2,0,0]=3 1644 B8R0.19 COC(=O)CC(O)CN Amb25146166 [0,1,0,0,0,0|2,0,0]=3 1645 B8R0.19 COC(=O)CC([NH3+])C[NH3+] Amb24112943 [0,1,0,0,0,0|2,0,0]=3 1646 B8R0.19 COC(=O)CN(C)C#N Amb24481702 [0,1,0,0,0,0|2,0,1]=4 1647 B8R0.19 COC(=O)CN(C)C=O Amb21856175 [0,1,0,0,0,0|1,0,2]=4 1648 B8R0.19 COC(=O)CN(C)C=O Amb22349764 [0,1,0,0,0,0|1,0,2]=4 1649 B8R0.19 COC(=O)CS(=O)CCl Amb24582180 [0,1,0,0,0,0|3,0,0]=4 1650 B8R0.19 COC(=O)C[C@@H](C)CO Amb22747755 [0,1,0,0,0,0|0,0,0]=1 1651 B8R0.19 COC(=O)C[C@@H](CO)O Amb13883661 [0,1,0,0,0,0|1,0,0]=2 1652 B8R0.19 COC(=O)C[C@@H](N)C=C Amb25704281 [0,1,0,0,0,0|2,0,1]=4 1653 B8R0.19 COC(=O)C[C@@H](O)C=C Amb24705874 [0,1,0,0,0,0|2,0,1]=4 1654 B8R0.19 COC(=O)C[C@@H](O)CBr Amb23437907 [0,1,0,0,0,0|2,0,0]=3 1655 B8R0.19 COC(=O)C[C@@H](O)CN Amb24113025 [0,1,0,0,0,0|2,0,0]=3 1656 B8R0.19 COC(=O)C[C@H](C)CBr Amb25249104 [0,1,0,0,0,0|1,0,0]=2 1657 B8R0.19 COC(=O)C[C@H](N)CN Amb24360537 [0,1,0,0,0,0|2,0,0]=3 1658 B8R0.19 COC(=O)C[C@H](N)CO Amb24561636 [0,1,0,0,0,0|1,0,0]=2 1659 B8R0.19 COC(=O)C[C@H](O)C#C Amb24748370 [0,1,0,0,0,0|2,0,1]=4 1660 B8R0.19 COC(=O)C[C@H](O)C=C Amb25788939 [0,1,0,0,0,0|2,0,1]=4 1661 B8R0.19 COC(=O)NC(C)C#N Amb24604926 [0,1,0,0,0,0|2,0,1]=4 1662 B8R0.19 COC(=O)NC(C)C=C Amb25294663 [0,1,0,0,0,0|2,0,1]=4 1663 B8R0.19 COC(=O)NC(C)C=O Amb24359055 [0,1,0,0,0,0|1,0,2]=4 1664 B8R0.19 COC(=O)NC(C)CN Amb18251139 [0,1,0,0,0,0|2,0,0]=3 1665 B8R0.19 COC(=O)N[C@@H](C)C#N Amb25688761 [0,1,0,0,0,0|2,0,1]=4 1666 B8R0.19 COC(=O)N[C@@H](C)CN Amb22747138 [0,1,0,0,0,0|2,0,0]=3 1667 B8R0.19 COC(=O)N[C@H](C)C#N Amb24476727 [0,1,0,0,0,0|2,0,1]=4 1668 B8R0.19 COC(=O)N[C@H](C)CO Amb24478791 [0,1,0,0,0,0|1,0,0]=2 1669 B8R0.19 COC(C)CC(=O)C#C Amb25188993 [0,1,0,0,0,0|3,0,0]=4 1670 B8R0.19 COC(C)CC(=O)C=C Amb25836096 [0,1,0,0,0,0|3,0,0]=4 1671 B8R0.19 COC(C)CC(=O)NO Amb24476739 [0,1,0,0,0,0|2,0,0]=3 1672 B8R0.19 COC(C)CC(C)CO Amb25215348 [0,1,0,0,0,0|1,0,1]=3 1673 B8R0.19 COC(C)CC(N)=NO Amb25116224 [0,1,0,0,0,0|3,0,0]=4 1674 B8R0.19 CON(C)CC(O)CO Amb25266186 [0,1,0,0,0,0|3,0,0]=4 1675 B8R0.19 COS(=O)OC(C)CCl Amb24339412 [0,1,0,0,0,0|3,0,0]=4 1676 B8R0.19 C[C@@H](CC(=O)C=C)C=C Amb24378496 [0,1,0,0,0,0|2,0,1]=4 1677 B8R0.19 C[C@@H](CC(=O)CC)CC Amb24448957 [0,1,0,0,0,0|2,0,0]=3 1678 B8R0.19 C[C@@H](CN)NC(=O)CN Amb25144196 [0,1,0,0,0,0|3,0,0]=4 1679 B8R0.19 C[C@@H](CO)CC(C)C=C Amb25831923 [0,1,0,0,0,0|2,0,1]=4 1680 B8R0.19 C[C@@H](CO)NC(=O)CBr Amb25794836 [0,1,0,0,0,0|2,0,0]=3 1681 B8R0.19 C[C@@H](CO)NC(=O)CCl Amb22831873 [0,1,0,0,0,0|2,0,0]=3 1682 B8R0.19 C[C@@H](CO)NC(=O)CN Amb25071829 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.19 C[C@@H](CO)O[C@@H](C)CO Amb24569985 [0,1,0,0,0,0|2,0,1]=4 1684 B8R0.19 C[C@@H](CO)\C=C(\C)/CO Amb24644328 [0,1,0,0,0,0|1,0,1]=3 1685 B8R0.19 C[C@@H](C[C@@H](O)CO)CO Amb24618764 [0,1,0,0,0,0|0,0,2]=3 1686 B8R0.19 C[C@@H](C[C@H](N)CO)CC Amb25231217 [0,1,0,0,0,0|2,0,1]=4 1687 B8R0.19 C[C@H](CC(=O)CC)CC Amb24689490 [0,1,0,0,0,0|2,0,0]=3 1688 B8R0.19 C[C@H](CC(O)C#N)CO Amb24431105 [0,1,0,0,0,0|1,0,1]=3 1689 B8R0.19 C[C@H](CC(O)C=C)CC Amb25296223 [0,1,0,0,0,0|2,0,1]=4 1690 B8R0.19 C[C@H](CN)NC(=O)C#C Amb24446307 [0,1,0,0,0,0|3,0,0]=4 1691 B8R0.19 C[C@H](CO)C[C@H](C)C=C Amb25296222 [0,1,0,0,0,0|2,0,1]=4 1692 B8R0.19 C[C@H](CO)NC(=O)C=C Amb24478792 [0,1,0,0,0,0|2,0,0]=3 1693 B8R0.19 C[C@H](CO)NC(=O)CCl Amb25823305 [0,1,0,0,0,0|2,0,0]=3 1694 B8R0.19 C[C@H](CO)N[C@@H](C)CO Amb24445899 [0,1,0,0,0,0|2,0,1]=4 1695 B8R0.19 C[C@H](CO)O[C@@H](C)CO Amb24532918 [0,1,0,0,0,0|2,0,1]=4 1696 B8R0.19 C[C@H](CO)\C=C(\C)/CO Amb24645855 [0,1,0,0,0,0|1,0,1]=3 1697 B8R0.19 C[C@H](C[C@H](C)CO)CO Amb25266477 [0,1,0,0,0,0|1,0,1]=3 1698 B8R0.19 C\C(\CC(=O)OC)=C\C Amb24453303 [0,1,0,0,0,0|1,0,2]=4 1699 B8R0.19 C\C(\CC(=O)OC)=C\Cl Amb25210836 [0,1,0,0,0,0|1,0,2]=4 1700 B8R0.19 C\C(\CCl)=C\C(=O)OC Amb25230685 [0,1,0,0,0,0|1,0,2]=4 1701 B8R0.19 C\C(\CO)=C/C(=O)CC Amb25319713 [0,1,0,0,0,0|1,0,2]=4 1702 B8R0.19 C\C=C(\C)/CC(C)CO Amb25842247 [0,1,0,0,0,0|2,0,0]=3 1703 B8R0.19 C\C=C(\C)/C[C@H](C)CO Amb25722949 [0,1,0,0,0,0|2,0,0]=3 1704 B8R0.19 NC(C[C@H](O)CO)CO Amb25230608 [0,1,0,0,0,0|1,0,2]=4 1705 B8R0.19 NCC(O)CC(=O)NO Amb25203640 [0,1,0,0,0,0|2,0,0]=3 1706 B8R0.19 NNC(=O)CC(O)CCl Amb19942496 [0,1,0,0,0,0|3,0,0]=4 1707 B8R0.19 NNC(=O)C[C@@H](O)CCl Amb24476045 [0,1,0,0,0,0|3,0,0]=4 1708 B8R0.19 NNC(=O)OC(O)CO Amb24644296 [0,1,0,0,0,0|3,0,0]=4 1709 B8R0.19 OCC(=O)CC(=O)CO Amb24608175 [0,1,0,0,0,0|1,0,1]=3 1710 B8R0.19 OCC(Cl)CC(Cl)=CCl Amb24563436 [0,1,0,0,0,0|3,0,0]=4 1711 B8R0.19 OCC(Cl)C\C(\Cl)=C\Cl Amb24558118 [0,1,0,0,0,0|3,0,0]=4 1712 B8R0.19 OCC(O)CC(O)C=O Amb22731319 [0,1,0,0,0,0|1,0,1]=3 1713 B8R0.19 OC[C@@H](O)CC(=O)C=O Amb24468249 [0,1,0,0,0,0|1,0,1]=3 1714 B8R0.19 OC[C@@H](O)C[C@@H](O)C=O Amb25340462 [0,1,0,0,0,0|1,0,1]=3 1715 B8R0.19 OC[C@H](O)C[C@@H](O)C=O Amb24441617 [0,1,0,0,0,0|1,0,1]=3 1716 B8R0.19 O[C@@H](CC(=O)CO)CO Amb24387900 [0,1,0,0,0,0|1,0,0]=2 1717 B8R0.19 O[C@@H](CC(O)CO)CO Amb24413974 [0,1,0,0,0,0|1,0,2]=4 1718 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [0,1,0,0,0,0|2,0,1]=4 1719 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [0,1,0,0,0,0|2,0,0]=3 1720 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [0,1,0,0,0,0|1,0,1]=3 1721 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [0,1,0,0,0,0|2,0,1]=4 1722 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [0,1,0,0,0,0|2,0,1]=4 1723 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [0,1,0,0,0,0|2,0,1]=4 1724 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [0,1,0,0,0,0|2,0,1]=4 1725 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [0,1,0,0,0,0|2,0,1]=4 1726 B8R0.23 CC(=CC(O)=O)C(C)F Amb25108468 [0,1,0,0,0,0|1,0,2]=4 1727 B8R0.23 CC(=CC(O)=O)C(C)N Amb24339945 [0,1,0,0,0,0|1,0,2]=4 1728 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [0,1,0,0,0,0|0,0,2]=3 1729 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [0,1,0,0,0,0|1,0,2]=4 1730 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [0,1,0,0,0,0|1,0,2]=4 1731 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,1,0,0,0,0|2,0,1]=4 1732 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [0,1,0,0,0,0|1,0,1]=3 1733 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,1,0,0,0,0|2,0,1]=4 1734 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,1,0,0,0,0|2,0,1]=4 1735 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,1,0,0,0,0|2,0,1]=4 1736 B8R0.23 CC(=O)C[C@@H](C)C(C)=C Amb25347412 [0,1,0,0,0,0|2,0,1]=4 1737 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,1,0,0,0,0|1,0,1]=3 1738 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,1,0,0,0,0|2,0,1]=4 1739 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,1,0,0,0,0|2,0,1]=4 1740 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [0,1,0,0,0,0|2,0,1]=4 1741 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [0,1,0,0,0,0|2,0,1]=4 1742 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [0,1,0,0,0,0|2,0,1]=4 1743 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [0,1,0,0,0,0|0,0,2]=3 1744 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [0,1,0,0,0,0|1,0,2]=4 1745 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [0,1,0,0,0,0|0,0,2]=3 1746 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [0,1,0,0,0,0|1,1,1]=4 1747 B8R0.23 CC(C(C)C)CC(=O)O Amb10844380 [0,1,0,0,0,0|1,0,0]=2 1748 B8R0.23 CC(C)=C(C)CC(O)=O Amb18642613 [0,1,0,0,0,0|1,0,2]=4 1749 B8R0.23 CC(C)C(=C)CC(O)=O Amb25074109 [0,1,0,0,0,0|1,0,2]=4 1750 B8R0.23 CC(C)C(Br)CC(N)=O Amb25706465 [0,1,0,0,0,0|3,0,0]=4 1751 B8R0.23 CC(C)C(C)CC(C)=O Amb25835876 [0,1,0,0,0,0|2,0,0]=3 1752 B8R0.23 CC(C)C(C)CC(N)=O Amb25146130 [0,1,0,0,0,0|2,0,0]=3 1753 B8R0.23 CC(C)C(C)NC(C)=O Amb23329033 [0,1,0,0,0,0|3,0,0]=4 1754 B8R0.23 CC(C)C(C)OC(C)=O Amb24458336 [0,1,0,0,0,0|3,0,0]=4 1755 B8R0.23 CC(C)C(Cl)CC(=O)Cl Amb24479955 [0,1,0,0,0,0|3,0,0]=4 1756 B8R0.23 CC(C)C(F)CC(O)=O Amb25854273 [0,1,0,0,0,0|2,0,0]=3 1757 B8R0.23 CC(C)C(N)CC(=O)Cl Amb24763731 [0,1,0,0,0,0|3,0,0]=4 1758 B8R0.23 CC(C)C(N)CC(=O)S Amb24477693 [0,1,0,0,0,0|2,1,0]=4 1759 B8R0.23 CC(C)C(N)CC(N)=O Amb18296021 [0,1,0,0,0,0|3,0,0]=4 1760 B8R0.23 CC(C)C(O)CC(C)=O Amb24079595 [0,1,0,0,0,0|3,0,0]=4 1761 B8R0.23 CC(C)C(O)CC(N)=O Amb24481942 [0,1,0,0,0,0|3,0,0]=4 1762 B8R0.23 CC(C)C(S)CC(C)=O Amb24736725 [0,1,0,0,0,0|3,0,0]=4 1763 B8R0.23 CC(C)N(C)CC(C)=O Amb22587141 [0,1,0,0,0,0|3,0,0]=4 1764 B8R0.23 CC(C)N(C)CC(N)=O Amb24384718 [0,1,0,0,0,0|3,0,0]=4 1765 B8R0.23 CC(C)[C@@H](N)CC(O)=O Amb22226647 [0,1,0,0,0,0|2,0,0]=3 1766 B8R0.23 CC(C)[C@@H](O)CC(C)=O Amb25147078 [0,1,0,0,0,0|3,0,0]=4 1767 B8R0.23 CC(C)[C@@H](O)CC(O)=O Amb25761246 [0,1,0,0,0,0|2,0,0]=3 1768 B8R0.23 CC(C)[C@H](C)CC(C)=O Amb25188966 [0,1,0,0,0,0|2,0,0]=3 1769 B8R0.23 CC(C)[C@H](N)CC(N)=O Amb24481857 [0,1,0,0,0,0|3,0,0]=4 1770 B8R0.23 CC(C)[C@H](N)CC(O)=O Amb20240790 [0,1,0,0,0,0|2,0,0]=3 1771 B8R0.23 CC(C)[C@H](O)CC(C)=O Amb25135567 [0,1,0,0,0,0|3,0,0]=4 1772 B8R0.23 CC(C)[C@H](O)CC(O)=O Amb24561913 [0,1,0,0,0,0|2,0,0]=3 1773 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,1,0,0,0,0|1,0,2]=4 1774 B8R0.23 CC(CC(C)=C)C(C)N Amb25136931 [0,1,0,0,0,0|3,0,0]=4 1775 B8R0.23 CC(CC(C)=O)C(C)O Amb24339979 [0,1,0,0,0,0|1,0,0]=2 1776 B8R0.23 CC(CC(C)=O)S(C)=O Amb25712236 [0,1,0,0,0,0|2,0,1]=4 1777 B8R0.23 CC(CC(N)=O)C(N)=N Amb25325023 [0,1,0,0,0,0|2,0,1]=4 1778 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,1,0,0,0,0|1,0,1]=3 1779 B8R0.23 CC(CC(O)=O)C(C)N Amb23536744 [0,1,0,0,0,0|1,0,0]=2 1780 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [0,1,0,0,0,0|0,0,2]=3 1781 B8R0.23 CC(CC(O)=O)N(C)N Amb25699365 [0,1,0,0,0,0|2,0,0]=3 1782 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [0,1,0,0,0,0|1,0,1]=3 1783 B8R0.23 CC(CC([O-])=O)S([O-])=O Amb22470749 [0,1,0,0,0,0|1,0,2]=4 1784 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [0,1,0,0,0,0|2,0,1]=4 1785 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [0,1,0,0,0,0|2,0,1]=4 1786 B8R0.23 CC(N(C)C)CC(=O)N Amb17231867 [0,1,0,0,0,0|3,0,0]=4 1787 B8R0.23 CC(N(CC(=O)O)C)C Amb10609863 [0,1,0,0,0,0|2,0,0]=3 1788 B8R0.23 CC(NC(C)=O)B(O)O Amb25125858 [0,1,0,0,0,0|3,0,0]=4 1789 B8R0.23 CC(NC(C)=O)C(C)O Amb25188915 [0,1,0,0,0,0|2,0,0]=3 1790 B8R0.23 CC(NS(C)=O)C(C)O Amb24737712 [0,1,0,0,0,0|3,0,0]=4 1791 B8R0.23 CC(O)C(C)CC(C)O Amb25308000 [0,1,0,0,0,0|1,0,1]=3 1792 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [0,1,0,0,0,0|0,0,0]=1 1793 B8R0.23 CC(O)C(O)CC(C)=C Amb24740055 [0,1,0,0,0,0|3,0,0]=4 1794 B8R0.23 CC(O)C(O)CC(C)=O Amb25708226 [0,1,0,0,0,0|2,0,0]=3 1795 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [0,1,0,0,0,0|1,0,2]=4 1796 B8R0.23 CC(OC(C)=O)C(C)Br Amb25321799 [0,1,0,0,0,0|3,0,0]=4 1797 B8R0.23 CC(OC(C)=O)C(C)Cl Amb24480182 [0,1,0,0,0,0|3,0,0]=4 1798 B8R0.23 CC(OC(N)=O)C(Cl)Cl Amb25073848 [0,1,0,0,0,0|3,0,0]=4 1799 B8R0.23 CC(OP(=O)S)C(C)O Amb24421629 [0,1,0,0,0,0|2,1,0]=4 1800 B8R0.23 CC(S(=O)CC(=O)O)C Amb10608021 [0,1,0,0,0,0|3,0,0]=4 1801 B8R0.23 CC(SC(N)=N)C(C)O Amb25858544 [0,1,0,0,0,0|3,0,0]=4 1802 B8R0.23 CC(SC(N)=S)C(C)O Amb25147127 [0,1,0,0,0,0|2,1,0]=4 1803 B8R0.23 CC(\C(=C\C(=O)O)\C)C Amb17506861 [0,1,0,0,0,0|1,0,2]=4 1804 B8R0.23 CN(CC(C(O)C)C)C Amb17593384 [0,1,0,0,0,0|3,0,0]=4 1805 B8R0.23 CN(CC(O)=O)C(N)=N Amb22002328 [0,1,0,0,0,0|2,0,1]=4 1806 B8R0.23 CN(CC(O)=O)C(N)=N Amb22167307 [0,1,0,0,0,0|2,0,1]=4 1807 B8R0.23 CN(CC(O)=O)C(N)=S Amb25115737 [0,1,0,0,0,0|1,1,1]=4 1808 B8R0.23 CN(CC(O)=O)[13C](N)=N Amb22367285 [0,1,0,0,0,0|2,0,1]=4 1809 B8R0.23 C[C@@H](C(C)C)CC(=O)O Amb10844387 [0,1,0,0,0,0|1,0,0]=2 1810 B8R0.23 C[C@@H](CC(C)=C)[C@H](C)N Amb25267568 [0,1,0,0,0,0|3,0,0]=4 1811 B8R0.23 C[C@@H](CC(O)=O)C(Cl)Cl Amb24480304 [0,1,0,0,0,0|1,0,0]=2 1812 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,1,0,0,0,0|0,0,1]=2 1813 B8R0.23 C[C@@H](Cl)[C@H](C)OC(=O)Cl Amb25765785 [0,1,0,0,0,0|3,0,0]=4 1814 B8R0.23 C[C@@H](N)[C@@H](O)CC(O)=O Amb25188895 [0,1,0,0,0,0|2,0,0]=3 1815 B8R0.23 C[C@@H](N)[C@H](O)CP(O)=O Amb25236573 [0,1,0,0,0,0|3,0,0]=4 1816 B8R0.23 C[C@@H](NC(C)=O)B(O)O Amb24741011 [0,1,0,0,0,0|3,0,0]=4 1817 B8R0.23 C[C@@H](NC(C)=O)[C@@H](C)Br Amb24366649 [0,1,0,0,0,0|3,0,0]=4 1818 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [0,1,0,0,0,0|1,0,0]=2 1819 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [0,1,0,0,0,0|1,0,0]=2 1820 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [0,1,0,0,0,0|1,0,0]=2 1821 B8R0.23 C[C@@H](OC(C)=O)[C@@H](C)Br Amb24480012 [0,1,0,0,0,0|3,0,0]=4 1822 B8R0.23 C[C@@H](OC(C)=O)[C@@H](C)Cl Amb25146769 [0,1,0,0,0,0|3,0,0]=4 1823 B8R0.23 C[C@@H](OC(C)=O)[C@@H](C)O Amb25333442 [0,1,0,0,0,0|2,0,0]=3 1824 B8R0.23 C[C@@H](OC(C)=O)[C@H](C)Br Amb24432955 [0,1,0,0,0,0|3,0,0]=4 1825 B8R0.23 C[C@@H](OC(C)=O)[C@H](C)Cl Amb24740430 [0,1,0,0,0,0|3,0,0]=4 1826 B8R0.23 C[C@H](CC(C)=C)[C@@H](C)N Amb25125319 [0,1,0,0,0,0|3,0,0]=4 1827 B8R0.23 C[C@H](CC(C)=C)[C@@H](C)O Amb25113682 [0,1,0,0,0,0|2,0,0]=3 1828 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [0,1,0,0,0,0|1,0,2]=4 1829 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,1,0,0,0,0|1,0,1]=3 1830 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,1,0,0,0,0|0,0,1]=2 1831 B8R0.23 C[C@H](N)[C@@H](O)CC(O)=O Amb25727721 [0,1,0,0,0,0|2,0,0]=3 1832 B8R0.23 C[C@H](NC(C)=O)[C@@H](C)Br Amb25075106 [0,1,0,0,0,0|3,0,0]=4 1833 B8R0.23 C[C@H](NC(C)=O)[C@@H](C)O Amb25132762 [0,1,0,0,0,0|2,0,0]=3 1834 B8R0.23 C[C@H](NC(N)=O)[C@@H](C)Br Amb24480158 [0,1,0,0,0,0|3,0,0]=4 1835 B8R0.23 C[C@H](NC(N)=O)[C@@H](C)O Amb24562842 [0,1,0,0,0,0|2,0,0]=3 1836 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [0,1,0,0,0,0|1,0,2]=4 1837 B8R0.23 C[C@H](OC(C)=O)[C@@H](C)Br Amb24558149 [0,1,0,0,0,0|3,0,0]=4 1838 B8R0.23 C[C@H](OC(C)=O)[C@@H](C)O Amb24642757 [0,1,0,0,0,0|2,0,0]=3 1839 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,1,0,0,0,0|2,0,1]=4 1840 B8R0.23 C\C(=C/C(O)=O)\C(C)F Amb25331272 [0,1,0,0,0,0|1,0,2]=4 1841 B8R0.23 C\C(=C/C(O)=O)\[C@@H](C)N Amb24477674 [0,1,0,0,0,0|1,0,2]=4 1842 B8R0.23 C\C(=C/C(O)=O)\[C@H](C)N Amb24394205 [0,1,0,0,0,0|1,0,2]=4 1843 B8R0.23 C\C(=C/C(O)=O)\[C@H](C)O Amb24340136 [0,1,0,0,0,0|0,0,2]=3 1844 B8R0.23 C\C(=C\C(O)=O)\C(=N)O Amb24387420 [0,1,0,0,0,0|0,0,3]=4 1845 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [0,1,0,0,0,0|1,0,2]=4 1846 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [0,1,0,0,0,0|1,0,2]=4 1847 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,1,0,0,0,0|1,0,1]=3 1848 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,1,0,0,0,0|2,0,1]=4 1849 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,1,0,0,0,0|2,0,1]=4 1850 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,1,0,0,0,0|2,0,1]=4 1851 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,1,0,0,0,0|2,0,1]=4 1852 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,1,0,0,0,0|2,0,1]=4 1853 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [0,1,0,0,0,0|1,0,2]=4 1854 B8R0.23 NC(C(C)C)CC(=O)O Amb2436060 [0,1,0,0,0,0|2,0,0]=3 1855 B8R0.23 NC(CC(N)=O)C(Cl)Cl Amb25227960 [0,1,0,0,0,0|3,0,0]=4 1856 B8R0.23 NC(CC(O)=O)C(F)F Amb23570587 [0,1,0,0,0,0|2,0,0]=3 1857 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,1,0,0,0,0|1,0,1]=3 1858 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [0,1,0,0,0,0|1,0,2]=4 1859 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [0,1,0,0,0,0|1,0,2]=4 1860 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [0,1,0,0,0,0|1,0,2]=4 1861 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [0,1,0,0,0,0|1,0,2]=4 1862 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [0,1,0,0,0,0|1,0,2]=4 1863 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,1,0,0,0,0|1,0,1]=3 1864 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,1,0,0,0,0|1,0,2]=4 1865 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,1,0,0,0,0|2,0,1]=4 1866 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,1,0,0,0,0|1,0,1]=3 1867 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,1,0,0,0,0|1,0,1]=3 1868 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,1,0,0,0,0|1,0,1]=3 1869 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,1,0,0,0,0|1,0,1]=3 1870 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,1,0,0,0,0|2,0,1]=4 1871 B8R0.23 N[C@@H](C(C)C)CC(=O)O Amb16184024 [0,1,0,0,0,0|2,0,0]=3 1872 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [0,1,0,0,0,0|1,0,2]=4 1873 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [0,1,0,0,0,0|1,0,2]=4 1874 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [0,1,0,0,0,0|1,0,2]=4 1875 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [0,1,0,0,0,0|1,0,2]=4 1876 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [0,1,0,0,0,0|1,0,2]=4 1877 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,1,0,0,0,0|1,0,2]=4 1878 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,1,0,0,0,0|1,0,2]=4 1879 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,1,0,0,0,0|2,0,1]=4 1880 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,1,0,0,0,0|1,0,1]=3 1881 B8R0.23 N[C@H](C(C)C)CC(=O)O Amb16184030 [0,1,0,0,0,0|2,0,0]=3 1882 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,1,0,0,0,0|2,0,1]=4 1883 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [0,1,0,0,0,0|2,0,0]=3 1884 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,1,0,0,0,0|2,0,1]=4 1885 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,1,0,0,0,0|1,0,2]=4 1886 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [0,1,0,0,0,0|2,0,1]=4 1887 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,1,0,0,0,0|1,0,1]=3 1888 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,1,0,0,0,0|1,1,1]=4 1889 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,1,0,0,0,0|1,0,1]=3 1890 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,1,0,0,0,0|1,0,1]=3 1891 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,1,0,0,0,0|0,0,1]=2 1892 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [0,1,0,0,0,0|1,0,2]=4 1893 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,1,0,0,0,0|1,0,1]=3 1894 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [0,1,0,0,0,0|2,0,1]=4 1895 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [0,1,0,0,0,0|1,0,2]=4 1896 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [0,1,0,0,0,0|1,0,2]=4 1897 B8R0.23 OC(=O)CN(C(=S)S)C Amb1042470 [0,1,0,0,0,0|1,1,1]=4 1898 B8R0.23 OC(=O)CS(=O)C(F)F Amb18979309 [0,1,0,0,0,0|3,0,0]=4 1899 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,1,0,0,0,0|1,0,1]=3 1900 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [0,1,0,0,0,0|1,0,0]=2 1901 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,1,0,0,0,0|1,0,1]=3 1902 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,1,0,0,0,0|1,0,1]=3 1903 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,1,0,0,0,0|1,0,1]=3 1904 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,1,0,0,0,0|1,0,1]=3 1905 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,1,0,0,0,0|1,0,1]=3 1906 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,1,0,0,0,0|1,0,1]=3 1907 B8R0.23 OC(C(C)C)CC(=O)O Amb17231878 [0,1,0,0,0,0|2,0,0]=3 1908 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,1,0,0,0,0|1,0,1]=3 1909 B8R0.23 [13CH3]N(CC(O)=O)C(N)=N Amb22367286 [0,1,0,0,0,0|2,0,1]=4 1910 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,1,0,0,0,0|2,0,1]=4 1911 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,1,0,0,0,0|2,0,1]=4 1912 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,1,0,0,0,0|1,0,1]=3 1913 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,1,0,0,0,0|1,0,1]=3 1914 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,1,0,0,0,0|1,0,1]=3 1915 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,1,0,0,0,0|2,0,1]=4 1916 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,1,0,0,0,0|1,0,1]=3 1917 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,1,0,0,0,0|1,0,2]=4 1918 B8R0.24 CC(C)(O)CC(N)CO Amb24392215 [0,1,0,0,0,0|2,0,1]=4 1919 B8R0.24 CC(C)(O)CC(O)CO Amb24687761 [0,1,0,0,0,0|2,0,1]=4 1920 B8R0.24 CC(C)(O)C[C@H](O)CO Amb24502367 [0,1,0,0,0,0|2,0,1]=4 1921 B8R0.24 CC(CBr)CS(C)(=O)=O Amb25142899 [0,1,0,0,0,0|2,0,1]=4 1922 B8R0.24 CC(CC(C)(C)O)CO Amb24588340 [0,1,0,0,0,0|1,0,1]=3 1923 B8R0.24 CC(CCl)CS(C)(=O)=O Amb20668805 [0,1,0,0,0,0|2,0,1]=4 1924 B8R0.24 CC(CN)CS(C)(=O)=O Amb18908423 [0,1,0,0,0,0|2,0,1]=4 1925 B8R0.24 CC(CN)OP(O)(O)=O Amb24407674 [0,1,0,0,0,0|3,0,0]=4 1926 B8R0.24 CC(CN)SS(O)(=O)=O Amb25147091 [0,1,0,0,0,0|3,0,0]=4 1927 B8R0.24 CC(CO)CC(C)(C)N Amb19149268 [0,1,0,0,0,0|2,0,1]=4 1928 B8R0.24 CC(CO)CS(N)(=O)=O Amb25284475 [0,1,0,0,0,0|1,0,1]=3 1929 B8R0.24 CC(CO)CS([O-])(=O)=O Amb24733227 [0,1,0,0,0,0|1,0,1]=3 1930 B8R0.24 CC(CO)C[Si](C)(C)C Amb25381460 [0,1,0,0,0,0|2,1,0]=4 1931 B8R0.24 CC(CO)NS(N)(=O)=O Amb25188992 [0,1,0,0,0,0|2,0,1]=4 1932 B8R0.24 CC(CO)OCl(=O)(=O)=O Amb25106726 [0,1,0,0,0,0|2,0,1]=4 1933 B8R0.24 CC(CO)OP(O)(O)=O Amb25121032 [0,1,0,0,0,0|2,0,0]=3 1934 B8R0.24 CC(CO)OS(=O)(=O)F Amb24733328 [0,1,0,0,0,0|2,0,1]=4 1935 B8R0.24 CC(CP(O)(O)=O)C=O Amb25134096 [0,1,0,0,0,0|1,0,2]=4 1936 B8R0.24 CC(CS(=O)(=O)Cl)CCl Amb20623341 [0,1,0,0,0,0|2,0,1]=4 1937 B8R0.24 CCC(C)CC(C)(C)O Amb25045207 [0,1,0,0,0,0|2,0,1]=4 1938 B8R0.24 CCC(C)CS(=O)(=O)Cl Amb18295538 [0,1,0,0,0,0|2,0,1]=4 1939 B8R0.24 CCC(C)CS(=O)(=O)F Amb19373796 [0,1,0,0,0,0|2,0,1]=4 1940 B8R0.24 CCC(C)CS(N)(=O)=O Amb18180195 [0,1,0,0,0,0|2,0,1]=4 1941 B8R0.24 CCC(Cl)CP(O)(O)=O Amb25724957 [0,1,0,0,0,0|3,0,0]=4 1942 B8R0.24 CC[C@@H](N)CS(O)(=O)=O Amb24495132 [0,1,0,0,0,0|3,0,0]=4 1943 B8R0.24 CC[C@H](N)CS(O)(=O)=O Amb25146380 [0,1,0,0,0,0|3,0,0]=4 1944 B8R0.24 CNC(C)CP(O)(O)=O Amb24381561 [0,1,0,0,0,0|3,0,0]=4 1945 B8R0.24 CP(O)(=O)CC(F)CN Amb24480226 [0,1,0,0,0,0|3,0,0]=4 1946 B8R0.24 CP(O)(=O)C[C@@H](O)CN Amb25273989 [0,1,0,0,0,0|3,0,0]=4 1947 B8R0.24 CP(O)(=O)C[C@H](F)CN Amb24543828 [0,1,0,0,0,0|3,0,0]=4 1948 B8R0.24 CS(=O)(=O)CC(O)CO Amb24470947 [0,1,0,0,0,0|2,0,1]=4 1949 B8R0.24 C[C@@H](CC(C)(C)O)CO Amb25332384 [0,1,0,0,0,0|1,0,1]=3 1950 B8R0.24 C[C@@H](CO)NS(N)(=O)=O Amb25313645 [0,1,0,0,0,0|2,0,1]=4 1951 B8R0.24 C[C@@H](CO)OS(C)(=O)=O Amb25057927 [0,1,0,0,0,0|2,0,1]=4 1952 B8R0.24 C[C@@H](CS(=O)(=O)Cl)CCl Amb25125543 [0,1,0,0,0,0|2,0,1]=4 1953 B8R0.24 C[C@H](CC(C)(C)O)CO Amb24352415 [0,1,0,0,0,0|1,0,1]=3 1954 B8R0.24 C[C@H](CO)CC(F)(F)F Amb24397984 [0,1,0,0,0,0|2,0,1]=4 1955 B8R0.24 C[C@H](CO)NS(C)(=O)=O Amb24703169 [0,1,0,0,0,0|2,0,1]=4 1956 B8R0.24 C[C@H](CO)NS(N)(=O)=O Amb25067545 [0,1,0,0,0,0|2,0,1]=4 1957 B8R0.24 C[C@H](CO)OS(C)(=O)=O Amb24431008 [0,1,0,0,0,0|2,0,1]=4 1958 B8R0.24 NCC(O)CP(O)(O)=O Amb24376767 [0,1,0,0,0,0|3,0,0]=4 1959 B8R0.24 NCC(O)CS(O)(=O)=O Amb24373242 [0,1,0,0,0,0|3,0,0]=4 1960 B8R0.24 NC[C@@H](F)CS(O)(=O)=O Amb25375836 [0,1,0,0,0,0|3,0,0]=4 1961 B8R0.24 NC[C@@H](O)CP(O)(O)=O Amb24443084 [0,1,0,0,0,0|3,0,0]=4 1962 B8R0.24 N[C@@H](CS(O)(=O)=O)CO Amb25083500 [0,1,0,0,0,0|2,0,0]=3 1963 B8R0.24 OC(CBr)CS(O)(=O)=O Amb25383408 [0,1,0,0,0,0|3,0,0]=4 1964 B8R0.24 OC(CCl)CS(O)(=O)=O Amb22338699 [0,1,0,0,0,0|3,0,0]=4 1965 B8R0.24 OC(CCl)CS(O)(=O)=O Amb24061946 [0,1,0,0,0,0|3,0,0]=4 1966 B8R0.24 OCC(CC(F)(F)F)C Amb10605701 [0,1,0,0,0,0|2,0,1]=4 1967 B8R0.24 OCC(O)CS(O)(=O)=O Amb25802047 [0,1,0,0,0,0|2,0,0]=3 1968 B8R0.24 O[C@H](CCl)CS(O)(=O)=O Amb25322010 [0,1,0,0,0,0|3,0,0]=4 1969 B8R0.24 SCC(CS(=O)(=O)O)O Amb17594311 [0,1,0,0,0,0|2,1,0]=4 1970 B8R0.34 CC(=C)CC(C)(C)CCl Amb25727696 [0,1,0,0,0,0|3,0,0]=4 1971 B8R0.34 CC(=C)CC(C)(C)CN Amb25146071 [0,1,0,0,0,0|3,0,0]=4 1972 B8R0.34 CC(=C)CC(C)(O)CCl Amb25709597 [0,1,0,0,0,0|3,0,0]=4 1973 B8R0.34 CC(=O)CC(C)(C)C#N Amb18642299 [0,1,0,0,0,0|2,0,1]=4 1974 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [0,1,0,0,0,0|1,0,2]=4 1975 B8R0.34 CC(=O)CC(C)(C)CO Amb24689736 [0,1,0,0,0,0|1,0,0]=2 1976 B8R0.34 CC(=O)CC(C)(C)NO Amb24736823 [0,1,0,0,0,0|2,0,0]=3 1977 B8R0.34 CC(=O)CC(C)(C)ON Amb24707795 [0,1,0,0,0,0|3,0,0]=4 1978 B8R0.34 CC(=O)CC(C)(C)OO Amb24079585 [0,1,0,0,0,0|2,0,0]=3 1979 B8R0.34 CC(=O)CC(C)(O)C#N Amb24349635 [0,1,0,0,0,0|2,0,1]=4 1980 B8R0.34 CC(=O)NC(C)(C)CF Amb25711849 [0,1,0,0,0,0|3,0,0]=4 1981 B8R0.34 CC(=O)OC(C)(C)CBr Amb24710435 [0,1,0,0,0,0|3,0,0]=4 1982 B8R0.34 CC(C)(CBr)CC(O)=O Amb24480039 [0,1,0,0,0,0|1,0,0]=2 1983 B8R0.34 CC(C)(CBr)NC(N)=O Amb24340306 [0,1,0,0,0,0|3,0,0]=4 1984 B8R0.34 CC(C)(CBr)OC(=O)Cl Amb24480342 [0,1,0,0,0,0|3,0,0]=4 1985 B8R0.34 CC(C)(CBr)OC(N)=O Amb24479975 [0,1,0,0,0,0|3,0,0]=4 1986 B8R0.34 CC(C)(CC(=O)Cl)C#N Amb24340082 [0,1,0,0,0,0|2,0,1]=4 1987 B8R0.34 CC(C)(CC(N)=O)C#N Amb18642438 [0,1,0,0,0,0|2,0,1]=4 1988 B8R0.34 CC(C)(CC(N)=O)C=C Amb25680144 [0,1,0,0,0,0|2,0,1]=4 1989 B8R0.34 CC(C)(CC(O)=O)C#C Amb24554543 [0,1,0,0,0,0|1,0,1]=3 1990 B8R0.34 CC(C)(CC(O)=O)CO Amb24116870 [0,1,0,0,0,0|0,0,0]=1 1991 B8R0.34 CC(C)(CC(O)=O)NN Amb24670787 [0,1,0,0,0,0|2,0,0]=3 1992 B8R0.34 CC(C)(CCl)NC(N)=O Amb24376096 [0,1,0,0,0,0|3,0,0]=4 1993 B8R0.34 CC(C)(CF)NC(N)=O Amb25099252 [0,1,0,0,0,0|3,0,0]=4 1994 B8R0.34 CC(C)(CN)CC(=C)Cl Amb25705163 [0,1,0,0,0,0|3,0,0]=4 1995 B8R0.34 CC(C)(CN)NC(N)=O Amb18203177 [0,1,0,0,0,0|3,0,0]=4 1996 B8R0.34 CC(C)(CO)CC(N)=O Amb25063938 [0,1,0,0,0,0|1,0,0]=2 1997 B8R0.34 CC(C)(CO)CC([O-])=O Amb24178915 [0,1,0,0,0,0|0,0,1]=2 1998 B8R0.34 CC(C)(CO)NC(N)=N Amb25125120 [0,1,0,0,0,0|3,0,0]=4 1999 B8R0.34 CC(C)(CO)N[N+]([O-])=O Amb22055812 [0,1,0,0,0,0|2,0,1]=4 2000 B8R0.34 CC(C)=CC(C)(C)CO Amb25147220 [0,1,0,0,0,0|2,0,1]=4 2001 B8R0.34 CC(C)CC(C)(N)CO Amb18971963 [0,1,0,0,0,0|2,0,1]=4 2002 B8R0.34 CC(C)CC(C)(O)CO Amb25064388 [0,1,0,0,0,0|2,0,1]=4 2003 B8R0.34 CC(F)(CN)CC(O)=O Amb24481603 [0,1,0,0,0,0|1,0,0]=2 2004 B8R0.34 CC(N)(CC(O)=O)C=C Amb22641965 [0,1,0,0,0,0|1,0,1]=3 2005 B8R0.34 CC(N)(CCl)CC(O)=O Amb22641961 [0,1,0,0,0,0|1,0,0]=2 2006 B8R0.34 CC(N)CC(C)(C)CO Amb24358994 [0,1,0,0,0,0|2,0,1]=4 2007 B8R0.34 CC(O)(CC(O)=O)C=C Amb18642755 [0,1,0,0,0,0|1,0,1]=3 2008 B8R0.34 CC(O)(CN)CC(O)=O Amb25188898 [0,1,0,0,0,0|1,0,0]=2 2009 B8R0.34 CC(O)CC(C)(C)CN Amb19148071 [0,1,0,0,0,0|2,0,1]=4 2010 B8R0.34 CC(O)CC(C)(C)CN Amb22059606 [0,1,0,0,0,0|2,0,1]=4 2011 B8R0.34 CC(O)CC(C)(C)CO Amb25145315 [0,1,0,0,0,0|1,0,1]=3 2012 B8R0.34 CC(O)CC(C)(O)CO Amb25306407 [0,1,0,0,0,0|1,0,1]=3 2013 B8R0.34 CCC(C)(C)CC(=O)Cl Amb25032181 [0,1,0,0,0,0|2,0,0]=3 2014 B8R0.34 CCC(C)(C)CC(C)=C Amb22228307 [0,1,0,0,0,0|3,0,0]=4 2015 B8R0.34 CCC(C)(C)CC(C)=O Amb22388941 [0,1,0,0,0,0|2,0,0]=3 2016 B8R0.34 CCC(C)(C)C[N+]([O-])=O Amb24469650 [0,1,0,0,0,0|2,0,1]=4 2017 B8R0.34 CCC(C)(Cl)CC(O)=O Amb18644450 [0,1,0,0,0,0|1,0,0]=2 2018 B8R0.34 CCC(C)(N)CC(O)=O Amb25853863 [0,1,0,0,0,0|1,0,0]=2 2019 B8R0.34 CCC(C)(O)CC(N)=S Amb25189007 [0,1,0,0,0,0|2,1,0]=4 2020 B8R0.34 CCC(C)(O)CC(O)=O Amb18298122 [0,1,0,0,0,0|1,0,0]=2 2021 B8R0.34 CCC(C)(O)C[N+]([O-])=O Amb25270235 [0,1,0,0,0,0|2,0,1]=4 2022 B8R0.34 CCC(CC(=O)O)(C)C Amb10573669 [0,1,0,0,0,0|1,0,0]=2 2023 B8R0.34 CCC(NC(=O)N)(C)C Amb1139044 [0,1,0,0,0,0|3,0,0]=4 2024 B8R0.34 CCP(O)(=O)CC(O)=O Amb24480209 [0,1,0,0,0,0|3,0,0]=4 2025 B8R0.34 CC[C@@](C)(N)CC(O)=O Amb25738026 [0,1,0,0,0,0|1,0,0]=2 2026 B8R0.34 CC[C@@](C)(O)CC(O)=O Amb25697894 [0,1,0,0,0,0|1,0,0]=2 2027 B8R0.34 CC[C@](C)(O)CC(O)=O Amb24746144 [0,1,0,0,0,0|1,0,0]=2 2028 B8R0.34 CC[N+](C)(C)CC(O)=O Amb24390383 [0,1,0,0,0,0|2,0,0]=3 2029 B8R0.34 CNC(C)(C)CC(O)=O Amb25710043 [0,1,0,0,0,0|2,0,0]=3 2030 B8R0.34 COC(C)(C)CC(N)=O Amb24473153 [0,1,0,0,0,0|3,0,0]=4 2031 B8R0.34 CS(=O)NC(C)(C)CO Amb25176318 [0,1,0,0,0,0|3,0,0]=4 2032 B8R0.34 CSC(C)(C)CC(O)=O Amb25304571 [0,1,0,0,0,0|2,0,0]=3 2033 B8R0.34 CSC(CC(=O)C)(C)C Amb16236855 [0,1,0,0,0,0|3,0,0]=4 2034 B8R0.34 C[C@@H](O)C[C@](C)(O)CO Amb25356228 [0,1,0,0,0,0|1,0,1]=3 2035 B8R0.34 C[C@@](N)(CC(O)=O)CO Amb25715205 [0,1,0,0,0,0|0,0,0]=1 2036 B8R0.34 C[C@@](O)(CN)CC(O)=O Amb24745092 [0,1,0,0,0,0|1,0,0]=2 2037 B8R0.34 C[Si](C)(CCl)CC(O)=O Amb25107199 [0,1,0,0,0,0|1,1,0]=3 2038 B8R0.34 NCC(F)(F)CC(O)=O Amb19148532 [0,1,0,0,0,0|2,0,0]=3 2039 B8R0.34 O=NC(CC(=O)C)(C)C Amb17593358 [0,1,0,0,0,0|2,0,1]=4 2040 B8R0.34 OC(=O)CS(=O)(=O)CF Amb24707946 [0,1,0,0,0,0|3,0,0]=4 2041 B8R0.34 OCC(NC(=S)N)(C)C Amb10067098 [0,1,0,0,0,0|2,1,0]=4 2042 B8R0.34 OCC(OC(=O)C)(C)C Amb17607378 [0,1,0,0,0,0|2,0,0]=3 2043 B8R0.34 OOP(O)(=O)CC(O)=O Amb22230756 [0,1,0,0,0,0|3,0,0]=4 2044 B8R1.1 BrCC1=CC(=O)OC1 Amb17935686 [0,0,0,1,0,0|1,0,2]=4 2045 B8R1.1 C#CC1COC(=O)O1 Amb25056381 [0,0,0,1,0,0|2,0,1]=4 2046 B8R1.1 C#C[C@@H]1COC(=O)N1 Amb23401461 [0,0,0,1,0,0|2,0,1]=4 2047 B8R1.1 C#C[C@H]1CC(=O)CC1 Amb24721679 [0,0,0,1,0,0|2,0,1]=4 2048 B8R1.1 C=C1COC(CO)C1 Amb25662542 [0,0,0,1,0,0|3,0,0]=4 2049 B8R1.1 C=CC1CNC(=O)C1 Amb25117425 [0,0,0,1,0,0|2,0,1]=4 2050 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [0,0,0,1,0,0|1,0,1]=3 2051 B8R1.1 C=CC1COC(=O)O1 Amb17942789 [0,0,0,1,0,0|2,0,1]=4 2052 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [0,0,0,1,0,0|1,0,1]=3 2053 B8R1.1 C=C[C@H]1CC(=O)CC1 Amb24524536 [0,0,0,1,0,0|2,0,1]=4 2054 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [0,0,0,1,0,0|1,0,1]=3 2055 B8R1.1 CC1=CCC(CO)O1 Amb24386881 [0,0,0,1,0,0|3,0,0]=4 2056 B8R1.1 CC1=NC(CBr)CO1 Amb25138721 [0,0,0,1,0,0|3,0,0]=4 2057 B8R1.1 CC1=NC(CO)CO1 Amb24527624 [0,0,0,1,0,0|2,0,0]=3 2058 B8R1.1 CC1=NC(CO)CS1 Amb25138240 [0,0,0,1,0,0|2,1,0]=4 2059 B8R1.1 CC1CC(CBr)CO1 Amb25077494 [0,0,0,1,0,0|2,0,1]=4 2060 B8R1.1 CC1CC(CC1)CO Amb22886865 [0,0,0,1,0,0|2,0,1]=4 2061 B8R1.1 CC1CC(CCl)CO1 Amb24630118 [0,0,0,1,0,0|2,0,1]=4 2062 B8R1.1 CC=1CC(CO)CN1 Amb25204416 [0,0,0,1,0,0|2,0,0]=3 2063 B8R1.1 CC=1CCC(CO)N1 Amb24734855 [0,0,0,1,0,0|3,0,0]=4 2064 B8R1.1 CC=1C[C@H](CO)CC1 Amb24481425 [0,0,0,1,0,0|2,0,0]=3 2065 B8R1.1 CCC1CC(=O)C=C1 Amb25713811 [0,0,0,1,0,0|2,0,1]=4 2066 B8R1.1 CCC1CC(=O)CC1 Amb19267107 [0,0,0,1,0,0|2,0,0]=3 2067 B8R1.1 CCC1CC(=O)CS1 Amb25273070 [0,0,0,1,0,0|3,0,0]=4 2068 B8R1.1 CCC1CCC(=O)N1 Amb19516715 [0,0,0,1,0,0|3,0,0]=4 2069 B8R1.1 CCC1CCC(O)C1 Amb24471617 [0,0,0,1,0,0|2,0,1]=4 2070 B8R1.1 CCC1CNC(=O)C1 Amb10608005 [0,0,0,1,0,0|2,0,0]=3 2071 B8R1.1 CCC1CNC(=O)N1 Amb17506855 [0,0,0,1,0,0|3,0,0]=4 2072 B8R1.1 CCC1COC(=O)N1 Amb19516988 [0,0,0,1,0,0|2,0,0]=3 2073 B8R1.1 CCC1COC(N)=N1 Amb24436270 [0,0,0,1,0,0|3,0,0]=4 2074 B8R1.1 CCC=1CC(=O)OC1 Amb24759211 [0,0,0,1,0,0|1,0,2]=4 2075 B8R1.1 CCC=1COC(=O)C1 Amb24686984 [0,0,0,1,0,0|1,0,2]=4 2076 B8R1.1 CC[C@@H]1CC(=O)CC1 Amb25142670 [0,0,0,1,0,0|2,0,0]=3 2077 B8R1.1 CC[C@@H]1CC[C@@H](O)C1 Amb24587422 [0,0,0,1,0,0|2,0,1]=4 2078 B8R1.1 CC[C@@H]1CNC(=O)C1 Amb25367322 [0,0,0,1,0,0|2,0,0]=3 2079 B8R1.1 CC[C@@H]1CNC(=O)O1 Amb24507830 [0,0,0,1,0,0|3,0,0]=4 2080 B8R1.1 CC[C@H]1CC(=O)CC1 Amb24614252 [0,0,0,1,0,0|2,0,0]=3 2081 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [0,0,0,1,0,0|3,0,0]=4 2082 B8R1.1 CC[C@H]1CNC(=O)C1 Amb24632784 [0,0,0,1,0,0|2,0,0]=3 2083 B8R1.1 CN1C[C@@H](CO)CC1 Amb22744754 [0,0,0,1,0,0|3,0,0]=4 2084 B8R1.1 CN1C[C@H](CO)CC1 Amb25831158 [0,0,0,1,0,0|3,0,0]=4 2085 B8R1.1 CNC1CNC(=O)C1 Amb25851765 [0,0,0,1,0,0|3,0,0]=4 2086 B8R1.1 COC1CC(=O)CC1 Amb24483163 [0,0,0,1,0,0|3,0,0]=4 2087 B8R1.1 COC1CNC(=O)C1 Amb24683870 [0,0,0,1,0,0|3,0,0]=4 2088 B8R1.1 COC1COC(=O)N1 Amb24372259 [0,0,0,1,0,0|3,0,0]=4 2089 B8R1.1 C[C@@H]1C[C@H](CO)CO1 Amb25176664 [0,0,0,1,0,0|1,0,1]=3 2090 B8R1.1 C[C@@H]1O[C@@H](CO1)CO Amb24543960 [0,0,0,1,0,0|2,0,1]=4 2091 B8R1.1 C[C@H]1CC(CC1)CO Amb25676567 [0,0,0,1,0,0|2,0,1]=4 2092 B8R1.1 C[C@H]1O[C@@H](CO1)CO Amb25331520 [0,0,0,1,0,0|2,0,1]=4 2093 B8R1.1 C[C@H]1O[C@H](CO1)CO Amb25261912 [0,0,0,1,0,0|2,0,1]=4 2094 B8R1.1 ClCC1CCC(=O)O1 Amb10608418 [0,0,0,1,0,0|3,0,0]=4 2095 B8R1.1 ClCC1CNC(=O)O1 Amb1152954 [0,0,0,1,0,0|3,0,0]=4 2096 B8R1.1 N#CC1CC(=O)CC1 Amb22886979 [0,0,0,1,0,0|2,0,1]=4 2097 B8R1.1 N=C1CCC(CO)N1 Amb24630540 [0,0,0,1,0,0|3,0,0]=4 2098 B8R1.1 N=C1CC[C@@H](CO)N1 Amb24580264 [0,0,0,1,0,0|3,0,0]=4 2099 B8R1.1 NC1=NC(CO)CO1 Amb25233954 [0,0,0,1,0,0|2,0,0]=3 2100 B8R1.1 NC1=NC(CO)CS1 Amb24382346 [0,0,0,1,0,0|2,1,0]=4 2101 B8R1.1 NC1CC(CC1)CO Amb18641837 [0,0,0,1,0,0|2,0,1]=4 2102 B8R1.1 NCC1CC(=O)CC1 Amb24644946 [0,0,0,1,0,0|2,0,0]=3 2103 B8R1.1 NCC1CC=C(Cl)C1 Amb23594525 [0,0,0,1,0,0|3,0,0]=4 2104 B8R1.1 NCC1CCC(=O)N1 Amb19330383 [0,0,0,1,0,0|3,0,0]=4 2105 B8R1.1 NCC1CCC(=O)N1 Amb2154785 [0,0,0,1,0,0|3,0,0]=4 2106 B8R1.1 NCC1CCC(=O)O1 Amb24482045 [0,0,0,1,0,0|3,0,0]=4 2107 B8R1.1 NCC1CCC(O)C1 Amb18641846 [0,0,0,1,0,0|2,0,1]=4 2108 B8R1.1 NCC1CCC(O)C1 Amb22886211 [0,0,0,1,0,0|2,0,1]=4 2109 B8R1.1 NCC1CNC(=O)C1 Amb22899752 [0,0,0,1,0,0|2,0,0]=3 2110 B8R1.1 NCC1CNC(=O)O1 Amb17506099 [0,0,0,1,0,0|3,0,0]=4 2111 B8R1.1 NCC1CNC(=O)O1 Amb23439310 [0,0,0,1,0,0|3,0,0]=4 2112 B8R1.1 NCC1COC(=O)C1 Amb22642236 [0,0,0,1,0,0|1,0,0]=2 2113 B8R1.1 NCC1CSC(=O)O1 Amb25843341 [0,0,0,1,0,0|2,1,0]=4 2114 B8R1.1 NCC=1CC(=O)ON1 Amb18833041 [0,0,0,1,0,0|2,0,1]=4 2115 B8R1.1 NCC=1COC(=O)C1 Amb24634773 [0,0,0,1,0,0|1,0,2]=4 2116 B8R1.1 NC[C@@H]1CCC(=O)N1 Amb22746678 [0,0,0,1,0,0|3,0,0]=4 2117 B8R1.1 NC[C@@H]1CCC(=O)O1 Amb24656037 [0,0,0,1,0,0|3,0,0]=4 2118 B8R1.1 NC[C@@H]1CC[C@@H](C1)O Amb10066982 [0,0,0,1,0,0|2,0,1]=4 2119 B8R1.1 NC[C@@H]1CC[C@H](C1)O Amb10066974 [0,0,0,1,0,0|2,0,1]=4 2120 B8R1.1 NC[C@@H]1CNC(=O)C1 Amb23439750 [0,0,0,1,0,0|2,0,0]=3 2121 B8R1.1 NC[C@@H]1CNC(=O)C1 Amb23439751 [0,0,0,1,0,0|2,0,0]=3 2122 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb24183560 [0,0,0,1,0,0|3,0,0]=4 2123 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb25127772 [0,0,0,1,0,0|3,0,0]=4 2124 B8R1.1 NC[C@H]1CC(O)=NO1 Amb25334789 [0,0,0,1,0,0|3,0,0]=4 2125 B8R1.1 NC[C@H]1CCC(=O)O1 Amb24376645 [0,0,0,1,0,0|3,0,0]=4 2126 B8R1.1 NC[C@H]1CC[C@@H](C1)O Amb10066981 [0,0,0,1,0,0|2,0,1]=4 2127 B8R1.1 NC[C@H]1CC[C@H](C1)O Amb10066975 [0,0,0,1,0,0|2,0,1]=4 2128 B8R1.1 NN1CC(CO)CC1 Amb25724495 [0,0,0,1,0,0|3,0,0]=4 2129 B8R1.1 N[C@H]1C[C@@H](CC1)CO Amb24603976 [0,0,0,1,0,0|2,0,1]=4 2130 B8R1.1 N[C@H]1C[C@H](CC1)CO Amb24526904 [0,0,0,1,0,0|2,0,1]=4 2131 B8R1.1 O=C1C=C(CCl)CO1 Amb24481317 [0,0,0,1,0,0|1,0,2]=4 2132 B8R1.1 O=C1C=C(CF)CO1 Amb23556961 [0,0,0,1,0,0|1,0,2]=4 2133 B8R1.1 O=C1CC(CBr)CC1 Amb24483273 [0,0,0,1,0,0|2,0,0]=3 2134 B8R1.1 O=C1CC(CBr)CN1 Amb23597459 [0,0,0,1,0,0|2,0,0]=3 2135 B8R1.1 O=C1CC(CCl)CO1 Amb25367200 [0,0,0,1,0,0|1,0,0]=2 2136 B8R1.1 O=C1CC(CF)CO1 Amb23557063 [0,0,0,1,0,0|1,0,0]=2 2137 B8R1.1 O=C1CC(CI)CN1 Amb25031171 [0,0,0,1,0,0|2,0,0]=3 2138 B8R1.1 O=C1CCC(CBr)N1 Amb22492782 [0,0,0,1,0,0|3,0,0]=4 2139 B8R1.1 O=C1CCC(CBr)O1 Amb22587611 [0,0,0,1,0,0|3,0,0]=4 2140 B8R1.1 O=C1CCC(CCl)N1 Amb25125270 [0,0,0,1,0,0|3,0,0]=4 2141 B8R1.1 O=C1CCC(CI)O1 Amb25718848 [0,0,0,1,0,0|3,0,0]=4 2142 B8R1.1 O=C1CC[C@@H](CBr)O1 Amb24483198 [0,0,0,1,0,0|3,0,0]=4 2143 B8R1.1 O=C1CC[C@@H](CF)N1 Amb19148412 [0,0,0,1,0,0|3,0,0]=4 2144 B8R1.1 O=C1C[C@@H](CF)CO1 Amb22746494 [0,0,0,1,0,0|1,0,0]=2 2145 B8R1.1 O=C1C[C@H](CBr)CO1 Amb24429041 [0,0,0,1,0,0|1,0,0]=2 2146 B8R1.1 O=C1C[C@H](CF)CO1 Amb24626048 [0,0,0,1,0,0|1,0,0]=2 2147 B8R1.1 O=C1NCC(CBr)O1 Amb24530204 [0,0,0,1,0,0|3,0,0]=4 2148 B8R1.1 O=C1NCC(CS)O1 Amb25725846 [0,0,0,1,0,0|2,1,0]=4 2149 B8R1.1 O=C1NC[C@@H](CCl)O1 Amb22232513 [0,0,0,1,0,0|3,0,0]=4 2150 B8R1.1 O=C1NC[C@H](CCl)O1 Amb25077275 [0,0,0,1,0,0|3,0,0]=4 2151 B8R1.1 O=C1N[C@@H](CI)CO1 Amb22746832 [0,0,0,1,0,0|2,0,0]=3 2152 B8R1.1 O=C1OC[C@H](CCl)O1 Amb25234049 [0,0,0,1,0,0|2,0,0]=3 2153 B8R1.1 O=C1SCC(CBr)S1 Amb24376514 [0,0,0,1,0,0|2,1,0]=4 2154 B8R1.1 O=CC1CC(=O)CC1 Amb18124240 [0,0,0,1,0,0|1,0,2]=4 2155 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [0,0,0,1,0,0|1,0,2]=4 2156 B8R1.1 O=C[C@@H]1CC(=O)CC1 Amb24481518 [0,0,0,1,0,0|1,0,2]=4 2157 B8R1.1 O=C[C@@H]1CNC(=O)C1 Amb24377645 [0,0,0,1,0,0|1,0,2]=4 2158 B8R1.1 O=C[C@H]1CC(=O)CC1 Amb25759704 [0,0,0,1,0,0|1,0,2]=4 2159 B8R1.1 O=S1OCC(CCl)O1 Amb24624110 [0,0,0,1,0,0|3,0,0]=4 2160 B8R1.1 O=S1OCC(CF)O1 Amb21951909 [0,0,0,1,0,0|3,0,0]=4 2161 B8R1.1 O=S1OC[C@@H](CBr)O1 Amb25834609 [0,0,0,1,0,0|3,0,0]=4 2162 B8R1.1 O=S1OC[C@H](CBr)O1 Amb24654743 [0,0,0,1,0,0|3,0,0]=4 2163 B8R1.1 O=S1OC[C@H](CCl)O1 Amb24353584 [0,0,0,1,0,0|3,0,0]=4 2164 B8R1.1 OC1CC(CC1)CS Amb25853014 [0,0,0,1,0,0|1,1,1]=4 2165 B8R1.1 OC1CC(CO)C=C1 Amb25715824 [0,0,0,1,0,0|1,0,2]=4 2166 B8R1.1 OC1CCC(C1)CO Amb22168730 [0,0,0,1,0,0|1,0,1]=3 2167 B8R1.1 OC1CCC(CO)O1 Amb22492783 [0,0,0,1,0,0|2,0,1]=4 2168 B8R1.1 OC1CCC(CO)S1 Amb25346247 [0,0,0,1,0,0|2,0,1]=4 2169 B8R1.1 OC1CNC(C1)CO Amb24268900 [0,0,0,1,0,0|2,0,1]=4 2170 B8R1.1 OC1COC(C1)CO Amb22229902 [0,0,0,1,0,0|2,0,1]=4 2171 B8R1.1 OC1CSC(C1)CO Amb25169321 [0,0,0,1,0,0|2,0,1]=4 2172 B8R1.1 OC=1OC(CCl)CP1 Amb24481387 [0,0,0,1,0,0|3,0,0]=4 2173 B8R1.1 OCC1=COC(=O)O1 Amb25214922 [0,0,0,1,0,0|1,0,2]=4 2174 B8R1.1 OCC1=NNC(=O)C1 Amb17593181 [0,0,0,1,0,0|2,0,1]=4 2175 B8R1.1 OCC1C=CC(=O)N1 Amb24544831 [0,0,0,1,0,0|2,0,1]=4 2176 B8R1.1 OCC1CC(=O)CC1 Amb22168734 [0,0,0,1,0,0|1,0,0]=2 2177 B8R1.1 OCC1CC(=O)CO1 Amb24117838 [0,0,0,1,0,0|2,0,0]=3 2178 B8R1.1 OCC1CC(Br)=NO1 Amb23449512 [0,0,0,1,0,0|3,0,0]=4 2179 B8R1.1 OCC1CC=C(Cl)C1 Amb23594524 [0,0,0,1,0,0|2,0,0]=3 2180 B8R1.1 OCC1CCC(=O)N1 Amb1162732 [0,0,0,1,0,0|2,0,0]=3 2181 B8R1.1 OCC1CCC(=O)O1 Amb20240701 [0,0,0,1,0,0|2,0,0]=3 2182 B8R1.1 OCC1CCC(F)C1 Amb23455679 [0,0,0,1,0,0|2,0,1]=4 2183 B8R1.1 OCC1CN=C(S)O1 Amb25092005 [0,0,0,1,0,0|2,1,0]=4 2184 B8R1.1 OCC1CNC(=O)S1 Amb25349662 [0,0,0,1,0,0|2,0,0]=3 2185 B8R1.1 OCC1CNC(O)=N1 Amb24602100 [0,0,0,1,0,0|2,0,0]=3 2186 B8R1.1 OCC1COB(O)O1 Amb24079353 [0,0,0,1,0,0|2,0,1]=4 2187 B8R1.1 OCC1COC(=O)C1 Amb22886806 [0,0,0,1,0,0|0,0,0]=1 2188 B8R1.1 OCC1COC(=O)N1 Amb22410779 [0,0,0,1,0,0|1,0,0]=2 2189 B8R1.1 OCC1COC(=S)O1 Amb24353008 [0,0,0,1,0,0|1,1,0]=3 2190 B8R1.1 OCC1COP(=O)O1 Amb24475979 [0,0,0,1,0,0|2,0,0]=3 2191 B8R1.1 OCC1COS(=O)O1 Amb25802802 [0,0,0,1,0,0|2,0,0]=3 2192 B8R1.1 OCC1CSC(=S)S1 Amb25271961 [0,0,0,1,0,0|1,2,0]=4 2193 B8R1.1 OCC1NCC(C1)O Amb1102176 [0,0,0,1,0,0|2,0,1]=4 2194 B8R1.1 OCC1OCC(=O)O1 Amb24643063 [0,0,0,1,0,0|3,0,0]=4 2195 B8R1.1 OCC=1COC(=O)C1 Amb23557062 [0,0,0,1,0,0|0,0,2]=3 2196 B8R1.1 OC[C@@H]1CC(=O)C=C1 Amb25373368 [0,0,0,1,0,0|1,0,1]=3 2197 B8R1.1 OC[C@@H]1CC(=O)CC1 Amb22748084 [0,0,0,1,0,0|1,0,0]=2 2198 B8R1.1 OC[C@@H]1CC(Br)=NO1 Amb24504219 [0,0,0,1,0,0|3,0,0]=4 2199 B8R1.1 OC[C@@H]1CCC(=O)N1 Amb2371840 [0,0,0,1,0,0|2,0,0]=3 2200 B8R1.1 OC[C@@H]1CCC(=O)S1 Amb24372061 [0,0,0,1,0,0|2,0,0]=3 2201 B8R1.1 OC[C@@H]1CNC(=O)C1 Amb25745471 [0,0,0,1,0,0|1,0,0]=2 2202 B8R1.1 OC[C@@H]1CNC(=O)O1 Amb24183552 [0,0,0,1,0,0|2,0,0]=3 2203 B8R1.1 OC[C@@H]1COC(=O)C1 Amb24414055 [0,0,0,1,0,0|0,0,0]=1 2204 B8R1.1 OC[C@@H]1COS(=O)O1 Amb24748538 [0,0,0,1,0,0|2,0,0]=3 2205 B8R1.1 OC[C@@H]1CSC(=S)S1 Amb24472483 [0,0,0,1,0,0|1,2,0]=4 2206 B8R1.1 OC[C@H]1C=CC(=O)N1 Amb25225281 [0,0,0,1,0,0|2,0,1]=4 2207 B8R1.1 OC[C@H]1CC(=O)C=C1 Amb25093663 [0,0,0,1,0,0|1,0,1]=3 2208 B8R1.1 OC[C@H]1CC(=O)CC1 Amb24532129 [0,0,0,1,0,0|1,0,0]=2 2209 B8R1.1 OC[C@H]1CCC(=O)S1 Amb25823343 [0,0,0,1,0,0|2,0,0]=3 2210 B8R1.1 OC[C@H]1CNC(=O)C1 Amb24515579 [0,0,0,1,0,0|1,0,0]=2 2211 B8R1.1 OC[C@H]1CNC(=O)O1 Amb22737250 [0,0,0,1,0,0|2,0,0]=3 2212 B8R1.1 OC[C@H]1CSC(=O)N1 Amb24697600 [0,0,0,1,0,0|1,1,0]=3 2213 B8R1.1 O[C@@H]1CC[C@H](C1)CO Amb22748539 [0,0,0,1,0,0|1,0,1]=3 2214 B8R1.1 O[C@@H]1CN[C@@H](C1)CO Amb24117087 [0,0,0,1,0,0|2,0,1]=4 2215 B8R1.1 O[C@@H]1CN[C@H](C1)CO Amb22756284 [0,0,0,1,0,0|2,0,1]=4 2216 B8R1.1 O[C@@H]1CO[C@@H](C1)CO Amb22224993 [0,0,0,1,0,0|2,0,1]=4 2217 B8R1.1 O[C@@H]1CO[C@H](C1)CO Amb22224992 [0,0,0,1,0,0|2,0,1]=4 2218 B8R1.1 O[C@H]1CC[C@@H](C1)CO Amb24544575 [0,0,0,1,0,0|1,0,1]=3 2219 B8R1.1 O[C@H]1CC[C@H](C1)CO Amb24619136 [0,0,0,1,0,0|1,0,1]=3 2220 B8R1.1 O[C@H]1CN[C@@H](C1)CO Amb19929426 [0,0,0,1,0,0|2,0,1]=4 2221 B8R1.1 O[C@H]1CN[C@H](C1)CO Amb24763113 [0,0,0,1,0,0|2,0,1]=4 2222 B8R1.1 O[C@H]1CO[C@@H](C1)CO Amb22224988 [0,0,0,1,0,0|2,0,1]=4 2223 B8R1.1 O[C@H]1CO[C@H](C1)CO Amb22224987 [0,0,0,1,0,0|2,0,1]=4 2224 B8R1.1 O[C@H]1C[C@H](CO)C=C1 Amb25317230 [0,0,0,1,0,0|1,0,2]=4 2225 B8R1.4 CC1CC(=C)CCC1 Amb25237522 [0,0,0,1,0,0|3,0,0]=4 2226 B8R1.4 CC1CC(=N)NCC1 Amb19930463 [0,0,0,1,0,0|3,0,0]=4 2227 B8R1.4 CC1CC(=O)C=CO1 Amb25173826 [0,0,0,1,0,0|3,0,0]=4 2228 B8R1.4 CC1CC(=O)C=CS1 Amb25053096 [0,0,0,1,0,0|3,0,0]=4 2229 B8R1.4 CC1CC(=O)CC=C1 Amb25713549 [0,0,0,1,0,0|2,0,1]=4 2230 B8R1.4 CC1CC(=O)CCN1 Amb19515809 [0,0,0,1,0,0|3,0,0]=4 2231 B8R1.4 CC1CC(=O)CCO1 Amb18833037 [0,0,0,1,0,0|3,0,0]=4 2232 B8R1.4 CC1CC(=O)NC=C1 Amb24745438 [0,0,0,1,0,0|2,0,1]=4 2233 B8R1.4 CC1CC(=O)NCC1 Amb20668125 [0,0,0,1,0,0|2,0,0]=3 2234 B8R1.4 CC1CC(Br)OCC1 Amb24433110 [0,0,0,1,0,0|2,0,1]=4 2235 B8R1.4 CC1CC(Cl)OCC1 Amb24693934 [0,0,0,1,0,0|2,0,1]=4 2236 B8R1.4 CC1CC(N)=NCC1 Amb22496716 [0,0,0,1,0,0|3,0,0]=4 2237 B8R1.4 CC1CC(O)CNC1 Amb24507417 [0,0,0,1,0,0|2,0,1]=4 2238 B8R1.4 CC1CC(O)CSC1 Amb23568717 [0,0,0,1,0,0|1,1,1]=4 2239 B8R1.4 CC1CC=CC(=O)O1 Amb22173905 [0,0,0,1,0,0|3,0,0]=4 2240 B8R1.4 CC1CC=NC(=O)N1 Amb24580624 [0,0,0,1,0,0|3,0,0]=4 2241 B8R1.4 CC1CCCC(=O)C1 Amb1151295 [0,0,0,1,0,0|2,0,0]=3 2242 B8R1.4 CC1CCCC(=O)N1 Amb22372271 [0,0,0,1,0,0|3,0,0]=4 2243 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,0,0,1,0,0|3,0,0]=4 2244 B8R1.4 CC1CCNC(=N)C1 Amb17616048 [0,0,0,1,0,0|3,0,0]=4 2245 B8R1.4 CC1CCOC(=O)C1 Amb15693478 [0,0,0,1,0,0|1,0,0]=2 2246 B8R1.4 CC1CCOC(=S)N1 Amb24548582 [0,0,0,1,0,0|2,1,0]=4 2247 B8R1.4 CC1CNCC(=O)N1 Amb22587525 [0,0,0,1,0,0|3,0,0]=4 2248 B8R1.4 CC1COCC(=O)C1 Amb24431094 [0,0,0,1,0,0|1,0,0]=2 2249 B8R1.4 CC1COCC(=O)N1 Amb10608100 [0,0,0,1,0,0|2,0,0]=3 2250 B8R1.4 CC1CSCC(=O)C1 Amb23568711 [0,0,0,1,0,0|1,1,0]=3 2251 B8R1.4 CC1CSCC(=O)N1 Amb25131602 [0,0,0,1,0,0|2,1,0]=4 2252 B8R1.4 CC1NCCC(=O)C1 Amb1087926 [0,0,0,1,0,0|3,0,0]=4 2253 B8R1.4 CC=1CC(=O)OCC1 Amb24751502 [0,0,0,1,0,0|1,0,2]=4 2254 B8R1.4 CC=1COCC(=O)C1 Amb25065804 [0,0,0,1,0,0|1,0,2]=4 2255 B8R1.4 CN1CC(=O)CCC1 Amb22304741 [0,0,0,1,0,0|3,0,0]=4 2256 B8R1.4 CN1CC(=O)CCC1 Amb22490632 [0,0,0,1,0,0|3,0,0]=4 2257 B8R1.4 CN1CC(=O)NCC1 Amb19958159 [0,0,0,1,0,0|3,0,0]=4 2258 B8R1.4 CN1CC(=O)OCC1 Amb21963307 [0,0,0,1,0,0|2,0,0]=3 2259 B8R1.4 CN1CC(=O)OCC1 Amb22491652 [0,0,0,1,0,0|2,0,0]=3 2260 B8R1.4 CN1CCCC(=O)C1 Amb10602467 [0,0,0,1,0,0|3,0,0]=4 2261 B8R1.4 C[C@@H]1CC(=O)C=CO1 Amb22748948 [0,0,0,1,0,0|3,0,0]=4 2262 B8R1.4 C[C@@H]1CC(=O)CCC1 Amb22799724 [0,0,0,1,0,0|2,0,0]=3 2263 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb22748911 [0,0,0,1,0,0|3,0,0]=4 2264 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb23439312 [0,0,0,1,0,0|3,0,0]=4 2265 B8R1.4 C[C@@H]1CC(=O)CCO1 Amb23440042 [0,0,0,1,0,0|3,0,0]=4 2266 B8R1.4 C[C@@H]1CC(=O)NCC1 Amb25739591 [0,0,0,1,0,0|2,0,0]=3 2267 B8R1.4 C[C@@H]1CC=CC(=O)N1 Amb25062539 [0,0,0,1,0,0|3,0,0]=4 2268 B8R1.4 C[C@@H]1CCCC(=O)N1 Amb25772093 [0,0,0,1,0,0|3,0,0]=4 2269 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22504491 [0,0,0,1,0,0|3,0,0]=4 2270 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22748720 [0,0,0,1,0,0|3,0,0]=4 2271 B8R1.4 C[C@@H]1COCC(=O)C1 Amb25746655 [0,0,0,1,0,0|1,0,0]=2 2272 B8R1.4 C[C@@H]1COCC(=O)N1 Amb15693112 [0,0,0,1,0,0|2,0,0]=3 2273 B8R1.4 C[C@@H]1C[C@H](Cl)OCC1 Amb24513485 [0,0,0,1,0,0|2,0,1]=4 2274 B8R1.4 C[C@@H]1C[C@H](O)C=CC1 Amb24614891 [0,0,0,1,0,0|2,0,1]=4 2275 B8R1.4 C[C@@H]1C[C@H](O)CCC1 Amb22800307 [0,0,0,1,0,0|2,0,1]=4 2276 B8R1.4 C[C@H]1CC(=O)C=CN1 Amb25800362 [0,0,0,1,0,0|3,0,0]=4 2277 B8R1.4 C[C@H]1CC(=O)C=CO1 Amb24483279 [0,0,0,1,0,0|3,0,0]=4 2278 B8R1.4 C[C@H]1CC(=O)CCC1 Amb21618704 [0,0,0,1,0,0|2,0,0]=3 2279 B8R1.4 C[C@H]1CC(=O)CCN1 Amb22406027 [0,0,0,1,0,0|3,0,0]=4 2280 B8R1.4 C[C@H]1CC(O)OCC1 Amb25810643 [0,0,0,1,0,0|1,0,2]=4 2281 B8R1.4 C[C@H]1CC=CC(=O)C1 Amb25723295 [0,0,0,1,0,0|2,0,0]=3 2282 B8R1.4 C[C@H]1CC=CC(=O)N1 Amb25326479 [0,0,0,1,0,0|3,0,0]=4 2283 B8R1.4 C[C@H]1CC=CC(=O)O1 Amb24584842 [0,0,0,1,0,0|3,0,0]=4 2284 B8R1.4 C[C@H]1CCCC(=O)N1 Amb25327957 [0,0,0,1,0,0|3,0,0]=4 2285 B8R1.4 C[C@H]1CNCC(=O)N1 Amb22304821 [0,0,0,1,0,0|3,0,0]=4 2286 B8R1.4 C[C@H]1CNCC(=O)N1 Amb23385344 [0,0,0,1,0,0|3,0,0]=4 2287 B8R1.4 C[C@H]1COCC(=O)N1 Amb22232054 [0,0,0,1,0,0|2,0,0]=3 2288 B8R1.4 C[C@H]1C[C@@H](O)CCC1 Amb24713971 [0,0,0,1,0,0|2,0,1]=4 2289 B8R1.4 C[C@H]1C[C@H](O)CCC1 Amb24383351 [0,0,0,1,0,0|2,0,1]=4 2290 B8R1.4 C[C@H]1C[C@H](O)CNC1 Amb25206204 [0,0,0,1,0,0|2,0,1]=4 2291 B8R1.4 NC1CC(=O)CCC1 Amb23440459 [0,0,0,1,0,0|3,0,0]=4 2292 B8R1.4 NC1CC(=O)NCC1 Amb19957631 [0,0,0,1,0,0|3,0,0]=4 2293 B8R1.4 NC1CC(=O)NCC1 Amb21960626 [0,0,0,1,0,0|3,0,0]=4 2294 B8R1.4 NC1CC(=O)OCC1 Amb18641823 [0,0,0,1,0,0|2,0,0]=3 2295 B8R1.4 NC1CC(O)COC1 Amb24526934 [0,0,0,1,0,0|2,0,1]=4 2296 B8R1.4 NC1CCNC(=O)C1 Amb10067177 [0,0,0,1,0,0|3,0,0]=4 2297 B8R1.4 N[C@@H]1CC(=O)NCC1 Amb25168718 [0,0,0,1,0,0|3,0,0]=4 2298 B8R1.4 N[C@H]1CC(=O)OCC1 Amb24550653 [0,0,0,1,0,0|2,0,0]=3 2299 B8R1.4 O=C1CC(Cl)CNN1 Amb22728306 [0,0,0,1,0,0|3,0,0]=4 2300 B8R1.4 O=C1CC(F)CCC1 Amb24578309 [0,0,0,1,0,0|3,0,0]=4 2301 B8R1.4 O=C1CC(I)CCC1 Amb24436778 [0,0,0,1,0,0|3,0,0]=4 2302 B8R1.4 O=C1CC(I)CCN1 Amb24387789 [0,0,0,1,0,0|3,0,0]=4 2303 B8R1.4 O=C1CC(I)CNN1 Amb25250615 [0,0,0,1,0,0|3,0,0]=4 2304 B8R1.4 O=C1CC(S)CCC1 Amb25205406 [0,0,0,1,0,0|3,0,0]=4 2305 B8R1.4 O=C1COCC(=O)C1 Amb22292040 [0,0,0,1,0,0|2,0,1]=4 2306 B8R1.4 O=C1COCC(=O)C1 Amb22406411 [0,0,0,1,0,0|2,0,1]=4 2307 B8R1.4 OC1CC(=O)CCC1 Amb22754759 [0,0,0,1,0,0|3,0,0]=4 2308 B8R1.4 OC1CC(=O)OCC1 Amb24475154 [0,0,0,1,0,0|2,0,0]=3 2309 B8R1.4 OC1CCNC(=O)C1 Amb10602744 [0,0,0,1,0,0|3,0,0]=4 2310 B8R1.4 O[C@@H]1CC(=O)NCC1 Amb22744924 [0,0,0,1,0,0|3,0,0]=4 2311 B8R1.4 O[C@@H]1CCNC(=O)C1 Amb17845212 [0,0,0,1,0,0|3,0,0]=4 2312 B8R1.4 O[C@H]1CC(=O)CCC1 Amb25320136 [0,0,0,1,0,0|3,0,0]=4 2313 B8R1.4 O[C@H]1CC(=O)OCC1 Amb25320391 [0,0,0,1,0,0|2,0,0]=3 2314 B8R1.4 [O-]C1COCC(=O)C1 Amb22739834 [0,0,0,1,0,0|2,0,0]=3 2315 B8R1.18 CC1=CC(=O)CC1O Amb24633748 [0,0,0,1,0,0|1,0,2]=4 2316 B8R1.18 CC1=CC(=O)C[C@@H]1O Amb25093715 [0,0,0,1,0,0|1,0,2]=4 2317 B8R1.18 CC1=CC(=O)C[C@H]1O Amb24612700 [0,0,0,1,0,0|1,0,2]=4 2318 B8R1.18 CC1=CC(=O)OC1Br Amb25144076 [0,0,0,1,0,0|1,0,2]=4 2319 B8R1.18 CC1=CC(=O)OC1Cl Amb24601836 [0,0,0,1,0,0|1,0,2]=4 2320 B8R1.18 CC1=CC(=O)O[C@@H]1O Amb25185238 [0,0,0,1,0,0|0,0,2]=3 2321 B8R1.18 CC1CC(=O)CN1C Amb20669273 [0,0,0,1,0,0|3,0,0]=4 2322 B8R1.18 CC1CC(=O)NC1=N Amb25039964 [0,0,0,1,0,0|2,0,1]=4 2323 B8R1.18 CC1CC(C)C(O)C1 Amb17674171 [0,0,0,1,0,0|2,0,1]=4 2324 B8R1.18 CC1CC(C)OC1O Amb25226270 [0,0,0,1,0,0|1,0,1]=3 2325 B8R1.18 CC1CC(Cl)C(O)O1 Amb25124830 [0,0,0,1,0,0|2,0,1]=4 2326 B8R1.18 CC1CC(O)CC1N Amb25169593 [0,0,0,1,0,0|2,0,1]=4 2327 B8R1.18 CC1CC(O)CC1O Amb25055810 [0,0,0,1,0,0|1,0,1]=3 2328 B8R1.18 CC1CN(C)OC1O Amb25129773 [0,0,0,1,0,0|2,0,0]=3 2329 B8R1.18 CC1CN(N)CC1O Amb25025256 [0,0,0,1,0,0|3,0,0]=4 2330 B8R1.18 CC1NC(=O)CC1C Amb20623595 [0,0,0,1,0,0|2,0,0]=3 2331 B8R1.18 CC1NC(=O)CC1S Amb24441528 [0,0,0,1,0,0|2,1,0]=4 2332 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [0,0,0,1,0,0|1,0,2]=4 2333 B8R1.18 CC1NC(=S)CC1C Amb24532333 [0,0,0,1,0,0|2,1,0]=4 2334 B8R1.18 CC1OC(=O)CC1Cl Amb24483262 [0,0,0,1,0,0|2,0,0]=3 2335 B8R1.18 CC1OC(=O)NC1C Amb25747248 [0,0,0,1,0,0|2,0,0]=3 2336 B8R1.18 CC1OC(=O)NC1N Amb24568318 [0,0,0,1,0,0|3,0,0]=4 2337 B8R1.18 CC1OC(N)=NC1C Amb24452888 [0,0,0,1,0,0|3,0,0]=4 2338 B8R1.18 CC1OC(O)CC1O Amb25696669 [0,0,0,1,0,0|2,0,1]=4 2339 B8R1.18 CC1SC(=S)NC1O Amb25137214 [0,0,0,1,0,0|2,1,0]=4 2340 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [0,0,0,1,0,0|1,0,2]=4 2341 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C Amb22230244 [0,0,0,1,0,0|2,0,0]=3 2342 B8R1.18 C[C@@H]1CC(=O)C[C@H]1C Amb24470272 [0,0,0,1,0,0|2,0,0]=3 2343 B8R1.18 C[C@@H]1CC(=O)NC1=O Amb25709913 [0,0,0,1,0,0|1,0,2]=4 2344 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,0,0,1,0,0|0,0,2]=3 2345 B8R1.18 C[C@@H]1C[C@@H](O)C[C@H]1O Amb25261754 [0,0,0,1,0,0|1,0,1]=3 2346 B8R1.18 C[C@@H]1C[C@H](Cl)[C@@H](O)O1 Amb24739817 [0,0,0,1,0,0|2,0,1]=4 2347 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O Amb24760967 [0,0,0,1,0,0|2,0,0]=3 2348 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1S Amb24586770 [0,0,0,1,0,0|2,1,0]=4 2349 B8R1.18 C[C@@H]1NC(=O)C[C@H]1C Amb24550340 [0,0,0,1,0,0|2,0,0]=3 2350 B8R1.18 C[C@@H]1NC(=O)C[C@H]1O Amb25203404 [0,0,0,1,0,0|2,0,0]=3 2351 B8R1.18 C[C@@H]1NC(=O)C[C@H]1S Amb24685136 [0,0,0,1,0,0|2,1,0]=4 2352 B8R1.18 C[C@@H]1NC(=O)N[C@@H]1C Amb25791194 [0,0,0,1,0,0|3,0,0]=4 2353 B8R1.18 C[C@@H]1OC(=N)N[C@@H]1C Amb24523145 [0,0,0,1,0,0|3,0,0]=4 2354 B8R1.18 C[C@@H]1OC(=O)C=C1O Amb25087875 [0,0,0,1,0,0|2,0,1]=4 2355 B8R1.18 C[C@@H]1OC(=O)CC1O Amb25332464 [0,0,0,1,0,0|2,0,0]=3 2356 B8R1.18 C[C@@H]1OC(=O)C[C@H]1C Amb24583426 [0,0,0,1,0,0|1,0,0]=2 2357 B8R1.18 C[C@@H]1OC(=O)C[C@H]1O Amb25328533 [0,0,0,1,0,0|2,0,0]=3 2358 B8R1.18 C[C@@H]1OC(=O)N[C@@H]1C Amb24601098 [0,0,0,1,0,0|2,0,0]=3 2359 B8R1.18 C[C@@H]1OC(=O)N[C@H]1C Amb24516825 [0,0,0,1,0,0|2,0,0]=3 2360 B8R1.18 C[C@@H]1OC(=S)N[C@H]1C Amb24746694 [0,0,0,1,0,0|2,1,0]=4 2361 B8R1.18 C[C@@H]1OC(O)C[C@H]1O Amb25177050 [0,0,0,1,0,0|2,0,1]=4 2362 B8R1.18 C[C@@H]1O[C@@H](O)C[C@H]1C Amb24597062 [0,0,0,1,0,0|1,0,2]=4 2363 B8R1.18 C[C@@H]1SC(=O)N[C@@H]1C Amb24606920 [0,0,0,1,0,0|2,1,0]=4 2364 B8R1.18 C[C@H]1OC(=O)C[C@@H]1C Amb25245321 [0,0,0,1,0,0|1,0,0]=2 2365 B8R1.18 C[C@H]1OC(=O)C[C@@H]1O Amb24577403 [0,0,0,1,0,0|2,0,0]=3 2366 B8R1.18 C[C@H]1OC(=O)C[C@H]1N Amb24619491 [0,0,0,1,0,0|2,0,0]=3 2367 B8R1.18 C[C@H]1OC(O)C[C@@H]1C Amb24616560 [0,0,0,1,0,0|1,0,2]=4 2368 B8R1.18 NC1CC(=O)OC1=O Amb19929452 [0,0,0,1,0,0|1,0,2]=4 2369 B8R1.18 NC1CC(=O)OC1O Amb24745298 [0,0,0,1,0,0|1,0,0]=2 2370 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,0,0,1,0,0|1,0,2]=4 2371 B8R1.18 N[C@H]1C[C@@H](O)C[C@@H]1O Amb25256550 [0,0,0,1,0,0|2,0,1]=4 2372 B8R1.18 O=C1C=C(C(C1)C)C Amb16191977 [0,0,0,1,0,0|2,0,1]=4 2373 B8R1.18 O=C1CC(C(=O)N1)C Amb10609734 [0,0,0,1,0,0|1,0,2]=4 2374 B8R1.18 O=C1C[C@@H](Cl)[C@H](Cl)C1 Amb25139007 [0,0,0,1,0,0|3,0,0]=4 2375 B8R1.18 O=C1C[C@H](Cl)[C@@H](Cl)C1 Amb24515104 [0,0,0,1,0,0|3,0,0]=4 2376 B8R1.18 O=C1OC(=O)CC1Cl Amb24677749 [0,0,0,1,0,0|1,0,2]=4 2377 B8R1.18 O=C1OC(=O)C[C@@H]1Br Amb24558394 [0,0,0,1,0,0|1,0,2]=4 2378 B8R1.18 O=C1OC(=O)C[C@@H]1Cl Amb25837364 [0,0,0,1,0,0|1,0,2]=4 2379 B8R1.18 O=C1OC(Cl)C(Cl)O1 Amb20670724 [0,0,0,1,0,0|3,0,0]=4 2380 B8R1.18 O=C1O[C@@H](Cl)[C@H](Cl)O1 Amb25061412 [0,0,0,1,0,0|3,0,0]=4 2381 B8R1.18 OC1CC(=O)CC1=O Amb24330382 [0,0,0,1,0,0|2,0,1]=4 2382 B8R1.18 OC1CC(=O)CC1O Amb25834386 [0,0,0,1,0,0|2,0,0]=3 2383 B8R1.18 OC1CP(=O)CC1O Amb24420287 [0,0,0,1,0,0|3,0,0]=4 2384 B8R1.18 OC1C[C@@H](Br)[C@H](O)C1 Amb25240613 [0,0,0,1,0,0|2,0,1]=4 2385 B8R1.18 OC1C[C@@H](O)[C@H](O)C1 Amb24622545 [0,0,0,1,0,0|2,0,1]=4 2386 B8R1.18 OC1OC(=O)C=C1Br Amb22490504 [0,0,0,1,0,0|1,0,2]=4 2387 B8R1.18 O[C@@H]1CC(=O)OC1=O Amb25142904 [0,0,0,1,0,0|1,0,2]=4 2388 B8R1.18 O[C@H]1C[C@H](O)[C@H](O)C1 Amb24544060 [0,0,0,1,0,0|2,0,1]=4 2389 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,0,0,1,0,0|2,0,1]=4 2390 B8R1.20 C=C1C[C@@H]1CC(O)=O Amb25331268 [0,0,0,1,0,0|1,0,1]=3 2391 B8R1.20 C=C1C[C@H]1CC(O)=O Amb24686141 [0,0,0,1,0,0|1,0,1]=3 2392 B8R1.20 CC1CC1=CC(O)=O Amb25256441 [0,0,0,1,0,0|1,0,2]=4 2393 B8R1.20 CC1CC1CB(O)O Amb24641424 [0,0,0,1,0,0|2,0,1]=4 2394 B8R1.20 CC1CC1CC(N)=O Amb25772500 [0,0,0,1,0,0|2,0,0]=3 2395 B8R1.20 CC1CC1CC(O)=O Amb25316515 [0,0,0,1,0,0|1,0,0]=2 2396 B8R1.20 CC1CC1NC(N)=O Amb25074259 [0,0,0,1,0,0|3,0,0]=4 2397 B8R1.20 CC1OC1CC(O)=O Amb24710388 [0,0,0,1,0,0|2,0,0]=3 2398 B8R1.20 C[C@@H]1C[C@H]1CC(C)=O Amb24373459 [0,0,0,1,0,0|2,0,0]=3 2399 B8R1.20 C[C@@H]1C[C@H]1NC(C)=O Amb24619123 [0,0,0,1,0,0|3,0,0]=4 2400 B8R1.20 C[C@@H]1O[C@H]1CC(N)=O Amb24629162 [0,0,0,1,0,0|3,0,0]=4 2401 B8R1.20 C[C@H]1C[C@H]1CC(C)=O Amb25257655 [0,0,0,1,0,0|2,0,0]=3 2402 B8R1.20 C[C@H]1C[C@H]1CC(O)=O Amb25174744 [0,0,0,1,0,0|1,0,0]=2 2403 B8R1.20 C[C@H]1C[C@H]1NC(N)=O Amb24532410 [0,0,0,1,0,0|3,0,0]=4 2404 B8R1.20 C[C@H]1O[C@H]1CC(O)=O Amb25747306 [0,0,0,1,0,0|2,0,0]=3 2405 B8R1.20 N[C@H]1C[C@H]1CC(O)=O Amb24585123 [0,0,0,1,0,0|1,0,0]=2 2406 B8R1.31 CC(=O)C1CCN1C Amb25196048 [0,0,0,1,0,0|3,0,0]=4 2407 B8R1.31 CC1CCC1C(=O)Cl Amb25123268 [0,0,0,1,0,0|2,0,0]=3 2408 B8R1.31 CC1CCC1C(C)=O Amb25101506 [0,0,0,1,0,0|2,0,0]=3 2409 B8R1.31 CC1CCC1C(C)O Amb25270791 [0,0,0,1,0,0|2,0,1]=4 2410 B8R1.31 CC1CCC1C(N)=O Amb24481452 [0,0,0,1,0,0|2,0,0]=3 2411 B8R1.31 CC1CCC1C(O)=O Amb21857447 [0,0,0,1,0,0|1,0,0]=2 2412 B8R1.31 CC1CCN1C(N)=O Amb24748909 [0,0,0,1,0,0|3,0,0]=4 2413 B8R1.31 CN1CCC1C(N)=O Amb22227962 [0,0,0,1,0,0|3,0,0]=4 2414 B8R1.31 CN1CCC1C(O)=O Amb22011586 [0,0,0,1,0,0|2,0,0]=3 2415 B8R1.31 CN1CC[C@@H]1C(O)=O Amb24183372 [0,0,0,1,0,0|2,0,0]=3 2416 B8R1.31 CN1CC[C@H]1C(O)=O Amb24699921 [0,0,0,1,0,0|2,0,0]=3 2417 B8R1.31 C[C@@H]1CC[C@H]1C(O)=O Amb25174793 [0,0,0,1,0,0|1,0,0]=2 2418 B8R1.31 C[C@@H]1CN[C@@H]1C(O)=O Amb24597629 [0,0,0,1,0,0|1,0,0]=2 2419 B8R1.31 C[C@H]1CC[C@@H]1C(O)=O Amb24561899 [0,0,0,1,0,0|1,0,0]=2 2420 B8R1.31 C[C@H]1CC[C@H]1C(O)=O Amb25259513 [0,0,0,1,0,0|1,0,0]=2 2421 B8R1.31 C[C@H]1CN[C@@H]1C(O)=O Amb24629618 [0,0,0,1,0,0|1,0,0]=2 2422 B8R1.31 NC(=O)C1CCC1Cl Amb24482516 [0,0,0,1,0,0|3,0,0]=4 2423 B8R1.31 NC(=O)[C@@H]1CC[C@@H]1Cl Amb25174435 [0,0,0,1,0,0|3,0,0]=4 2424 B8R1.31 NC(=O)[C@@H]1CC[C@H]1Cl Amb25024326 [0,0,0,1,0,0|3,0,0]=4 2425 B8R1.31 NC1CCC1C(N)=O Amb20248288 [0,0,0,1,0,0|3,0,0]=4 2426 B8R1.31 NC1COC1C(N)=O Amb25309396 [0,0,0,1,0,0|2,0,0]=3 2427 B8R1.31 NN1CCC1C(O)=O Amb25189887 [0,0,0,1,0,0|3,0,0]=4 2428 B8R1.31 N[C@@H]1CC[C@@H]1C(N)=O Amb24670123 [0,0,0,1,0,0|3,0,0]=4 2429 B8R1.31 N[C@@H]1CC[C@@H]1C(O)=O Amb24117048 [0,0,0,1,0,0|2,0,0]=3 2430 B8R1.31 N[C@@H]1CC[C@@H]1C(O)=O Amb24183584 [0,0,0,1,0,0|2,0,0]=3 2431 B8R1.31 N[C@@H]1CO[C@@H]1C(O)=O Amb24568133 [0,0,0,1,0,0|1,0,0]=2 2432 B8R1.31 N[C@@H]1CO[C@H]1C(O)=O Amb24681491 [0,0,0,1,0,0|1,0,0]=2 2433 B8R1.31 N[C@H]1CC[C@H]1C(N)=O Amb25326921 [0,0,0,1,0,0|3,0,0]=4 2434 B8R1.31 N[C@H]1CO[C@@H]1C(O)=O Amb25324265 [0,0,0,1,0,0|1,0,0]=2 2435 B8R1.31 O=C(Cl)C1CCC1Cl Amb25718688 [0,0,0,1,0,0|3,0,0]=4 2436 B8R1.31 O=C(Cl)[C@@H]1CC[C@@H]1Cl Amb25361006 [0,0,0,1,0,0|3,0,0]=4 2437 B8R1.31 OC(=O)C1C=CC1Cl Amb24482989 [0,0,0,1,0,0|2,0,1]=4 2438 B8R1.31 OC(=O)C1CCC1S Amb25830696 [0,0,0,1,0,0|2,0,0]=3 2439 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1Cl Amb24514834 [0,0,0,1,0,0|2,0,0]=3 2440 B8R1.31 OC(=O)[C@@H]1CC[C@H]1Cl Amb24580965 [0,0,0,1,0,0|2,0,0]=3 2441 B8R1.31 OC1CCC1C(O)=O Amb24481384 [0,0,0,1,0,0|2,0,0]=3 2442 B8R1.34 CC(=C)CC1CCC1 Amb25141378 [0,0,0,1,0,0|3,0,0]=4 2443 B8R1.34 CC(=C)CC1CNC1 Amb24576858 [0,0,0,1,0,0|3,0,0]=4 2444 B8R1.34 CC(=O)C=C1COC1 Amb20671341 [0,0,0,1,0,0|1,0,2]=4 2445 B8R1.34 CC(=O)CC1CCC1 Amb20668826 [0,0,0,1,0,0|2,0,0]=3 2446 B8R1.34 CC(=O)CC1COC1 Amb22728373 [0,0,0,1,0,0|1,0,0]=2 2447 B8R1.34 CC(=O)CN1CCC1 Amb25266769 [0,0,0,1,0,0|3,0,0]=4 2448 B8R1.34 CC(=O)NC1CNC1 Amb21960869 [0,0,0,1,0,0|3,0,0]=4 2449 B8R1.34 CC(=O)OC1CCC1 Amb25215621 [0,0,0,1,0,0|3,0,0]=4 2450 B8R1.34 CC(=O)OC1CNC1 Amb21956164 [0,0,0,1,0,0|3,0,0]=4 2451 B8R1.34 CC(=O)OC1CNC1 Amb21959342 [0,0,0,1,0,0|3,0,0]=4 2452 B8R1.34 CC(=O)OC1COC1 Amb25257353 [0,0,0,1,0,0|2,0,0]=3 2453 B8R1.34 CC(N)CC1COC1 Amb25312424 [0,0,0,1,0,0|2,0,1]=4 2454 B8R1.34 CC(O)CC1CCC1 Amb24590967 [0,0,0,1,0,0|2,0,1]=4 2455 B8R1.34 CC(O)CC1CSC1 Amb25746467 [0,0,0,1,0,0|1,1,1]=4 2456 B8R1.34 C[C@@H](O)CC1CCC1 Amb24673338 [0,0,0,1,0,0|2,0,1]=4 2457 B8R1.34 C[C@H](O)CC1CCC1 Amb24719399 [0,0,0,1,0,0|2,0,1]=4 2458 B8R1.34 NC(=N)CC1CCC1 Amb25693457 [0,0,0,1,0,0|3,0,0]=4 2459 B8R1.34 NC(=N)NC1COC1 Amb24413248 [0,0,0,1,0,0|3,0,0]=4 2460 B8R1.34 NC(=O)CC1CCN1 Amb24561003 [0,0,0,1,0,0|3,0,0]=4 2461 B8R1.34 NC(=O)CC1COC1 Amb25080580 [0,0,0,1,0,0|1,0,0]=2 2462 B8R1.34 NC(=O)CN1CCC1 Amb25167404 [0,0,0,1,0,0|3,0,0]=4 2463 B8R1.34 NC(=O)NC1CCC1 Amb24692278 [0,0,0,1,0,0|3,0,0]=4 2464 B8R1.34 NC(=O)OC1CNC1 Amb23598269 [0,0,0,1,0,0|3,0,0]=4 2465 B8R1.34 NC(=O)OC1CSC1 Amb22364584 [0,0,0,1,0,0|2,1,0]=4 2466 B8R1.34 O=C(Cl)CC1CCC1 Amb22491179 [0,0,0,1,0,0|2,0,0]=3 2467 B8R1.34 OC(=O)C=C1CCC1 Amb20667794 [0,0,0,1,0,0|1,0,2]=4 2468 B8R1.34 OC(=O)C=C1CSC1 Amb24379733 [0,0,0,1,0,0|0,1,2]=4 2469 B8R1.34 OC(=O)CC1CCN1 Amb25068427 [0,0,0,1,0,0|2,0,0]=3 2470 B8R1.34 OC(=O)CC1CNC1 Amb21856240 [0,0,0,1,0,0|1,0,0]=2 2471 B8R1.34 OC(=O)CC1CNC1 Amb22057370 [0,0,0,1,0,0|1,0,0]=2 2472 B8R1.34 OC(=O)CC1CNC1 Amb22739043 [0,0,0,1,0,0|1,0,0]=2 2473 B8R1.34 OC(=O)CC1COC1 Amb18199145 [0,0,0,1,0,0|0,0,0]=1 2474 B8R1.34 OC(=O)CC=1CCC1 Amb24397299 [0,0,0,1,0,0|1,0,2]=4 2475 B8R1.34 OC(=O)CN1CCC1 Amb22059611 [0,0,0,1,0,0|2,0,0]=3 2476 B8R1.34 [O-][N+](=O)CC1COC1 Amb21961002 [0,0,0,1,0,0|1,0,1]=3 2477 B8R1.40 CC(CC1CC1)CO Amb24433846 [0,0,0,1,0,0|2,0,1]=4 2478 B8R1.42 CC(=O)CC1(C)CC1 Amb10607353 [0,0,0,1,0,0|2,0,0]=3 2479 B8R1.42 CC(=O)CC1(C)CO1 Amb25232199 [0,0,0,1,0,0|1,0,0]=2 2480 B8R1.42 CC(=O)CC1(F)CC1 Amb24748494 [0,0,0,1,0,0|3,0,0]=4 2481 B8R1.42 CC(=O)NC1(C)CC1 Amb24372211 [0,0,0,1,0,0|3,0,0]=4 2482 B8R1.42 CC(=O)OC1(C)CC1 Amb10069988 [0,0,0,1,0,0|3,0,0]=4 2483 B8R1.42 CC(C)CC1(C)CO1 Amb24715821 [0,0,0,1,0,0|2,0,1]=4 2484 B8R1.42 CC(O)CC1(C)CO1 Amb25135513 [0,0,0,1,0,0|1,0,1]=3 2485 B8R1.42 CC1(CC(N)=O)CC1 Amb24393728 [0,0,0,1,0,0|2,0,0]=3 2486 B8R1.42 CC1(CC(O)=O)CC1 Amb18833039 [0,0,0,1,0,0|1,0,0]=2 2487 B8R1.42 CC1(CC1)NC(N)=O Amb24579273 [0,0,0,1,0,0|3,0,0]=4 2488 B8R1.42 CC1(CO1)CC(Cl)Cl Amb24738684 [0,0,0,1,0,0|2,0,1]=4 2489 B8R1.42 C[C@@H](O)C[C@]1(C)CO1 Amb25218841 [0,0,0,1,0,0|1,0,1]=3 2490 B8R1.42 NC1(CC(O)=O)CC1 Amb18833024 [0,0,0,1,0,0|2,0,0]=3 2491 B8R1.42 NC1(CC(O)=O)CC1 Amb21964520 [0,0,0,1,0,0|2,0,0]=3 2492 B8R1.42 OC(=O)CC1(O)CC1 Amb24117238 [0,0,0,1,0,0|2,0,0]=3 2493 B8R1.43 C#C[C@@H]1C[C@H]1C(O)=O Amb25294666 [0,0,0,1,0,0|1,0,1]=3 2494 B8R1.43 C#C[C@H]1C[C@@H]1C(O)=O Amb24076488 [0,0,0,1,0,0|1,0,1]=3 2495 B8R1.43 C=CC1CC1C(N)=O Amb24530246 [0,0,0,1,0,0|2,0,1]=4 2496 B8R1.43 C=C[C@H]1C[C@@H]1C(O)=O Amb24562586 [0,0,0,1,0,0|1,0,1]=3 2497 B8R1.43 C=C[C@H]1C[C@H]1C(O)=O Amb25173924 [0,0,0,1,0,0|1,0,1]=3 2498 B8R1.43 CC(=C)C1OC1CO Amb25025825 [0,0,0,1,0,0|3,0,0]=4 2499 B8R1.43 CC(=C)[C@@H]1O[C@H]1CO Amb24538968 [0,0,0,1,0,0|3,0,0]=4 2500 B8R1.43 CC(=O)C1CC1CO Amb25762004 [0,0,0,1,0,0|1,0,0]=2 2501 B8R1.43 CC(=O)[C@@H]1C[C@@H]1C=C Amb25784181 [0,0,0,1,0,0|2,0,1]=4 2502 B8R1.43 CC(=O)[C@H]1C[C@@H]1C=C Amb24570441 [0,0,0,1,0,0|2,0,1]=4 2503 B8R1.43 CC(C)=C1CC1CO Amb24577410 [0,0,0,1,0,0|2,0,1]=4 2504 B8R1.43 CC(O)[C@@H]1C[C@H]1CC Amb24733487 [0,0,0,1,0,0|2,0,1]=4 2505 B8R1.43 CC(O)[C@H]1C[C@H]1CO Amb25260054 [0,0,0,1,0,0|1,0,1]=3 2506 B8R1.43 CCC1CC1C(N)=O Amb24482378 [0,0,0,1,0,0|2,0,0]=3 2507 B8R1.43 CCC1CC1C(O)=O Amb18961272 [0,0,0,1,0,0|1,0,0]=2 2508 B8R1.43 CCC1OC1C(O)=O Amb24640795 [0,0,0,1,0,0|2,0,0]=3 2509 B8R1.43 CC[C@@H]1C[C@@H]1C(C)=O Amb25779618 [0,0,0,1,0,0|2,0,0]=3 2510 B8R1.43 CC[C@@H]1C[C@H]1C(=O)Cl Amb24606720 [0,0,0,1,0,0|2,0,0]=3 2511 B8R1.43 CC[C@@H]1C[C@H]1C(C)=O Amb25809901 [0,0,0,1,0,0|2,0,0]=3 2512 B8R1.43 CC[C@@H]1C[C@H]1C(N)=O Amb24532446 [0,0,0,1,0,0|2,0,0]=3 2513 B8R1.43 CC[C@@H]1C[C@H]1C(O)=O Amb24112910 [0,0,0,1,0,0|1,0,0]=2 2514 B8R1.43 CC[C@@H]1O[C@H]1C(O)=O Amb24587605 [0,0,0,1,0,0|2,0,0]=3 2515 B8R1.43 CC[C@H]1C[C@H]1C(C)=O Amb24635581 [0,0,0,1,0,0|2,0,0]=3 2516 B8R1.43 CN(C)[C@H]1C[C@@H]1CO Amb24520130 [0,0,0,1,0,0|3,0,0]=4 2517 B8R1.43 COC1CC1C(C)=O Amb25252874 [0,0,0,1,0,0|3,0,0]=4 2518 B8R1.43 COC1CC1C(O)=O Amb25081919 [0,0,0,1,0,0|2,0,0]=3 2519 B8R1.43 CO[C@@H]1C[C@H]1C(O)=O Amb24514838 [0,0,0,1,0,0|2,0,0]=3 2520 B8R1.43 C[C@@H](O)[C@@H]1C[C@@H]1CC Amb25358065 [0,0,0,1,0,0|2,0,1]=4 2521 B8R1.43 C[C@@H](O)[C@@H]1C[C@@H]1CO Amb25206739 [0,0,0,1,0,0|1,0,1]=3 2522 B8R1.43 C[C@H](O)[C@@H]1C[C@@H]1CO Amb25175328 [0,0,0,1,0,0|1,0,1]=3 2523 B8R1.43 C[C@H](O)[C@@H]1C[C@H]1CO Amb24588289 [0,0,0,1,0,0|1,0,1]=3 2524 B8R1.43 C[C@H](O)[C@H]1C[C@H]1CO Amb24732834 [0,0,0,1,0,0|1,0,1]=3 2525 B8R1.43 C[C@H](O)[C@H]1O[C@@H]1CO Amb25177040 [0,0,0,1,0,0|2,0,1]=4 2526 B8R1.43 C\C=C/1\CC1C(O)=O Amb24386730 [0,0,0,1,0,0|1,0,2]=4 2527 B8R1.43 C\C=C/1\C[C@H]1C(O)=O Amb25359125 [0,0,0,1,0,0|1,0,2]=4 2528 B8R1.43 N#CC1CC1C(O)=O Amb24183452 [0,0,0,1,0,0|1,0,1]=3 2529 B8R1.43 N#C[C@@H]1C[C@@H]1C(O)=O Amb24183522 [0,0,0,1,0,0|1,0,1]=3 2530 B8R1.43 N#C[C@@H]1C[C@H]1C(O)=O Amb24183456 [0,0,0,1,0,0|1,0,1]=3 2531 B8R1.43 N#C[C@H]1C[C@H]1C(O)=O Amb25168974 [0,0,0,1,0,0|1,0,1]=3 2532 B8R1.43 NC(=O)C1CC1CO Amb23538670 [0,0,0,1,0,0|1,0,0]=2 2533 B8R1.43 NC(=O)C1OC1CBr Amb25702387 [0,0,0,1,0,0|3,0,0]=4 2534 B8R1.43 NC(=O)C1OC1CO Amb25351466 [0,0,0,1,0,0|2,0,0]=3 2535 B8R1.43 NC(=O)[C@@H]1O[C@H]1CO Amb25229010 [0,0,0,1,0,0|2,0,0]=3 2536 B8R1.43 NCC1CC1C(N)=O Amb24604918 [0,0,0,1,0,0|2,0,0]=3 2537 B8R1.43 NC[C@@H]1C[C@@H]1C(O)=O Amb24680970 [0,0,0,1,0,0|1,0,0]=2 2538 B8R1.43 NNC1CC1C(=O)O Amb10576221 [0,0,0,1,0,0|2,0,0]=3 2539 B8R1.43 OB(O)[C@H]1C[C@@H]1CCl Amb24551898 [0,0,0,1,0,0|2,0,1]=4 2540 B8R1.43 OC(=O)[C@@H]1C[C@H]1C=O Amb25174216 [0,0,0,1,0,0|0,0,2]=3 2541 B8R1.43 OC(=O)[C@@H]1C[C@H]1CCl Amb24698643 [0,0,0,1,0,0|1,0,0]=2 2542 B8R1.43 OC(=O)[C@H]1C[C@@H]1C=O Amb25188101 [0,0,0,1,0,0|0,0,2]=3 2543 B8R1.43 OC(=O)[C@H]1C[C@@H]1CBr Amb24515045 [0,0,0,1,0,0|1,0,0]=2 2544 B8R1.43 OC(=O)[C@H]1O[C@@H]1CBr Amb24603042 [0,0,0,1,0,0|2,0,0]=3 2545 B8R1.43 OCC1CC1C(O)=O Amb25173469 [0,0,0,1,0,0|0,0,0]=1 2546 B8R1.43 OC[C@@H]1C[C@H]1C(O)=O Amb25231147 [0,0,0,1,0,0|0,0,0]=1 2547 B8R1.43 OC[C@H]1C[C@@H]1C(O)=O Amb25319844 [0,0,0,1,0,0|0,0,0]=1 2548 B8R1.43 [O-]C(=O)C1OC1CO Amb24557010 [0,0,0,1,0,0|1,0,1]=3 2549 B8R1.43 [O-]C(=O)[C@@H]1O[C@H]1CO Amb25215740 [0,0,0,1,0,0|1,0,1]=3 2550 B8R1.43 [O-]C(=O)[C@H]1O[C@@H]1CO Amb24541614 [0,0,0,1,0,0|1,0,1]=3 2551 B8R1.43 [O-][N+](=O)C1CC1CO Amb23571861 [0,0,0,1,0,0|1,0,1]=3 2552 B8R1.51 CC1CCS(=O)(=O)C1 Amb2548451 [0,0,0,1,0,0|2,0,1]=4 2553 B8R1.51 CC1CNS(=O)(=O)C1 Amb24117862 [0,0,0,1,0,0|2,0,1]=4 2554 B8R1.51 CC1COS(=O)(=O)O1 Amb17772236 [0,0,0,1,0,0|2,0,1]=4 2555 B8R1.51 C[C@@H]1COS(=O)(=O)O1 Amb22736783 [0,0,0,1,0,0|2,0,1]=4 2556 B8R1.51 NC1COS(=O)(=O)C1 Amb24548196 [0,0,0,1,0,0|2,0,1]=4 2557 B8R1.51 NC1CP(O)(=O)CC1 Amb25231215 [0,0,0,1,0,0|3,0,0]=4 2558 B8R1.51 N[C@@H]1COS(=O)(=O)C1 Amb24740749 [0,0,0,1,0,0|2,0,1]=4 2559 B8R1.53 CC1(C)CC(CO)C1 Amb22011882 [0,0,0,1,0,0|2,0,1]=4 2560 B8R1.53 C[C@@]1(O)C[C@@H](CN)C1 Amb23440209 [0,0,0,1,0,0|2,0,1]=4 2561 B8R1.53 C[C@@]1(O)C[C@H](CN)C1 Amb23440242 [0,0,0,1,0,0|2,0,1]=4 2562 B8R1.53 O=S1(=O)CC(CBr)C1 Amb24663256 [0,0,0,1,0,0|2,0,1]=4 2563 B8R1.53 OCC1CC(F)(F)C1 Amb17943101 [0,0,0,1,0,0|2,0,1]=4 2564 B8R1.53 OC[C@@H]1CS(=O)(=O)N1 Amb25306284 [0,0,0,1,0,0|2,0,1]=4 2565 B8R1.62 CC1(CC(=O)C1)C#N Amb25830064 [0,0,0,1,0,0|2,0,1]=4 2566 B8R1.62 CC1(CC(=O)N1)C=C Amb24347816 [0,0,0,1,0,0|2,0,1]=4 2567 B8R1.62 CC1(CCl)CC(=O)O1 Amb25784185 [0,0,0,1,0,0|1,0,0]=2 2568 B8R1.62 CC1(CN)CC(=C)C1 Amb25227928 [0,0,0,1,0,0|3,0,0]=4 2569 B8R1.62 CC1(CO)CC(=O)C1 Amb22406263 [0,0,0,1,0,0|1,0,0]=2 2570 B8R1.62 CC1(CS)CC(=O)N1 Amb25771053 [0,0,0,1,0,0|1,1,0]=3 2571 B8R1.62 CC1CC(C)(CO)C1 Amb23449214 [0,0,0,1,0,0|2,0,1]=4 2572 B8R1.62 CCC1(C)CC(=O)N1 Amb24443895 [0,0,0,1,0,0|2,0,0]=3 2573 B8R1.62 CC[C@@]1(C)CC(=O)N1 Amb25766440 [0,0,0,1,0,0|2,0,0]=3 2574 B8R1.62 COC1(C)CC(=O)C1 Amb24686485 [0,0,0,1,0,0|3,0,0]=4 2575 B8R1.62 C[C@@H]1C[C@@](C)(CO)O1 Amb24719752 [0,0,0,1,0,0|1,0,1]=3 2576 B8R1.62 C[C@@]1(CC(=O)N1)C=C Amb25770505 [0,0,0,1,0,0|2,0,1]=4 2577 B8R1.62 C[C@H]1C[C@@](C)(CO)O1 Amb24688454 [0,0,0,1,0,0|1,0,1]=3 2578 B8R1.62 NC1(CC(O)C1)CO Amb24596755 [0,0,0,1,0,0|2,0,1]=4 2579 B8R1.65 CC1(C)CC1(C)CO Amb25712593 [0,0,0,1,0,0|2,0,1]=4 2580 B8R1.65 CC1(CC1(F)F)CO Amb20670253 [0,0,0,1,0,0|2,0,1]=4 2581 B8R1.65 C[C@]1(C[C@@]1(F)Cl)CO Amb24516409 [0,0,0,1,0,0|2,0,1]=4 2582 B8R1.67 CC(=O)C1C(C)C1C Amb24722893 [0,0,0,1,0,0|2,0,0]=3 2583 B8R1.67 CC(=O)[C@@H]1[C@@H](C)C1=C Amb24634605 [0,0,0,1,0,0|2,0,1]=4 2584 B8R1.67 CC(=O)[C@H]1[C@H](C)C1=C Amb25336490 [0,0,0,1,0,0|2,0,1]=4 2585 B8R1.67 CC(O)C1C(C)C1C Amb25199981 [0,0,0,1,0,0|2,0,1]=4 2586 B8R1.67 CC1C(C1C)C(N)=O Amb24627878 [0,0,0,1,0,0|2,0,0]=3 2587 B8R1.67 CC1C(C1C)C(O)=O Amb25314641 [0,0,0,1,0,0|1,0,0]=2 2588 B8R1.67 CC1C(Cl)C1C(C)=O Amb25122776 [0,0,0,1,0,0|2,0,0]=3 2589 B8R1.67 CC1C(N)C1C(O)=O Amb25764435 [0,0,0,1,0,0|1,0,0]=2 2590 B8R1.67 CC=1C(C(O)=O)C1C Amb25737086 [0,0,0,1,0,0|1,0,2]=4 2591 B8R1.67 CC=1C(C)C1C(O)=O Amb24586301 [0,0,0,1,0,0|1,0,2]=4 2592 B8R1.67 CC=1[C@H](C)C1C(O)=O Amb24445514 [0,0,0,1,0,0|1,0,2]=4 2593 B8R1.67 C[C@@H]1[C@@H](Br)[C@H]1C(C)=O Amb24654990 [0,0,0,1,0,0|2,0,0]=3 2594 B8R1.67 C[C@@H]1[C@H]([C@@H]1C)C(N)=O Amb24332855 [0,0,0,1,0,0|2,0,0]=3 2595 B8R1.67 C[C@@H]1[C@H]([C@@H]1C)C(O)=O Amb25378219 [0,0,0,1,0,0|1,0,0]=2 2596 B8R1.67 C[C@H]1C([C@@H]1C)C(O)=O Amb25811791 [0,0,0,1,0,0|1,0,0]=2 2597 B8R1.67 C[C@H]1[C@@H](Br)[C@@H]1C(C)=O Amb25216918 [0,0,0,1,0,0|2,0,0]=3 2598 B8R1.67 C[C@H]1[C@@H](Cl)[C@@H]1C(C)=O Amb25179034 [0,0,0,1,0,0|2,0,0]=3 2599 B8R1.67 C[C@H]1[C@H](Br)[C@@H]1C(C)=O Amb25300342 [0,0,0,1,0,0|2,0,0]=3 2600 B8R1.67 C[C@H]1[C@H](N)[C@@H]1C(O)=O Amb24698691 [0,0,0,1,0,0|1,0,0]=2 2601 B6R0.3 C#CC(O)C(O)=O Amb22731622 [0,0,0,0,1,0|2,0,1]=4 2602 B6R0.3 C#C[C@H](N)C(O)=O Amb22350666 [0,0,0,0,1,0|2,0,1]=4 2603 B6R0.3 C=C(CF)C(O)=O Amb25215375 [0,0,0,0,1,0|1,0,2]=4 2604 B6R0.3 C=C(CI)C(O)=O Amb24419641 [0,0,0,0,1,0|1,0,2]=4 2605 B6R0.3 C=C(CN)C(O)=O Amb25200864 [0,0,0,0,1,0|1,0,2]=4 2606 B6R0.3 C=C(CO)C(=O)Cl Amb25169545 [0,0,0,0,1,0|1,0,2]=4 2607 B6R0.3 C=C(CO)C(O)=O Amb18121817 [0,0,0,0,1,0|0,0,2]=3 2608 B6R0.3 C=CC(Br)C(O)=O Amb24453871 [0,0,0,0,1,0|2,0,1]=4 2609 B6R0.3 C=CC(N)C(O)=O Amb20240543 [0,0,0,0,1,0|2,0,1]=4 2610 B6R0.3 C=CC(O)C(O)=O Amb24061247 [0,0,0,0,1,0|2,0,1]=4 2611 B6R0.3 C=C[C@@H](N)C(O)=O Amb20241335 [0,0,0,0,1,0|2,0,1]=4 2612 B6R0.3 C=C[C@@H](N)C(O)=O Amb22756048 [0,0,0,0,1,0|2,0,1]=4 2613 B6R0.3 C=C[C@@H](O)C(O)=O Amb25146844 [0,0,0,0,1,0|2,0,1]=4 2614 B6R0.3 C=C[C@H](O)C(O)=O Amb25118468 [0,0,0,0,1,0|2,0,1]=4 2615 B6R0.3 CC(=C)C(Br)CO Amb25707965 [0,0,0,0,1,0|3,0,0]=4 2616 B6R0.3 CC(=C)C(O)CO Amb23570510 [0,0,0,0,1,0|3,0,0]=4 2617 B6R0.3 CC(=C)[C@@H](N)CO Amb25693320 [0,0,0,0,1,0|3,0,0]=4 2618 B6R0.3 CC(=C)[C@@H](O)CO Amb25747414 [0,0,0,0,1,0|3,0,0]=4 2619 B6R0.3 CC(=C)[C@H](O)CO Amb24439174 [0,0,0,0,1,0|3,0,0]=4 2620 B6R0.3 CC(=C=C)C(=O)O Amb17593066 [0,0,0,0,1,0|1,0,2]=4 2621 B6R0.3 CC(=CCl)C(O)=O Amb25692582 [0,0,0,0,1,0|1,0,2]=4 2622 B6R0.3 CC(=CN)C(O)=O Amb25375168 [0,0,0,0,1,0|1,0,2]=4 2623 B6R0.3 CC(=CO)C(C)=O Amb25377802 [0,0,0,0,1,0|1,0,2]=4 2624 B6R0.3 CC(=CO)C(O)=O Amb25745269 [0,0,0,0,1,0|0,0,2]=3 2625 B6R0.3 CC(=NBr)C(O)=O Amb24518467 [0,0,0,0,1,0|2,0,1]=4 2626 B6R0.3 CC(=O)C(=C)CO Amb24571845 [0,0,0,0,1,0|1,0,2]=4 2627 B6R0.3 CC(=O)C(Br)CO Amb24649743 [0,0,0,0,1,0|2,0,0]=3 2628 B6R0.3 CC(=O)C(Cl)CF Amb24594938 [0,0,0,0,1,0|3,0,0]=4 2629 B6R0.3 CC(=O)C(Cl)CO Amb25321596 [0,0,0,0,1,0|2,0,0]=3 2630 B6R0.3 CC(=O)C(F)CO Amb24725289 [0,0,0,0,1,0|2,0,0]=3 2631 B6R0.3 CC(=O)C(N)CN Amb24479898 [0,0,0,0,1,0|3,0,0]=4 2632 B6R0.3 CC(=O)C(N)CO Amb18640011 [0,0,0,0,1,0|2,0,0]=3 2633 B6R0.3 CC(=O)C(N)CS Amb24479874 [0,0,0,0,1,0|2,1,0]=4 2634 B6R0.3 CC(=O)C(O)CN Amb24636554 [0,0,0,0,1,0|3,0,0]=4 2635 B6R0.3 CC(=O)N(C)CCl Amb24428489 [0,0,0,0,1,0|3,0,0]=4 2636 B6R0.3 CC(=O)[C@@H](N)CO Amb22745043 [0,0,0,0,1,0|2,0,0]=3 2637 B6R0.3 CC(=O)[C@@H](O)CCl Amb24401543 [0,0,0,0,1,0|3,0,0]=4 2638 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [0,0,0,0,1,0|2,0,0]=3 2639 B6R0.3 CC(=O)[C@H](O)CCl Amb25169511 [0,0,0,0,1,0|3,0,0]=4 2640 B6R0.3 CC(=O)[C@H](O)CO Amb25838797 [0,0,0,0,1,0|2,0,0]=3 2641 B6R0.3 CC(C#C)C(O)=O Amb25085390 [0,0,0,0,1,0|1,0,1]=3 2642 B6R0.3 CC(C#N)C(N)=O Amb25336872 [0,0,0,0,1,0|2,0,1]=4 2643 B6R0.3 CC(C#N)C([O-])=O Amb22057371 [0,0,0,0,1,0|1,0,2]=4 2644 B6R0.3 CC(C#N)S(O)=O Amb25745526 [0,0,0,0,1,0|2,0,1]=4 2645 B6R0.3 CC(C(=C)C)CN Amb17593078 [0,0,0,0,1,0|3,0,0]=4 2646 B6R0.3 CC(C(=O)C)CO Amb10844844 [0,0,0,0,1,0|1,0,0]=2 2647 B6R0.3 CC(C(=O)O)C#N Amb17210512 [0,0,0,0,1,0|1,0,1]=3 2648 B6R0.3 CC(C(O)C)CN Amb10068614 [0,0,0,0,1,0|2,0,1]=4 2649 B6R0.3 CC(C)=C(C)CO Amb25107300 [0,0,0,0,1,0|2,0,1]=4 2650 B6R0.3 CC(C)[C@H](C)CO Amb24332267 [0,0,0,0,1,0|2,0,1]=4 2651 B6R0.3 CC(C=C)C(O)=O Amb21618706 [0,0,0,0,1,0|1,0,1]=3 2652 B6R0.3 CC(C=O)C(C)=O Amb18639572 [0,0,0,0,1,0|1,0,2]=4 2653 B6R0.3 CC(C=O)C(N)=O Amb24479831 [0,0,0,0,1,0|1,0,2]=4 2654 B6R0.3 CC(CBr)C(C)=O Amb25296678 [0,0,0,0,1,0|2,0,0]=3 2655 B6R0.3 CC(CBr)C(O)=O Amb22002601 [0,0,0,0,1,0|1,0,0]=2 2656 B6R0.3 CC(CBr)C(O)Cl Amb24724792 [0,0,0,0,1,0|2,0,1]=4 2657 B6R0.3 CC(CC)C(O)Br Amb24635628 [0,0,0,0,1,0|2,0,1]=4 2658 B6R0.3 CC(CCl)C(=O)Cl Amb24479841 [0,0,0,0,1,0|2,0,0]=3 2659 B6R0.3 CC(CCl)C(=O)S Amb24410197 [0,0,0,0,1,0|1,1,0]=3 2660 B6R0.3 CC(CCl)C(C)=C Amb25147594 [0,0,0,0,1,0|3,0,0]=4 2661 B6R0.3 CC(CCl)C(C)O Amb25662521 [0,0,0,0,1,0|2,0,1]=4 2662 B6R0.3 CC(CCl)C(N)=O Amb25061744 [0,0,0,0,1,0|2,0,0]=3 2663 B6R0.3 CC(CCl)C(O)=O Amb18522181 [0,0,0,0,1,0|1,0,0]=2 2664 B6R0.3 CC(CF)C(C)=O Amb25253758 [0,0,0,0,1,0|2,0,0]=3 2665 B6R0.3 CC(CF)C(O)=O Amb24432331 [0,0,0,0,1,0|1,0,0]=2 2666 B6R0.3 CC(CI)C(C)=C Amb25701888 [0,0,0,0,1,0|3,0,0]=4 2667 B6R0.3 CC(CI)C(O)=O Amb25695307 [0,0,0,0,1,0|1,0,0]=2 2668 B6R0.3 CC(CN)C(=O)Cl Amb24525988 [0,0,0,0,1,0|2,0,0]=3 2669 B6R0.3 CC(CN)C(C)=O Amb18639690 [0,0,0,0,1,0|2,0,0]=3 2670 B6R0.3 CC(CN)C(N)=S Amb24479604 [0,0,0,0,1,0|2,1,0]=4 2671 B6R0.3 CC(CN)S(C)=O Amb22157251 [0,0,0,0,1,0|3,0,0]=4 2672 B6R0.3 CC(CN)[N+]([O-])=O Amb24738614 [0,0,0,0,1,0|2,0,1]=4 2673 B6R0.3 CC(CO)C(C)=C Amb24539367 [0,0,0,0,1,0|2,0,0]=3 2674 B6R0.3 CC(CO)C(C)Cl Amb24479460 [0,0,0,0,1,0|2,0,1]=4 2675 B6R0.3 CC(CO)C(C)I Amb24410940 [0,0,0,0,1,0|2,0,1]=4 2676 B6R0.3 CC(CO)C(C)N Amb18122199 [0,0,0,0,1,0|2,0,1]=4 2677 B6R0.3 CC(CO)C(C)S Amb22641872 [0,0,0,0,1,0|1,1,1]=4 2678 B6R0.3 CC(CO)C([O-])=O Amb24123145 [0,0,0,0,1,0|0,0,1]=2 2679 B6R0.3 CC(CO)S(C)=O Amb25173825 [0,0,0,0,1,0|2,0,0]=3 2680 B6R0.3 CC(CS)C(C)=O Amb25830693 [0,0,0,0,1,0|1,1,0]=3 2681 B6R0.3 CC(CS)C(C)O Amb24334206 [0,0,0,0,1,0|1,1,1]=4 2682 B6R0.3 CC(CS)C(N)=O Amb25759660 [0,0,0,0,1,0|1,1,0]=3 2683 B6R0.3 CC(N=C)C(O)=O Amb24591339 [0,0,0,0,1,0|2,0,0]=3 2684 B6R0.3 CC(NBr)C(O)=O Amb24677636 [0,0,0,0,1,0|2,0,0]=3 2685 B6R0.3 CC(NCl)C(O)=O Amb25267473 [0,0,0,0,1,0|2,0,0]=3 2686 B6R0.3 CC(NN)C(O)=O Amb18640367 [0,0,0,0,1,0|2,0,0]=3 2687 B6R0.3 CC(O)C(Cl)CO Amb24633291 [0,0,0,0,1,0|2,0,1]=4 2688 B6R0.3 CC(O)C(O)CO Amb22227692 [0,0,0,0,1,0|2,0,1]=4 2689 B6R0.3 CC(O)[C@@H](N)CO Amb22800884 [0,0,0,0,1,0|2,0,1]=4 2690 B6R0.3 CC(ON)C(O)=O Amb24479235 [0,0,0,0,1,0|2,0,0]=3 2691 B6R0.3 CCC(=C)C(O)=O Amb18639591 [0,0,0,0,1,0|1,0,2]=4 2692 B6R0.3 CCC(=O)C(O)=O Amb22274199 [0,0,0,0,1,0|2,0,1]=4 2693 B6R0.3 CCC(B(O)O)C Amb10071974 [0,0,0,0,1,0|2,0,1]=4 2694 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [0,0,0,0,1,0|3,0,0]=4 2695 B6R0.3 CCC(Br)C(C)=O Amb24615269 [0,0,0,0,1,0|3,0,0]=4 2696 B6R0.3 CCC(Br)C(Cl)=O Amb17666758 [0,0,0,0,1,0|3,0,0]=4 2697 B6R0.3 CCC(C(=O)Cl)N Amb17593240 [0,0,0,0,1,0|3,0,0]=4 2698 B6R0.3 CCC(C(=O)N)Br Amb13952819 [0,0,0,0,1,0|3,0,0]=4 2699 B6R0.3 CCC(C(=O)N)N Amb1914080 [0,0,0,0,1,0|3,0,0]=4 2700 B6R0.3 CCC(C(=O)O)S Amb17501370 [0,0,0,0,1,0|2,0,0]=3 2701 B6R0.3 CCC(C)C(=C)Br Amb22583745 [0,0,0,0,1,0|3,0,0]=4 2702 B6R0.3 CCC(C)S([O-])=O Amb19893328 [0,0,0,0,1,0|2,0,1]=4 2703 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [0,0,0,0,1,0|3,0,0]=4 2704 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [0,0,0,0,1,0|3,0,0]=4 2705 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [0,0,0,0,1,0|3,0,0]=4 2706 B6R0.3 CCC(F)C(C)=O Amb24736393 [0,0,0,0,1,0|3,0,0]=4 2707 B6R0.3 CCC(F)C(N)=O Amb25811426 [0,0,0,0,1,0|3,0,0]=4 2708 B6R0.3 CCC(F)C(O)=O Amb25716167 [0,0,0,0,1,0|2,0,0]=3 2709 B6R0.3 CCC(I)C(N)=O Amb25131171 [0,0,0,0,1,0|3,0,0]=4 2710 B6R0.3 CCC(N)C(=O)S Amb24479075 [0,0,0,0,1,0|2,1,0]=4 2711 B6R0.3 CCC(N)C(C)=O Amb18202785 [0,0,0,0,1,0|3,0,0]=4 2712 B6R0.3 CCC(N)P(O)=O Amb25269903 [0,0,0,0,1,0|3,0,0]=4 2713 B6R0.3 CCC(O)C(C)=O Amb25336501 [0,0,0,0,1,0|3,0,0]=4 2714 B6R0.3 CCC(O)C(N)=O Amb24116514 [0,0,0,0,1,0|3,0,0]=4 2715 B6R0.3 CCC(O)C(O)=O Amb22352315 [0,0,0,0,1,0|2,0,0]=3 2716 B6R0.3 CCC(O)C(O)=O Amb22360643 [0,0,0,0,1,0|2,0,0]=3 2717 B6R0.3 CCC(O)C([O-])=O Amb17943026 [0,0,0,0,1,0|2,0,1]=4 2718 B6R0.3 CCC(O)C([O-])=O Amb24325325 [0,0,0,0,1,0|2,0,1]=4 2719 B6R0.3 CCC(O)P(O)=O Amb25169578 [0,0,0,0,1,0|3,0,0]=4 2720 B6R0.3 CCC(S)C(N)=O Amb24479879 [0,0,0,0,1,0|3,0,0]=4 2721 B6R0.3 CCN(C)C(C)=O Amb22753516 [0,0,0,0,1,0|3,0,0]=4 2722 B6R0.3 CC[C@@H](Br)C(=O)Cl Amb24582761 [0,0,0,0,1,0|3,0,0]=4 2723 B6R0.3 CC[C@@H](Br)C(N)=O Amb25025862 [0,0,0,0,1,0|3,0,0]=4 2724 B6R0.3 CC[C@@H](C)C(=O)Cl Amb24577241 [0,0,0,0,1,0|2,0,0]=3 2725 B6R0.3 CC[C@@H](C)C(N)=O Amb22232008 [0,0,0,0,1,0|2,0,0]=3 2726 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [0,0,0,0,1,0|3,0,0]=4 2727 B6R0.3 CC[C@@H](Cl)C(O)=O Amb22800493 [0,0,0,0,1,0|2,0,0]=3 2728 B6R0.3 CC[C@@H](F)C(O)=O Amb24669143 [0,0,0,0,1,0|2,0,0]=3 2729 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [0,0,0,0,1,0|3,0,0]=4 2730 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [0,0,0,0,1,0|3,0,0]=4 2731 B6R0.3 CC[C@@H](O)C(C)=O Amb25108045 [0,0,0,0,1,0|3,0,0]=4 2732 B6R0.3 CC[C@@H](O)C(O)=O Amb22369401 [0,0,0,0,1,0|2,0,0]=3 2733 B6R0.3 CC[C@H](Br)C(N)=O Amb24365914 [0,0,0,0,1,0|3,0,0]=4 2734 B6R0.3 CC[C@H](Br)C(O)=O Amb20242441 [0,0,0,0,1,0|2,0,0]=3 2735 B6R0.3 CC[C@H](C(=O)O)N Amb16233349 [0,0,0,0,1,0|2,0,0]=3 2736 B6R0.3 CC[C@H](C)B(O)O Amb25746615 [0,0,0,0,1,0|2,0,1]=4 2737 B6R0.3 CC[C@H](C)C(C)=O Amb24706969 [0,0,0,0,1,0|2,0,0]=3 2738 B6R0.3 CC[C@H](C)C(N)=S Amb25266928 [0,0,0,0,1,0|2,1,0]=4 2739 B6R0.3 CC[C@H](Cl)C(=O)Cl Amb24710023 [0,0,0,0,1,0|3,0,0]=4 2740 B6R0.3 CC[C@H](Cl)C(O)=O Amb25190040 [0,0,0,0,1,0|2,0,0]=3 2741 B6R0.3 CC[C@H](F)C(O)=O Amb24479776 [0,0,0,0,1,0|2,0,0]=3 2742 B6R0.3 CC[C@H](O)C(C)=O Amb24332700 [0,0,0,0,1,0|3,0,0]=4 2743 B6R0.3 CC[C@H](O)C(N)=O Amb25858046 [0,0,0,0,1,0|3,0,0]=4 2744 B6R0.3 CN(CCl)C(=O)Cl Amb25076174 [0,0,0,0,1,0|3,0,0]=4 2745 B6R0.3 CNC(C)C(C)=O Amb24369529 [0,0,0,0,1,0|3,0,0]=4 2746 B6R0.3 CNC(C)C(O)=O Amb19373699 [0,0,0,0,1,0|2,0,0]=3 2747 B6R0.3 CN[C@@H](C)C(N)=O Amb22587575 [0,0,0,0,1,0|3,0,0]=4 2748 B6R0.3 CN[C@@H](C)C(N)=O Amb23385296 [0,0,0,0,1,0|3,0,0]=4 2749 B6R0.3 CN[C@H](C)C(N)=O Amb22586632 [0,0,0,0,1,0|3,0,0]=4 2750 B6R0.3 CN[C@H](C)C(N)=O Amb23385292 [0,0,0,0,1,0|3,0,0]=4 2751 B6R0.3 COC(N)C(O)=O Amb24621851 [0,0,0,0,1,0|3,0,0]=4 2752 B6R0.3 COC(O)C(O)=O Amb24479754 [0,0,0,0,1,0|3,0,0]=4 2753 B6R0.3 CO[C@H](C)C(C)=O Amb24736032 [0,0,0,0,1,0|3,0,0]=4 2754 B6R0.3 CSC(Br)C(O)=O Amb25169549 [0,0,0,0,1,0|3,0,0]=4 2755 B6R0.3 CSC(C)C(=O)Cl Amb24742667 [0,0,0,0,1,0|3,0,0]=4 2756 B6R0.3 CSC(F)C(O)=O Amb25043740 [0,0,0,0,1,0|3,0,0]=4 2757 B6R0.3 CS[C@@H](C)C(O)=O Amb25173497 [0,0,0,0,1,0|2,0,0]=3 2758 B6R0.3 C[C@@H](C(=O)O)CN Amb10844022 [0,0,0,0,1,0|1,0,0]=2 2759 B6R0.3 C[C@@H](C(=O)O)NC Amb16233347 [0,0,0,0,1,0|2,0,0]=3 2760 B6R0.3 C[C@@H](C(=O)O)NC Amb16233348 [0,0,0,0,1,0|2,0,0]=3 2761 B6R0.3 C[C@@H](C=O)C(C)=O Amb24666681 [0,0,0,0,1,0|1,0,2]=4 2762 B6R0.3 C[C@@H](CBr)C(C)=C Amb25772655 [0,0,0,0,1,0|3,0,0]=4 2763 B6R0.3 C[C@@H](CBr)C(O)=O Amb24334368 [0,0,0,0,1,0|1,0,0]=2 2764 B6R0.3 C[C@@H](CC)[C@H](C)O Amb24456969 [0,0,0,0,1,0|2,0,1]=4 2765 B6R0.3 C[C@@H](CCl)[C@@H](C)O Amb25137880 [0,0,0,0,1,0|2,0,1]=4 2766 B6R0.3 C[C@@H](CCl)[N+]([O-])=O Amb24407369 [0,0,0,0,1,0|2,0,1]=4 2767 B6R0.3 C[C@@H](CI)C(C)=C Amb25025023 [0,0,0,0,1,0|3,0,0]=4 2768 B6R0.3 C[C@@H](CN)C(O)=O Amb22756746 [0,0,0,0,1,0|1,0,0]=2 2769 B6R0.3 C[C@@H](CO)C(C)=C Amb25025795 [0,0,0,0,1,0|2,0,0]=3 2770 B6R0.3 C[C@@H](CO)C(C)=O Amb25320503 [0,0,0,0,1,0|1,0,0]=2 2771 B6R0.3 C[C@@H](CO)C(Cl)Cl Amb24332145 [0,0,0,0,1,0|2,0,1]=4 2772 B6R0.3 C[C@@H](CO)C(F)F Amb25747098 [0,0,0,0,1,0|2,0,1]=4 2773 B6R0.3 C[C@@H](CO)N(C)C Amb25373937 [0,0,0,0,1,0|3,0,0]=4 2774 B6R0.3 C[C@@H](CS)C(O)=O Amb24462697 [0,0,0,0,1,0|0,1,0]=2 2775 B6R0.3 C[C@@H](NN)C(O)=O Amb24732969 [0,0,0,0,1,0|2,0,0]=3 2776 B6R0.3 C[C@@H](NO)C(O)=O Amb24702625 [0,0,0,0,1,0|1,0,0]=2 2777 B6R0.3 C[C@@H](O)[C@H](C)CO Amb25810619 [0,0,0,0,1,0|1,0,1]=3 2778 B6R0.3 C[C@@H](O)[C@H](O)CO Amb25084430 [0,0,0,0,1,0|2,0,1]=4 2779 B6R0.3 C[C@H](C(=O)N)OC Amb17617080 [0,0,0,0,1,0|3,0,0]=4 2780 B6R0.3 C[C@H](C(=O)O)CCl Amb10844008 [0,0,0,0,1,0|1,0,0]=2 2781 B6R0.3 C[C@H](C(=O)O)NC Amb10844859 [0,0,0,0,1,0|2,0,0]=3 2782 B6R0.3 C[C@H](C=O)C(C)=O Amb25358934 [0,0,0,0,1,0|1,0,2]=4 2783 B6R0.3 C[C@H](CC)[C@H](C)O Amb25675718 [0,0,0,0,1,0|2,0,1]=4 2784 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [0,0,0,0,1,0|2,0,0]=3 2785 B6R0.3 C[C@H](CCl)C(O)=O Amb25133056 [0,0,0,0,1,0|1,0,0]=2 2786 B6R0.3 C[C@H](CN)C(O)=O Amb24117452 [0,0,0,0,1,0|1,0,0]=2 2787 B6R0.3 C[C@H](CN)[C@@H](C)O Amb24479790 [0,0,0,0,1,0|2,0,1]=4 2788 B6R0.3 C[C@H](CO)S(C)=O Amb24334035 [0,0,0,0,1,0|2,0,0]=3 2789 B6R0.3 C[C@H](CO)[C@H](C)Cl Amb24479757 [0,0,0,0,1,0|2,0,1]=4 2790 B6R0.3 C[C@H](CS)C(O)=O Amb25228453 [0,0,0,0,1,0|0,1,0]=2 2791 B6R0.3 C[C@H](N=C)C(O)=O Amb25720495 [0,0,0,0,1,0|2,0,0]=3 2792 B6R0.3 C[C@H](NCl)C(O)=O Amb24460300 [0,0,0,0,1,0|2,0,0]=3 2793 B6R0.3 C[C@H](O)[C@@H](C)CO Amb24480821 [0,0,0,0,1,0|1,0,1]=3 2794 B6R0.3 C[C@H](O)[C@H](C)CO Amb25127201 [0,0,0,0,1,0|1,0,1]=3 2795 B6R0.3 C[C@H](O)[C@H](N)CO Amb24479858 [0,0,0,0,1,0|2,0,1]=4 2796 B6R0.3 C[C@H](O)[C@H](O)CO Amb25185955 [0,0,0,0,1,0|2,0,1]=4 2797 B6R0.3 C[C@H](ON)C(O)=O Amb25853808 [0,0,0,0,1,0|2,0,0]=3 2798 B6R0.3 C\C(=C/N)\C(O)=O Amb24507602 [0,0,0,0,1,0|1,0,2]=4 2799 B6R0.3 C\C(=C/O)\C(O)=O Amb25140969 [0,0,0,0,1,0|0,0,2]=3 2800 B6R0.3 C\C(=C\O)\C(C)=O Amb24361303 [0,0,0,0,1,0|1,0,2]=4 2801 B6R0.3 C\C(=C\O)\C(N)=O Amb24479832 [0,0,0,0,1,0|1,0,2]=4 2802 B6R0.3 C\C(=N/O)\C(N)=O Amb24680733 [0,0,0,0,1,0|2,0,1]=4 2803 B6R0.3 C\C(=N\Br)\C(O)=O Amb25745370 [0,0,0,0,1,0|2,0,1]=4 2804 B6R0.3 C\C(=N\O)\C(O)=O Amb23523075 [0,0,0,0,1,0|1,0,1]=3 2805 B6R0.3 NC(=O)C(Cl)CCl Amb22228204 [0,0,0,0,1,0|3,0,0]=4 2806 B6R0.3 NC(=O)C(Cl)CO Amb24392534 [0,0,0,0,1,0|2,0,0]=3 2807 B6R0.3 NC(=O)C(F)CF Amb25128008 [0,0,0,0,1,0|3,0,0]=4 2808 B6R0.3 NC(=O)C(F)CO Amb24507432 [0,0,0,0,1,0|2,0,0]=3 2809 B6R0.3 NC(=O)[C@H](O)CO Amb25732480 [0,0,0,0,1,0|2,0,0]=3 2810 B6R0.3 NC(C#N)C(O)=O Amb25328320 [0,0,0,0,1,0|2,0,1]=4 2811 B6R0.3 NC(C(=O)N)CO Amb17593097 [0,0,0,0,1,0|2,0,0]=3 2812 B6R0.3 NC(C(=O)O)CF Amb10839589 [0,0,0,0,1,0|2,0,0]=3 2813 B6R0.3 NC(C(=O)O)CS Amb13961966 [0,0,0,0,1,0|1,1,0]=3 2814 B6R0.3 NC(C=O)C(O)=O Amb24349579 [0,0,0,0,1,0|1,0,2]=4 2815 B6R0.3 NC(C=S)C(O)=O Amb25227802 [0,0,0,0,1,0|1,1,1]=4 2816 B6R0.3 NC(CCl)C(O)=O Amb19651457 [0,0,0,0,1,0|2,0,0]=3 2817 B6R0.3 NC(CCl)C(O)=O Amb21961077 [0,0,0,0,1,0|2,0,0]=3 2818 B6R0.3 NC(CI)C(O)=O Amb25177412 [0,0,0,0,1,0|2,0,0]=3 2819 B6R0.3 NC(CO)[13C](O)=O Amb22353217 [0,0,0,0,1,0|1,0,0]=2 2820 B6R0.3 NC(CS)C(N)=O Amb18641990 [0,0,0,0,1,0|2,1,0]=4 2821 B6R0.3 NC(CS)C(O)=O Amb22489523 [0,0,0,0,1,0|1,1,0]=3 2822 B6R0.3 NC(CS)P(O)=O Amb25772157 [0,0,0,0,1,0|2,1,0]=4 2823 B6R0.3 NC([13CH2]S)C(O)=O Amb22054824 [0,0,0,0,1,0|1,1,0]=3 2824 B6R0.3 NCC(=O)C(O)=O Amb24361938 [0,0,0,0,1,0|2,0,1]=4 2825 B6R0.3 NCC(C(=O)O)Cl Amb17593263 [0,0,0,0,1,0|2,0,0]=3 2826 B6R0.3 NCC(C(=O)O)S Amb17593238 [0,0,0,0,1,0|2,0,0]=3 2827 B6R0.3 NCC(Cl)C(N)=O Amb25173817 [0,0,0,0,1,0|3,0,0]=4 2828 B6R0.3 NCC(F)C(O)=O Amb22733051 [0,0,0,0,1,0|2,0,0]=3 2829 B6R0.3 NCC(N)C(N)=O Amb18122079 [0,0,0,0,1,0|3,0,0]=4 2830 B6R0.3 NCC(N)C(O)=O Amb22899095 [0,0,0,0,1,0|2,0,0]=3 2831 B6R0.3 NC[C@@H](F)C(O)=O Amb25824168 [0,0,0,0,1,0|2,0,0]=3 2832 B6R0.3 NC[C@@H](N)C(O)=O Amb22745957 [0,0,0,0,1,0|2,0,0]=3 2833 B6R0.3 NC[C@@H](O)C(O)=O Amb22169412 [0,0,0,0,1,0|2,0,0]=3 2834 B6R0.3 NC[C@@H](S)C(N)=O Amb25106293 [0,0,0,0,1,0|3,0,0]=4 2835 B6R0.3 NC[C@H](N)C(N)=O Amb24470655 [0,0,0,0,1,0|3,0,0]=4 2836 B6R0.3 NOC(F)C(O)=O Amb24446310 [0,0,0,0,1,0|3,0,0]=4 2837 B6R0.3 NOC(O)C(O)=O Amb24735537 [0,0,0,0,1,0|3,0,0]=4 2838 B6R0.3 N[13CH2][13C@H]([13C](=O)O)F Amb17608076 [0,0,0,0,1,0|2,0,0]=3 2839 B6R0.3 N[13CH2][13CH]([13C](=O)O)F Amb17614381 [0,0,0,0,1,0|2,0,0]=3 2840 B6R0.3 N[14CH]([14CH2]O)[14C](O)=O Amb22362940 [0,0,0,0,1,0|1,0,0]=2 2841 B6R0.3 N[C@@H](CCl)C(O)=O Amb22232860 [0,0,0,0,1,0|2,0,0]=3 2842 B6R0.3 N[C@@H](CI)C(O)=O Amb25767583 [0,0,0,0,1,0|2,0,0]=3 2843 B6R0.3 N[C@@H](CO)C(O)=O Amb22351170 [0,0,0,0,1,0|1,0,0]=2 2844 B6R0.3 N[C@@H](CS)C(=O)Cl Amb24562196 [0,0,0,0,1,0|2,1,0]=4 2845 B6R0.3 N[C@@H](CS)C(N)=O Amb23437751 [0,0,0,0,1,0|2,1,0]=4 2846 B6R0.3 N[C@@H](CS)[13C](O)=O Amb22350380 [0,0,0,0,1,0|1,1,0]=3 2847 B6R0.3 N[C@H](C(=O)O)CN Amb16183820 [0,0,0,0,1,0|2,0,0]=3 2848 B6R0.3 N[C@H](CF)C(O)=O Amb24479910 [0,0,0,0,1,0|2,0,0]=3 2849 B6R0.3 N[C@H](CO)C(N)=O Amb22886957 [0,0,0,0,1,0|2,0,0]=3 2850 B6R0.3 N[C@H](CS)C(O)=O Amb17942912 [0,0,0,0,1,0|1,1,0]=3 2851 B6R0.3 N\C(=N/O)\C(O)=O Amb24670890 [0,0,0,0,1,0|2,0,1]=4 2852 B6R0.3 O=C(Cl)C(F)CCl Amb25324478 [0,0,0,0,1,0|3,0,0]=4 2853 B6R0.3 O=C(S)C(Cl)CCl Amb25112062 [0,0,0,0,1,0|2,1,0]=4 2854 B6R0.3 OC(=O)C(=O)CBr Amb10068671 [0,0,0,0,1,0|2,0,1]=4 2855 B6R0.3 OC(=O)C(=O)CCl Amb16233358 [0,0,0,0,1,0|2,0,1]=4 2856 B6R0.3 OC(=O)C(=O)CF Amb22008247 [0,0,0,0,1,0|2,0,1]=4 2857 B6R0.3 OC(=O)C(=O)CF Amb22274202 [0,0,0,0,1,0|2,0,1]=4 2858 B6R0.3 OC(=O)C(=O)CS Amb22360785 [0,0,0,0,1,0|1,1,1]=4 2859 B6R0.3 OC(=O)C(Br)CCl Amb24478864 [0,0,0,0,1,0|2,0,0]=3 2860 B6R0.3 OC(=O)C(CF)Br Amb10605519 [0,0,0,0,1,0|2,0,0]=3 2861 B6R0.3 OC(=O)C(Cl)=NO Amb25839923 [0,0,0,0,1,0|2,0,1]=4 2862 B6R0.3 OC(=O)C(Cl)C=O Amb24480969 [0,0,0,0,1,0|1,0,2]=4 2863 B6R0.3 OC(=O)C(Cl)CBr Amb25227429 [0,0,0,0,1,0|2,0,0]=3 2864 B6R0.3 OC(=O)C(Cl)CCl Amb22228245 [0,0,0,0,1,0|2,0,0]=3 2865 B6R0.3 OC(=O)C(Cl)CF Amb24669144 [0,0,0,0,1,0|2,0,0]=3 2866 B6R0.3 OC(=O)C(Cl)CS Amb18643661 [0,0,0,0,1,0|1,1,0]=3 2867 B6R0.3 OC(=O)C(F)C=O Amb22055301 [0,0,0,0,1,0|1,0,2]=4 2868 B6R0.3 OC(=O)C(F)CF Amb24746801 [0,0,0,0,1,0|2,0,0]=3 2869 B6R0.3 OC(=O)C(S)=NO Amb24479775 [0,0,0,0,1,0|2,0,1]=4 2870 B6R0.3 OC(=O)C(S)CS Amb18643295 [0,0,0,0,1,0|1,1,0]=3 2871 B6R0.3 OC(=O)[C@H](Cl)CCl Amb25141566 [0,0,0,0,1,0|2,0,0]=3 2872 B6R0.3 OC(=O)\C(\Cl)=C/O Amb24479774 [0,0,0,0,1,0|1,0,2]=4 2873 B6R0.3 OC(C=O)C(O)=O Amb18640325 [0,0,0,0,1,0|1,0,2]=4 2874 B6R0.3 OC(CBr)C(O)=O Amb24061932 [0,0,0,0,1,0|2,0,0]=3 2875 B6R0.3 OC(CCl)P(O)=O Amb25069434 [0,0,0,0,1,0|3,0,0]=4 2876 B6R0.3 OC(CO)C(O)Cl Amb25210424 [0,0,0,0,1,0|2,0,1]=4 2877 B6R0.3 OC(CS)C(O)=O Amb18642053 [0,0,0,0,1,0|1,1,0]=3 2878 B6R0.3 OC(O)[C@@H](O)CO Amb24480839 [0,0,0,0,1,0|1,0,2]=4 2879 B6R0.3 OC(O)[C@H](O)CO Amb25317667 [0,0,0,0,1,0|1,0,2]=4 2880 B6R0.3 OCC(=C(Cl)Cl)C Amb17593562 [0,0,0,0,1,0|2,0,1]=4 2881 B6R0.3 OCC(Br)C(O)=O Amb18126327 [0,0,0,0,1,0|1,0,0]=2 2882 B6R0.3 OCC(C(=O)O)F Amb17593117 [0,0,0,0,1,0|1,0,0]=2 2883 B6R0.3 OCC(C(=O)O)O Amb17593103 [0,0,0,0,1,0|1,0,0]=2 2884 B6R0.3 OCC(C(O)C)N Amb17593100 [0,0,0,0,1,0|2,0,1]=4 2885 B6R0.3 OCC(Cl)C(O)=O Amb18124304 [0,0,0,0,1,0|1,0,0]=2 2886 B6R0.3 OC[C@@H](C(=O)O)Br Amb10601700 [0,0,0,0,1,0|1,0,0]=2 2887 B6R0.3 OC[C@@H](C(=O)O)C Amb10844567 [0,0,0,0,1,0|0,0,0]=1 2888 B6R0.3 OC[C@@H](C(C)C)C Amb17613247 [0,0,0,0,1,0|2,0,1]=4 2889 B6R0.3 OC[C@H](C(=O)O)C Amb10844554 [0,0,0,0,1,0|0,0,0]=1 2890 B6R0.3 OC[C@H](O)C(O)=O Amb22226732 [0,0,0,0,1,0|1,0,0]=2 2891 B6R0.3 ONC(O)C(O)=O Amb25832155 [0,0,0,0,1,0|2,0,0]=3 2892 B6R0.3 O[13C](=O)C(=O)CBr Amb22363329 [0,0,0,0,1,0|2,0,1]=4 2893 B6R0.3 O[C@@H](CCl)C(O)=O Amb22225325 [0,0,0,0,1,0|2,0,0]=3 2894 B6R0.3 O[C@@H](CF)C(O)=O Amb24117272 [0,0,0,0,1,0|2,0,0]=3 2895 B6R0.3 O[C@@H](CS)C(O)=O Amb24428282 [0,0,0,0,1,0|1,1,0]=3 2896 B6R0.3 O[C@H](CCl)C(O)=O Amb22388611 [0,0,0,0,1,0|2,0,0]=3 2897 B6R0.3 O\C(=N\O)\C(O)=O Amb24462565 [0,0,0,0,1,0|2,0,1]=4 2898 B6R0.3 [13CH3][13CH2][13CH](O)[13C](O)=O Amb22350316 [0,0,0,0,1,0|2,0,0]=3 2899 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](O)=O Amb22354011 [0,0,0,0,1,0|1,1,0]=3 2900 B6R0.3 [15NH2][C@@H](CO)C(O)=O Amb22353589 [0,0,0,0,1,0|1,0,0]=2 2901 B6R0.3 [O-]C(=O)C(=O)CO Amb22360656 [0,0,0,0,1,0|1,0,2]=4 2902 B6R0.3 [O-]C(=O)C(O)CO Amb22045196 [0,0,0,0,1,0|1,0,1]=3 2903 B6R0.3 [O-]C(=O)[C@@H](O)CO Amb22799769 [0,0,0,0,1,0|1,0,1]=3 2904 B6R0.3 [O-]C(=O)[C@H](C[S-])N Amb17621353 [0,0,0,0,1,0|1,1,1]=4 2905 B6R0.3 [O-][N+](=O)C(Br)CO Amb24479795 [0,0,0,0,1,0|2,0,1]=4 2906 B6R0.3 [O-][N+](=O)C(CO)C Amb17600148 [0,0,0,0,1,0|1,0,1]=3 2907 B6R0.3 [O-][N+](=O)N(CO)C Amb17618398 [0,0,0,0,1,0|2,0,1]=4 2908 B8R0.9 C#CC(N)CCC(O)=O Amb22352566 [0,0,0,0,0,1|2,0,1]=4 2909 B8R0.9 C=CC(N)CCC(O)=O Amb22056347 [0,0,0,0,0,1|2,0,1]=4 2910 B8R0.9 C=CC(O)CCC(O)=O Amb25785193 [0,0,0,0,0,1|2,0,1]=4 2911 B8R0.9 C=C[C@H](N)CCC(O)=O Amb25694354 [0,0,0,0,0,1|2,0,1]=4 2912 B8R0.9 CC(=C)CCC(N)CO Amb25775333 [0,0,0,0,0,1|3,0,0]=4 2913 B8R0.9 CC(=C)CC[C@@H](O)CO Amb25099425 [0,0,0,0,0,1|3,0,0]=4 2914 B8R0.9 CC(=C)CC[C@H](O)CO Amb24732167 [0,0,0,0,0,1|3,0,0]=4 2915 B8R0.9 CC(=CCC(O)=O)C#N Amb25175102 [0,0,0,0,0,1|1,0,2]=4 2916 B8R0.9 CC(=O)CCC(Br)CCl Amb24480346 [0,0,0,0,0,1|3,0,0]=4 2917 B8R0.9 CC(=O)CCC(Cl)CO Amb25274671 [0,0,0,0,0,1|2,0,0]=3 2918 B8R0.9 CC(=O)CCC(F)CBr Amb25201516 [0,0,0,0,0,1|3,0,0]=4 2919 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,0,0,0,0,1|2,0,0]=3 2920 B8R0.9 CC(=O)CCC(N)CO Amb25257834 [0,0,0,0,0,1|2,0,0]=3 2921 B8R0.9 CC(=O)CCC(O)CCl Amb25118823 [0,0,0,0,0,1|3,0,0]=4 2922 B8R0.9 CC(=O)NCC(F)CBr Amb24676009 [0,0,0,0,0,1|3,0,0]=4 2923 B8R0.9 CC(=O)NCC(N)CO Amb25276356 [0,0,0,0,0,1|2,0,0]=3 2924 B8R0.9 CC(=O)NCC(O)CCl Amb22235217 [0,0,0,0,0,1|3,0,0]=4 2925 B8R0.9 CC(=O)NCC(O)CN Amb25139837 [0,0,0,0,0,1|3,0,0]=4 2926 B8R0.9 CC(=O)NCC(O)CO Amb24359036 [0,0,0,0,0,1|2,0,0]=3 2927 B8R0.9 CC(=O)NC[C@@H](O)CCl Amb22746506 [0,0,0,0,0,1|3,0,0]=4 2928 B8R0.9 CC(=O)NC[C@H](O)CCl Amb25760218 [0,0,0,0,0,1|3,0,0]=4 2929 B8R0.9 CC(=O)OCC(Br)CCl Amb24713634 [0,0,0,0,0,1|3,0,0]=4 2930 B8R0.9 CC(=O)OCC(CCl)O Amb17593815 [0,0,0,0,0,1|3,0,0]=4 2931 B8R0.9 CC(=O)OCC(Cl)CBr Amb25113223 [0,0,0,0,0,1|3,0,0]=4 2932 B8R0.9 CC(=O)OCC(Cl)CCl Amb24415406 [0,0,0,0,0,1|3,0,0]=4 2933 B8R0.9 CC(=O)OCC(F)CBr Amb25275153 [0,0,0,0,0,1|3,0,0]=4 2934 B8R0.9 CC(=O)OCC(O)CBr Amb24443015 [0,0,0,0,0,1|3,0,0]=4 2935 B8R0.9 CC(=O)OCC(O)CF Amb24386984 [0,0,0,0,0,1|3,0,0]=4 2936 B8R0.9 CC(=O)OCC(O)CO Amb22043222 [0,0,0,0,0,1|2,0,0]=3 2937 B8R0.9 CC(=O)OC[C@@H](Cl)CCl Amb24470042 [0,0,0,0,0,1|3,0,0]=4 2938 B8R0.9 CC(=O)OC[C@@H](O)CBr Amb25232647 [0,0,0,0,0,1|3,0,0]=4 2939 B8R0.9 CC(=O)OC[C@H](Cl)CCl Amb25300289 [0,0,0,0,0,1|3,0,0]=4 2940 B8R0.9 CC(=O)SCC(Cl)CCl Amb24572286 [0,0,0,0,0,1|3,0,0]=4 2941 B8R0.9 CC(=O)SCC(N)CO Amb25245383 [0,0,0,0,0,1|2,0,0]=3 2942 B8R0.9 CC(=O)SCC(O)CO Amb25105864 [0,0,0,0,0,1|2,0,0]=3 2943 B8R0.9 CC(=O)\C=C/[C@H](O)CO Amb25735081 [0,0,0,0,0,1|2,0,1]=4 2944 B8R0.9 CC(=O)\C=C\N(C)CO Amb24582612 [0,0,0,0,0,1|2,0,1]=4 2945 B8R0.9 CC(Br)=CCC(O)CO Amb25846160 [0,0,0,0,0,1|3,0,0]=4 2946 B8R0.9 CC(C#C)OCC(O)=O Amb25092433 [0,0,0,0,0,1|1,0,1]=3 2947 B8R0.9 CC(C#N)NCC(N)=O Amb18981185 [0,0,0,0,0,1|2,0,1]=4 2948 B8R0.9 CC(C#N)NCC(O)=O Amb18293465 [0,0,0,0,0,1|1,0,1]=3 2949 B8R0.9 CC(C#N)SCC(C)=O Amb25134370 [0,0,0,0,0,1|2,0,1]=4 2950 B8R0.9 CC(C#N)SCC(N)=O Amb25691103 [0,0,0,0,0,1|2,0,1]=4 2951 B8R0.9 CC(C#N)SCC(O)=O Amb18293809 [0,0,0,0,0,1|1,0,1]=3 2952 B8R0.9 CC(C)=CCC(N)CO Amb25320777 [0,0,0,0,0,1|3,0,0]=4 2953 B8R0.9 CC(C)CCC(C)CO Amb24478637 [0,0,0,0,0,1|2,0,1]=4 2954 B8R0.9 CC(C)CC[C@H](C)CO Amb25781634 [0,0,0,0,0,1|2,0,1]=4 2955 B8R0.9 CC(C)CN[C@@H](C)CO Amb24673564 [0,0,0,0,0,1|2,0,1]=4 2956 B8R0.9 CC(C)COC(C)CO Amb24395755 [0,0,0,0,0,1|2,0,1]=4 2957 B8R0.9 CC(C)SCC(C)CO Amb24739480 [0,0,0,0,0,1|2,0,1]=4 2958 B8R0.9 CC(C=C)NCC(N)=O Amb24592190 [0,0,0,0,0,1|2,0,1]=4 2959 B8R0.9 CC(C=C)NCC(O)=O Amb18310594 [0,0,0,0,0,1|1,0,1]=3 2960 B8R0.9 CC(C=C)OCC(O)=O Amb18642764 [0,0,0,0,0,1|1,0,1]=3 2961 B8R0.9 CC(C=C)SCC(O)=O Amb18311113 [0,0,0,0,0,1|1,0,1]=3 2962 B8R0.9 CC(CBr)CCC(O)=O Amb25806134 [0,0,0,0,0,1|1,0,0]=2 2963 B8R0.9 CC(CBr)COC(C)=O Amb22386917 [0,0,0,0,0,1|2,0,0]=3 2964 B8R0.9 CC(CC)=C=CC(O)=O Amb25378500 [0,0,0,0,0,1|1,0,2]=4 2965 B8R0.9 CC(CCC(C)=O)=NO Amb24760824 [0,0,0,0,0,1|2,0,1]=4 2966 B8R0.9 CC(CCC(C)=O)C#N Amb18642304 [0,0,0,0,0,1|2,0,1]=4 2967 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [0,0,0,0,0,1|1,0,2]=4 2968 B8R0.9 CC(CCC(N)=O)C#N Amb25146074 [0,0,0,0,0,1|2,0,1]=4 2969 B8R0.9 CC(CCC(N)=O)CN Amb24745140 [0,0,0,0,0,1|2,0,0]=3 2970 B8R0.9 CC(CCC(O)=O)=NN Amb24579336 [0,0,0,0,0,1|2,0,1]=4 2971 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [0,0,0,0,0,1|1,0,1]=3 2972 B8R0.9 CC(CCC(O)=O)C#N Amb18642500 [0,0,0,0,0,1|1,0,1]=3 2973 B8R0.9 CC(CCC(O)=O)C=C Amb18642631 [0,0,0,0,0,1|1,0,1]=3 2974 B8R0.9 CC(CCl)CCC(C)=C Amb25068704 [0,0,0,0,0,1|3,0,0]=4 2975 B8R0.9 CC(CCl)OCC(C)=O Amb25118198 [0,0,0,0,0,1|2,0,0]=3 2976 B8R0.9 CC(CCl)OCC(N)=O Amb25789772 [0,0,0,0,0,1|2,0,0]=3 2977 B8R0.9 CC(CN)CCC(O)=O Amb22059189 [0,0,0,0,0,1|1,0,0]=2 2978 B8R0.9 CC(CN)CNC(C)=O Amb18300590 [0,0,0,0,0,1|2,0,0]=3 2979 B8R0.9 CC(CN)NCC(=C)Cl Amb24732228 [0,0,0,0,0,1|3,0,0]=4 2980 B8R0.9 CC(CN)NC[C@H](C)O Amb25044715 [0,0,0,0,0,1|2,0,1]=4 2981 B8R0.9 CC(CN)OCC(C)=C Amb18630505 [0,0,0,0,0,1|3,0,0]=4 2982 B8R0.9 CC(CN)OCC(C)=O Amb18110559 [0,0,0,0,0,1|2,0,0]=3 2983 B8R0.9 CC(CN)OCC(O)=O Amb18629591 [0,0,0,0,0,1|1,0,0]=2 2984 B8R0.9 CC(CN)SCC(=C)Br Amb24391885 [0,0,0,0,0,1|3,0,0]=4 2985 B8R0.9 CC(CN)SCC(=C)Cl Amb25276051 [0,0,0,0,0,1|3,0,0]=4 2986 B8R0.9 CC(CN)SCC(C)O Amb24478776 [0,0,0,0,0,1|2,0,1]=4 2987 B8R0.9 CC(CN)SCC(N)=O Amb24753382 [0,0,0,0,0,1|2,0,0]=3 2988 B8R0.9 CC(CNC(N)=O)CN Amb18994081 [0,0,0,0,0,1|2,0,0]=3 2989 B8R0.9 CC(CO)C=C=C(C)C Amb25762091 [0,0,0,0,0,1|2,0,1]=4 2990 B8R0.9 CC(CO)CCC(C)=C Amb24389869 [0,0,0,0,0,1|2,0,0]=3 2991 B8R0.9 CC(CO)CN=C(C)N Amb24349921 [0,0,0,0,0,1|2,0,0]=3 2992 B8R0.9 CC(CO)CNC(C)=O Amb25050315 [0,0,0,0,0,1|1,0,0]=2 2993 B8R0.9 CC(CO)CNC(N)=O Amb18832521 [0,0,0,0,0,1|1,0,0]=2 2994 B8R0.9 CC(CO)CSC(C)=O Amb24466300 [0,0,0,0,0,1|1,0,0]=2 2995 B8R0.9 CC(CO)NCC(=C)Br Amb18303323 [0,0,0,0,0,1|2,0,0]=3 2996 B8R0.9 CC(CO)NCC(=C)Cl Amb18303324 [0,0,0,0,0,1|2,0,0]=3 2997 B8R0.9 CC(CO)NCC(C)=C Amb25289088 [0,0,0,0,0,1|2,0,0]=3 2998 B8R0.9 CC(CO)NCC(F)F Amb25678283 [0,0,0,0,0,1|2,0,1]=4 2999 B8R0.9 CC(CO)NN=C(C)C Amb25262064 [0,0,0,0,0,1|3,0,0]=4 3000 B8R0.9 CC(CO)OCC(C)Cl Amb25059160 [0,0,0,0,0,1|2,0,1]=4 3001 B8R0.9 CC(CO)OCC(O)=O Amb25675017 [0,0,0,0,0,1|0,0,0]=1 3002 B8R0.9 CC(CO)SCC(=C)Br Amb25204830 [0,0,0,0,0,1|2,0,0]=3 3003 B8R0.9 CC(CO)SCC(C)=O Amb25195670 [0,0,0,0,0,1|1,0,0]=2 3004 B8R0.9 CC(CO)SCC(O)=O Amb18644427 [0,0,0,0,0,1|0,0,0]=1 3005 B8R0.9 CC(CO)SC[C@@H](C)N Amb24357934 [0,0,0,0,0,1|2,0,1]=4 3006 B8R0.9 CC(CO)SC[C@H](C)N Amb25696596 [0,0,0,0,0,1|2,0,1]=4 3007 B8R0.9 CC(COC(C)=O)C#N Amb24395253 [0,0,0,0,0,1|2,0,1]=4 3008 B8R0.9 CC(COC(C)=O)C=O Amb18642789 [0,0,0,0,0,1|1,0,2]=4 3009 B8R0.9 CC(COC(C)=O)NN Amb24439584 [0,0,0,0,0,1|3,0,0]=4 3010 B8R0.9 CC(O)CNC(C)CO Amb19005093 [0,0,0,0,0,1|1,0,1]=3 3011 B8R0.9 CC(O)COC(C)CO Amb22167327 [0,0,0,0,0,1|1,0,1]=3 3012 B8R0.9 CC(O)CO[C@H](C)CO Amb25343738 [0,0,0,0,0,1|1,0,1]=3 3013 B8R0.9 CC(ON)CNC(=O)C Amb17138377 [0,0,0,0,0,1|3,0,0]=4 3014 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,0,0,0,0,1|2,0,1]=4 3015 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,0,0,0,0,1|2,0,1]=4 3016 B8R0.9 CCC(=O)OCC(O)=O Amb18642872 [0,0,0,0,0,1|2,0,1]=4 3017 B8R0.9 CCC(=S)SCC(O)=O Amb24480232 [0,0,0,0,0,1|2,0,1]=4 3018 B8R0.9 CCC(Br)CCC(=O)Cl Amb25352038 [0,0,0,0,0,1|3,0,0]=4 3019 B8R0.9 CCC(Br)CCC(C)=O Amb24480025 [0,0,0,0,0,1|3,0,0]=4 3020 B8R0.9 CCC(Br)\C=C\C(O)=O Amb18651360 [0,0,0,0,0,1|2,0,1]=4 3021 B8R0.9 CCC(C)=CCC(C)=O Amb24736154 [0,0,0,0,0,1|2,0,1]=4 3022 B8R0.9 CCC(C)C=CC(C)=O Amb24062970 [0,0,0,0,0,1|2,0,1]=4 3023 B8R0.9 CCC(C)CCB(O)O Amb25063737 [0,0,0,0,0,1|2,0,1]=4 3024 B8R0.9 CCC(C)CCC(C)=O Amb22229980 [0,0,0,0,0,1|2,0,0]=3 3025 B8R0.9 CCC(C)CCC(C)O Amb22732215 [0,0,0,0,0,1|2,0,1]=4 3026 B8R0.9 CCC(C)CCC(O)=O Amb22352932 [0,0,0,0,0,1|1,0,0]=2 3027 B8R0.9 CCC(C)CNC(C)=N Amb25770210 [0,0,0,0,0,1|3,0,0]=4 3028 B8R0.9 CCC(C)CNC(N)=N Amb25810483 [0,0,0,0,0,1|3,0,0]=4 3029 B8R0.9 CCC(C)CNC(N)=S Amb24436213 [0,0,0,0,0,1|2,1,0]=4 3030 B8R0.9 CCC(C)COC(=O)Cl Amb20246588 [0,0,0,0,0,1|2,0,0]=3 3031 B8R0.9 CCC(C)COC(C)=O Amb20621577 [0,0,0,0,0,1|2,0,0]=3 3032 B8R0.9 CCC(C)COC(N)=O Amb25188918 [0,0,0,0,0,1|2,0,0]=3 3033 B8R0.9 CCC(C)CSC(N)=N Amb25306741 [0,0,0,0,0,1|3,0,0]=4 3034 B8R0.9 CCC(C)NCC(=C)Br Amb19005214 [0,0,0,0,0,1|3,0,0]=4 3035 B8R0.9 CCC(C)NCC(=C)Cl Amb19004829 [0,0,0,0,0,1|3,0,0]=4 3036 B8R0.9 CCC(C)NCC(C)=O Amb25062894 [0,0,0,0,0,1|2,0,0]=3 3037 B8R0.9 CCC(C)OCC(=C)Br Amb24740504 [0,0,0,0,0,1|3,0,0]=4 3038 B8R0.9 CCC(C)OCC(N)=N Amb24501524 [0,0,0,0,0,1|3,0,0]=4 3039 B8R0.9 CCC(C)OCC(O)=O Amb18307944 [0,0,0,0,0,1|1,0,0]=2 3040 B8R0.9 CCC(C)ONC(C)=O Amb24360136 [0,0,0,0,0,1|3,0,0]=4 3041 B8R0.9 CCC(C)ONC(N)=O Amb24618660 [0,0,0,0,0,1|3,0,0]=4 3042 B8R0.9 CCC(C)SCC(=C)Br Amb25696158 [0,0,0,0,0,1|3,0,0]=4 3043 B8R0.9 CCC(C)SCC(C)O Amb24738776 [0,0,0,0,0,1|2,0,1]=4 3044 B8R0.9 CCC(C)SC[C@@H](C)O Amb25283171 [0,0,0,0,0,1|2,0,1]=4 3045 B8R0.9 CCC(C)\C=C\C(O)=O Amb18988312 [0,0,0,0,0,1|1,0,1]=3 3046 B8R0.9 CCC(Cl)=CCC(O)=O Amb24580821 [0,0,0,0,0,1|2,0,1]=4 3047 B8R0.9 CCC(Cl)CCC(=O)Cl Amb24524189 [0,0,0,0,0,1|3,0,0]=4 3048 B8R0.9 CCC(Cl)CNC(C)=O Amb25292231 [0,0,0,0,0,1|3,0,0]=4 3049 B8R0.9 CCC(Cl)COC(N)=O Amb22274267 [0,0,0,0,0,1|3,0,0]=4 3050 B8R0.9 CCC(Cl)\C=C\C(O)=O Amb24714953 [0,0,0,0,0,1|2,0,1]=4 3051 B8R0.9 CCC(F)COC(C)=O Amb24361428 [0,0,0,0,0,1|3,0,0]=4 3052 B8R0.9 CCC(N)CCC(O)=O Amb21961489 [0,0,0,0,0,1|2,0,0]=3 3053 B8R0.9 CCC(N)CNC(C)=O Amb25256213 [0,0,0,0,0,1|3,0,0]=4 3054 B8R0.9 CCC(NCC(=C)C)C Amb17308623 [0,0,0,0,0,1|3,0,0]=4 3055 B8R0.9 CCC(O)CCC(C)=O Amb24586292 [0,0,0,0,0,1|3,0,0]=4 3056 B8R0.9 CCC(O)CNC(C)=O Amb24715716 [0,0,0,0,0,1|3,0,0]=4 3057 B8R0.9 CCC(O)NCC(O)=O Amb24445948 [0,0,0,0,0,1|2,0,0]=3 3058 B8R0.9 CCC(O)\C=C\C(O)=O Amb25328660 [0,0,0,0,0,1|2,0,1]=4 3059 B8R0.9 CCC(S)\C=C\C(O)=O Amb18124688 [0,0,0,0,0,1|2,0,1]=4 3060 B8R0.9 CC[C@@H](C)CCC(C)=O Amb24749043 [0,0,0,0,0,1|2,0,0]=3 3061 B8R0.9 CC[C@@H](C)CC[C@@H](C)O Amb22896942 [0,0,0,0,0,1|2,0,1]=4 3062 B8R0.9 CC[C@@H](C)CC[C@H](C)O Amb22896941 [0,0,0,0,0,1|2,0,1]=4 3063 B8R0.9 CC[C@@H](C)COC(N)=O Amb24586795 [0,0,0,0,0,1|2,0,0]=3 3064 B8R0.9 CC[C@@H](C)\C=C\C(O)=O Amb24117189 [0,0,0,0,0,1|1,0,1]=3 3065 B8R0.9 CC[C@@H](N)CCC(O)=O Amb25065764 [0,0,0,0,0,1|2,0,0]=3 3066 B8R0.9 CC[C@@H](O)C#CC(O)=O Amb25785824 [0,0,0,0,0,1|2,0,1]=4 3067 B8R0.9 CC[C@H](C)CC[C@@H](C)O Amb25055436 [0,0,0,0,0,1|2,0,1]=4 3068 B8R0.9 CC[C@H](C)COC(N)=O Amb24333141 [0,0,0,0,0,1|2,0,0]=3 3069 B8R0.9 CC[C@H](C)NCC(O)=O Amb25076151 [0,0,0,0,0,1|1,0,0]=2 3070 B8R0.9 CC[C@H](C)OCC(O)=O Amb25320561 [0,0,0,0,0,1|1,0,0]=2 3071 B8R0.9 CC[C@H](N)CCC(O)=O Amb25835678 [0,0,0,0,0,1|2,0,0]=3 3072 B8R0.9 CC[C@H](O)CCC(N)=O Amb25785287 [0,0,0,0,0,1|3,0,0]=4 3073 B8R0.9 CC[S+](C)CCC(O)=O Amb25794477 [0,0,0,0,0,1|2,0,0]=3 3074 B8R0.9 CC\C(\C)=C/CC(C)=O Amb24333826 [0,0,0,0,0,1|2,0,1]=4 3075 B8R0.9 CC\C(\C)=C\CC(C)=O Amb25773428 [0,0,0,0,0,1|2,0,1]=4 3076 B8R0.9 CN(CCC(O)=O)C=O Amb18984989 [0,0,0,0,0,1|1,0,2]=4 3077 B8R0.9 CN(CCC(O)=O)N=O Amb22729196 [0,0,0,0,0,1|2,0,1]=4 3078 B8R0.9 CNC(C)CCC(O)=O Amb25339418 [0,0,0,0,0,1|2,0,0]=3 3079 B8R0.9 CNC(C)CNC(N)=O Amb24405703 [0,0,0,0,0,1|3,0,0]=4 3080 B8R0.9 COC(C)CCC(O)=O Amb24271104 [0,0,0,0,0,1|2,0,0]=3 3081 B8R0.9 COC(C)CNC(C)=O Amb24574997 [0,0,0,0,0,1|3,0,0]=4 3082 B8R0.9 COC(C)COC(C)=O Amb22734341 [0,0,0,0,0,1|3,0,0]=4 3083 B8R0.9 COC(C)OCC(C)=O Amb24378350 [0,0,0,0,0,1|3,0,0]=4 3084 B8R0.9 COC(C)OCC(O)=O Amb24417299 [0,0,0,0,0,1|2,0,0]=3 3085 B8R0.9 CO[C@H](C)CCC(O)=O Amb24383667 [0,0,0,0,0,1|2,0,0]=3 3086 B8R0.9 CSC(C)CCC(O)=O Amb22059071 [0,0,0,0,0,1|2,0,0]=3 3087 B8R0.9 CSC(C)CNC(C)=O Amb25744770 [0,0,0,0,0,1|3,0,0]=4 3088 B8R0.9 CSC(C)CNC(N)=O Amb25688045 [0,0,0,0,0,1|3,0,0]=4 3089 B8R0.9 C[C@@H](CBr)CCC(O)=O Amb24458738 [0,0,0,0,0,1|1,0,0]=2 3090 B8R0.9 C[C@@H](CBr)COC(C)=O Amb24373843 [0,0,0,0,0,1|2,0,0]=3 3091 B8R0.9 C[C@@H](CC)CCC(=O)O Amb16231507 [0,0,0,0,0,1|1,0,0]=2 3092 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [0,0,0,0,0,1|1,0,2]=4 3093 B8R0.9 C[C@@H](CCC(O)=O)C=C Amb25859365 [0,0,0,0,0,1|1,0,1]=3 3094 B8R0.9 C[C@@H](CO)NCC(C)=O Amb24693447 [0,0,0,0,0,1|1,0,0]=2 3095 B8R0.9 C[C@@H](O)CC[C@H](C)CO Amb25271414 [0,0,0,0,0,1|1,0,1]=3 3096 B8R0.9 C[C@@H](O)CC[C@H](O)CO Amb25346392 [0,0,0,0,0,1|2,0,1]=4 3097 B8R0.9 C[C@@H](O)CN[C@@H](C)CO Amb25112017 [0,0,0,0,0,1|1,0,1]=3 3098 B8R0.9 C[C@H](CCC(O)=O)C#C Amb25250566 [0,0,0,0,0,1|1,0,1]=3 3099 B8R0.9 C[C@H](CO)CC=C(C)C Amb25044656 [0,0,0,0,0,1|2,0,0]=3 3100 B8R0.9 C[C@H](CO)CNC(N)=O Amb25715034 [0,0,0,0,0,1|1,0,0]=2 3101 B8R0.9 C[C@H](CO)COC(C)=O Amb25846526 [0,0,0,0,0,1|1,0,0]=2 3102 B8R0.9 C[C@H](CO)ON=C(C)C Amb25832671 [0,0,0,0,0,1|3,0,0]=4 3103 B8R0.9 C[C@H](CO)SCC(C)=C Amb25052251 [0,0,0,0,0,1|2,0,0]=3 3104 B8R0.9 C[C@H](O)CC[C@H](O)CO Amb24363660 [0,0,0,0,0,1|2,0,1]=4 3105 B8R0.9 C[C@H](O)CNC(C)CO Amb25700081 [0,0,0,0,0,1|1,0,1]=3 3106 B8R0.9 C[C@H](O)CSC(C)CO Amb25032273 [0,0,0,0,0,1|1,0,1]=3 3107 B8R0.9 C\C(\C=C)=C/CC(O)=O Amb25305754 [0,0,0,0,0,1|1,0,2]=4 3108 B8R0.9 C\C(\C=CC(O)=O)=N\O Amb24640839 [0,0,0,0,0,1|1,0,2]=4 3109 B8R0.9 C\C(\CC)=C/CC(O)=O Amb22011800 [0,0,0,0,0,1|1,0,1]=3 3110 B8R0.9 C\C(\CCC(C)=O)=N/O Amb24422445 [0,0,0,0,0,1|2,0,1]=4 3111 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [0,0,0,0,0,1|1,0,2]=4 3112 B8R0.9 C\C(\CCC(O)=O)=N\N Amb24382718 [0,0,0,0,0,1|2,0,1]=4 3113 B8R0.9 C\C(\CO)=N/NC(N)=O Amb25131193 [0,0,0,0,0,1|2,0,1]=4 3114 B8R0.9 NC(=N)NCC(O)CO Amb25146076 [0,0,0,0,0,1|3,0,0]=4 3115 B8R0.9 NC(=O)COC(=O)CO Amb25739390 [0,0,0,0,0,1|2,0,1]=4 3116 B8R0.9 NC(=O)NCC(O)CO Amb25146091 [0,0,0,0,0,1|2,0,0]=3 3117 B8R0.9 NC(=O)NCC(S)CS Amb25337646 [0,0,0,0,0,1|2,1,0]=4 3118 B8R0.9 NC(=O)OCC(Br)CBr Amb22732242 [0,0,0,0,0,1|3,0,0]=4 3119 B8R0.9 NC(=O)OCC(O)CO Amb24683881 [0,0,0,0,0,1|2,0,0]=3 3120 B8R0.9 NC(C=C)CCC(=O)O Amb10843623 [0,0,0,0,0,1|2,0,1]=4 3121 B8R0.9 NC(CCC(O)=O)CO Amb18642916 [0,0,0,0,0,1|1,0,0]=2 3122 B8R0.9 NC(CF)CCC(N)=O Amb24599972 [0,0,0,0,0,1|3,0,0]=4 3123 B8R0.9 NC(CF)CCC(O)=O Amb19148378 [0,0,0,0,0,1|2,0,0]=3 3124 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [0,0,0,0,0,1|2,0,1]=4 3125 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [0,0,0,0,0,1|2,0,1]=4 3126 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,0,0,0,0,1|2,0,1]=4 3127 B8R0.9 NCC(=O)OCC(O)=O Amb25710415 [0,0,0,0,0,1|2,0,1]=4 3128 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [0,0,0,0,0,1|2,0,1]=4 3129 B8R0.9 NCC(=S)NCC(O)=O Amb25077168 [0,0,0,0,0,1|2,0,1]=4 3130 B8R0.9 NCC(N)CCC(O)=O Amb19328773 [0,0,0,0,0,1|2,0,0]=3 3131 B8R0.9 NCC(O)CCC(N)=O Amb24340194 [0,0,0,0,0,1|3,0,0]=4 3132 B8R0.9 NCC(O)CCC(O)=O Amb18124376 [0,0,0,0,0,1|2,0,0]=3 3133 B8R0.9 NCC(O)CCP(O)=O Amb24760103 [0,0,0,0,0,1|3,0,0]=4 3134 B8R0.9 NC[C@H](O)CCC(O)=O Amb24383262 [0,0,0,0,0,1|2,0,0]=3 3135 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [0,0,0,0,0,1|2,0,1]=4 3136 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [0,0,0,0,0,1|1,0,2]=4 3137 B8R0.9 N[C@@H](CCC(O)=O)CO Amb24685421 [0,0,0,0,0,1|1,0,0]=2 3138 B8R0.9 N[C@H](C=C)CCC(=O)O Amb17621248 [0,0,0,0,0,1|2,0,1]=4 3139 B8R0.9 N[C@H](CCC(O)=O)CO Amb25352213 [0,0,0,0,0,1|1,0,0]=2 3140 B8R0.9 N[C@H](CF)CCC(O)=O Amb25339395 [0,0,0,0,0,1|2,0,0]=3 3141 B8R0.9 N[C@H](CO)CCC(N)=O Amb24368577 [0,0,0,0,0,1|2,0,0]=3 3142 B8R0.9 N[C@H](CS)CCC(O)=O Amb25348403 [0,0,0,0,0,1|1,1,0]=3 3143 B8R0.9 O=NN(CCC(=O)O)C Amb17618592 [0,0,0,0,0,1|2,0,1]=4 3144 B8R0.9 OC(=O)CCC(=O)CBr Amb18652012 [0,0,0,0,0,1|2,0,1]=4 3145 B8R0.9 OC(=O)CCC(=O)CCl Amb25736440 [0,0,0,0,0,1|2,0,1]=4 3146 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [0,0,0,0,0,1|1,0,1]=3 3147 B8R0.9 OC(=O)CCC(Br)CBr Amb24575822 [0,0,0,0,0,1|2,0,0]=3 3148 B8R0.9 OC(=O)CCC([NH3+])C=C Amb10845648 [0,0,0,0,0,1|2,0,1]=4 3149 B8R0.9 OC(=O)CNC(=O)CBr Amb18130258 [0,0,0,0,0,1|2,0,1]=4 3150 B8R0.9 OC(=O)CNC(=O)CCl Amb1144436 [0,0,0,0,0,1|2,0,1]=4 3151 B8R0.9 OC(=O)CNC(=O)CO Amb18124375 [0,0,0,0,0,1|1,0,1]=3 3152 B8R0.9 OC(=O)CNC(=O)NO Amb25228420 [0,0,0,0,0,1|2,0,1]=4 3153 B8R0.9 OC(=O)COC(=O)CCl Amb18644547 [0,0,0,0,0,1|2,0,1]=4 3154 B8R0.9 OC(=O)\C=C\C(=O)CO Amb18642735 [0,0,0,0,0,1|1,0,2]=4 3155 B8R0.9 OC(CBr)\C=C\C(O)=O Amb18647817 [0,0,0,0,0,1|2,0,1]=4 3156 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [0,0,0,0,0,1|2,0,1]=4 3157 B8R0.9 OC(CCl)COS(O)=O Amb24726370 [0,0,0,0,0,1|3,0,0]=4 3158 B8R0.9 OC(CS)COP(O)=O Amb24523020 [0,0,0,0,0,1|2,1,0]=4 3159 B8R0.9 OC(O)COC(O)CO Amb25283118 [0,0,0,0,0,1|1,0,2]=4 3160 B8R0.9 OCC(O)CCC(O)=O Amb18124400 [0,0,0,0,0,1|1,0,0]=2 3161 B8R0.9 OCC(O)COP(O)=O Amb25071391 [0,0,0,0,0,1|2,0,0]=3 3162 B8R0.9 OCC(O)\C=C\C(O)=O Amb18642875 [0,0,0,0,0,1|1,0,1]=3 3163 B8R0.9 OC[C@H](O)CCC(O)=O Amb24528896 [0,0,0,0,0,1|1,0,0]=2 3164 B8R0.9 [O-][N+](=O)CC[C@H](CO)C Amb13883660 [0,0,0,0,0,1|1,0,1]=3 3165 B8R0.9 [O-][N+](=O)OCC(O)CO Amb22732537 [0,0,0,0,0,1|2,0,1]=4 3166 B5R0.1 BC(=O)NCC Amb22343194 [2,0,0,0,0,0|2,0,0]=4 3167 B5R0.1 C=C(F)CCO Amb25747437 [2,0,0,0,0,0|2,0,0]=4 3168 B5R0.1 C=CCC(O)O Amb25144470 [2,0,0,0,0,0|2,0,0]=4 3169 B5R0.1 CC(=O)CC=O Amb17666764 [2,0,0,0,0,0|0,0,2]=4 3170 B5R0.1 CC(=O)CCBr Amb24078246 [2,0,0,0,0,0|2,0,0]=4 3171 B5R0.1 CC(=O)CCN Amb10067110 [2,0,0,0,0,0|2,0,0]=4 3172 B5R0.1 CC(=O)CCN Amb18632933 [2,0,0,0,0,0|2,0,0]=4 3173 B5R0.1 CC(Br)CC=O Amb25074611 [2,0,0,0,0,0|1,0,0]=3 3174 B5R0.1 CC(C)C#CO Amb22492599 [2,0,0,0,0,0|0,0,2]=4 3175 B5R0.1 CC(C)CCF Amb24117499 [2,0,0,0,0,0|1,0,1]=4 3176 B5R0.1 CC(C)CCN Amb22337707 [2,0,0,0,0,0|1,0,1]=4 3177 B5R0.1 CC(C)CNN Amb22886984 [2,0,0,0,0,0|2,0,0]=4 3178 B5R0.1 CC(C)CON Amb19889788 [2,0,0,0,0,0|2,0,0]=4 3179 B5R0.1 CC(C)C[13CH]=O Amb22353955 [2,0,0,0,0,0|0,0,0]=2 3180 B5R0.1 CC(C)C[Mg]Br Amb22336608 [2,0,0,0,0,0|2,0,0]=4 3181 B5R0.1 CC(C)C[Mg]Cl Amb22351464 [2,0,0,0,0,0|2,0,0]=4 3182 B5R0.1 CC(C)C[Zn]Br Amb22000395 [2,0,0,0,0,0|2,0,0]=4 3183 B5R0.1 CC(C)NCO Amb24384251 [2,0,0,0,0,0|1,0,1]=4 3184 B5R0.1 CC(C)OC=C Amb22230777 [2,0,0,0,0,0|2,0,0]=4 3185 B5R0.1 CC(C)OC=N Amb22337834 [2,0,0,0,0,0|2,0,0]=4 3186 B5R0.1 CC(C)OC=N Amb25248353 [2,0,0,0,0,0|2,0,0]=4 3187 B5R0.1 CC(C)ON=O Amb17938692 [2,0,0,0,0,0|2,0,0]=4 3188 B5R0.1 CC(C)O[PH2]=O Amb24599573 [2,0,0,0,0,0|2,0,0]=4 3189 B5R0.1 CC(C)SC=C Amb24599592 [2,0,0,0,0,0|2,0,0]=4 3190 B5R0.1 CC(C)\C=C/C Amb22731717 [2,0,0,0,0,0|1,0,1]=4 3191 B5R0.1 CC(C)\C=C\Br Amb25690202 [2,0,0,0,0,0|1,0,1]=4 3192 B5R0.1 CC(C)\C=C\Cl Amb25793515 [2,0,0,0,0,0|1,0,1]=4 3193 B5R0.1 CC(CC#N)C Amb1162737 [2,0,0,0,0,0|1,0,1]=4 3194 B5R0.1 CC(Cl)CC=O Amb18640602 [2,0,0,0,0,0|1,0,0]=3 3195 B5R0.1 CC(Cl)OC=O Amb25811235 [2,0,0,0,0,0|2,0,0]=4 3196 B5R0.1 CC(Cl)\C=C\O Amb22734803 [2,0,0,0,0,0|1,0,1]=4 3197 B5R0.1 CC(F)CCO Amb21951900 [2,0,0,0,0,0|1,0,1]=4 3198 B5R0.1 CC(N)CC=C Amb17673480 [2,0,0,0,0,0|2,0,0]=4 3199 B5R0.1 CC(N)CC=C Amb19515336 [2,0,0,0,0,0|2,0,0]=4 3200 B5R0.1 CC(N)CC=O Amb25292247 [2,0,0,0,0,0|1,0,0]=3 3201 B5R0.1 CC(O)C=C=O Amb25747435 [2,0,0,0,0,0|0,0,2]=4 3202 B5R0.1 CC(O)C=NO Amb24583649 [2,0,0,0,0,0|1,0,1]=4 3203 B5R0.1 CC(O)CCCl Amb24551052 [2,0,0,0,0,0|1,0,1]=4 3204 B5R0.1 CC(O)CCO Amb22227721 [2,0,0,0,0,0|0,0,1]=3 3205 B5R0.1 CC(O)CCO Amb22232248 [2,0,0,0,0,0|0,0,1]=3 3206 B5R0.1 CC(O)CCS Amb22359316 [2,0,0,0,0,0|0,1,1]=4 3207 B5R0.1 CC(O)CN=O Amb25746175 [2,0,0,0,0,0|1,0,0]=3 3208 B5R0.1 CC(O)CNO Amb24333693 [2,0,0,0,0,0|1,0,0]=3 3209 B5R0.1 CC(O)CON Amb21962618 [2,0,0,0,0,0|2,0,0]=4 3210 B5R0.1 CC(O)CON Amb22491794 [2,0,0,0,0,0|2,0,0]=4 3211 B5R0.1 CC(O)OC=C Amb25215838 [2,0,0,0,0,0|2,0,0]=4 3212 B5R0.1 CC(O)\C=C/Br Amb25809927 [2,0,0,0,0,0|1,0,1]=4 3213 B5R0.1 CC(O)\C=C/Cl Amb24635620 [2,0,0,0,0,0|1,0,1]=4 3214 B5R0.1 CC(O)\C=C/I Amb24373761 [2,0,0,0,0,0|1,0,1]=4 3215 B5R0.1 CC(O)\C=C\Br Amb24519445 [2,0,0,0,0,0|1,0,1]=4 3216 B5R0.1 CC(O)\C=C\Cl Amb25264104 [2,0,0,0,0,0|1,0,1]=4 3217 B5R0.1 CC(S)CC=O Amb18122380 [2,0,0,0,0,0|0,1,0]=3 3218 B5R0.1 CC(S)CCO Amb19148316 [2,0,0,0,0,0|0,1,1]=4 3219 B5R0.1 CC(S)NC=O Amb25835741 [2,0,0,0,0,0|1,1,0]=4 3220 B5R0.1 CC(\C=N\O)C Amb2455920 [2,0,0,0,0,0|1,0,1]=4 3221 B5R0.1 CCCB(O)O Amb2447105 [2,0,0,0,0,0|1,0,1]=4 3222 B5R0.1 CCCC(=C)Br Amb22583743 [2,0,0,0,0,0|2,0,0]=4 3223 B5R0.1 CCCC(=N)N Amb10610381 [2,0,0,0,0,0|2,0,0]=4 3224 B5R0.1 CCCC(=O)Br Amb22734023 [2,0,0,0,0,0|1,0,0]=3 3225 B5R0.1 CCCC(=S)Cl Amb24626931 [2,0,0,0,0,0|1,1,0]=4 3226 B5R0.1 CCCC(N)O Amb25147414 [2,0,0,0,0,0|1,0,1]=4 3227 B5R0.1 CCCC(O)=S Amb22229383 [2,0,0,0,0,0|0,1,0]=3 3228 B5R0.1 CCCC(O)Br Amb25106743 [2,0,0,0,0,0|1,0,1]=4 3229 B5R0.1 CCCC(O)Cl Amb22552567 [2,0,0,0,0,0|1,0,1]=4 3230 B5R0.1 CCCC([O-])=O Amb17772223 [2,0,0,0,0,0|0,0,1]=3 3231 B5R0.1 CCCC([O-])=O Amb22732283 [2,0,0,0,0,0|0,0,1]=3 3232 B5R0.1 CCCC([O-])=O Amb22732651 [2,0,0,0,0,0|0,0,1]=3 3233 B5R0.1 CCCN(C)O Amb25024622 [2,0,0,0,0,0|2,0,0]=4 3234 B5R0.1 CCCS(=O)Cl Amb25025566 [2,0,0,0,0,0|2,0,0]=4 3235 B5R0.1 CCCS(N)=O Amb24733579 [2,0,0,0,0,0|2,0,0]=4 3236 B5R0.1 CCCS(O)=O Amb24615072 [2,0,0,0,0,0|1,0,0]=3 3237 B5R0.1 CCCS([O-])=O Amb19929119 [2,0,0,0,0,0|1,0,1]=4 3238 B5R0.1 CCC[13C](O)=O Amb22337992 [2,0,0,0,0,0|0,0,0]=2 3239 B5R0.1 CCC[13C](O)=O Amb22338339 [2,0,0,0,0,0|0,0,0]=2 3240 B5R0.1 CCNC(=O)Br Amb24563760 [2,0,0,0,0,0|2,0,0]=4 3241 B5R0.1 CCNC(=O)Cl Amb25791793 [2,0,0,0,0,0|2,0,0]=4 3242 B5R0.1 CCNC(O)=S Amb24612743 [2,0,0,0,0,0|1,1,0]=4 3243 B5R0.1 CCOC([13CH3])=O Amb22363103 [2,0,0,0,0,0|2,0,0]=4 3244 B5R0.1 CCOP(O)=O Amb22360741 [2,0,0,0,0,0|2,0,0]=4 3245 B5R0.1 CCO[13C](C)=O Amb22363160 [2,0,0,0,0,0|2,0,0]=4 3246 B5R0.1 CCO[13C]([13CH3])=O Amb22351310 [2,0,0,0,0,0|2,0,0]=4 3247 B5R0.1 CCO[14C](N)=O Amb22732757 [2,0,0,0,0,0|2,0,0]=4 3248 B5R0.1 CCSC(N)=O Amb24394612 [2,0,0,0,0,0|2,0,0]=4 3249 B5R0.1 CC[13CH2]C(O)=O Amb22367520 [2,0,0,0,0,0|0,0,0]=2 3250 B5R0.1 CC[13CH2]C([O-])=O Amb22351787 [2,0,0,0,0,0|0,0,1]=3 3251 B5R0.1 CC[13CH2][13C](O)=O Amb22351790 [2,0,0,0,0,0|0,0,0]=2 3252 B5R0.1 CN(C)CC=O Amb22002191 [2,0,0,0,0,0|1,0,0]=3 3253 B5R0.1 CN(C)CC=O Amb22491245 [2,0,0,0,0,0|1,0,0]=3 3254 B5R0.1 CN(C)CC=O Amb22491584 [2,0,0,0,0,0|1,0,0]=3 3255 B5R0.1 CN(C)CC=O Amb22756473 [2,0,0,0,0,0|1,0,0]=3 3256 B5R0.1 CN(C)CC=O Amb23440511 [2,0,0,0,0,0|1,0,0]=3 3257 B5R0.1 CN(O)CCO Amb25234570 [2,0,0,0,0,0|1,0,1]=4 3258 B5R0.1 CNCC(=O)C Amb17621974 [2,0,0,0,0,0|2,0,0]=4 3259 B5R0.1 CNCC(=O)N Amb10610205 [2,0,0,0,0,0|2,0,0]=4 3260 B5R0.1 CNCC(C)=O Amb21959975 [2,0,0,0,0,0|2,0,0]=4 3261 B5R0.1 CNCC(C)C Amb1119103 [2,0,0,0,0,0|2,0,0]=4 3262 B5R0.1 CNCC(C)C Amb13951443 [2,0,0,0,0,0|2,0,0]=4 3263 B5R0.1 CNCC([O-])=O Amb20246714 [2,0,0,0,0,0|1,0,1]=4 3264 B5R0.1 CNCP(O)=O Amb24478116 [2,0,0,0,0,0|2,0,0]=4 3265 B5R0.1 COCC(=O)Br Amb25282928 [2,0,0,0,0,0|2,0,0]=4 3266 B5R0.1 COCC(=O)N Amb1153776 [2,0,0,0,0,0|2,0,0]=4 3267 B5R0.1 CS(=O)CC=O Amb25173706 [2,0,0,0,0,0|1,0,1]=4 3268 B5R0.1 CSCC(=O)Cl Amb24528357 [2,0,0,0,0,0|2,0,0]=4 3269 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|1,0,0]=3 3270 B5R0.1 CSCC(C)=O Amb20621731 [2,0,0,0,0,0|2,0,0]=4 3271 B5R0.1 CSCC(C)O Amb20622311 [2,0,0,0,0,0|2,0,0]=4 3272 B5R0.1 CSCC(N)=O Amb19515874 [2,0,0,0,0,0|2,0,0]=4 3273 B5R0.1 CSC[C@@H](C)O Amb24408899 [2,0,0,0,0,0|2,0,0]=4 3274 B5R0.1 CSC[C@H](C)O Amb24699036 [2,0,0,0,0,0|2,0,0]=4 3275 B5R0.1 C[13CH2]CC([O-])=O Amb22367521 [2,0,0,0,0,0|0,0,1]=3 3276 B5R0.1 C[C@@H](Cl)CC=C Amb25123337 [2,0,0,0,0,0|2,0,0]=4 3277 B5R0.1 C[C@@H](Cl)CCO Amb24478443 [2,0,0,0,0,0|1,0,1]=4 3278 B5R0.1 C[C@@H](N)CCO Amb19515999 [2,0,0,0,0,0|1,0,1]=4 3279 B5R0.1 C[C@@H](N)CCO Amb22746127 [2,0,0,0,0,0|1,0,1]=4 3280 B5R0.1 C[C@@H](O)C=C=O Amb25146481 [2,0,0,0,0,0|0,0,2]=4 3281 B5R0.1 C[C@@H](O)CC#N Amb22224888 [2,0,0,0,0,0|1,0,1]=4 3282 B5R0.1 C[C@@H](O)CC=C Amb22225370 [2,0,0,0,0,0|1,0,0]=3 3283 B5R0.1 C[C@@H](O)CC=O Amb24356009 [2,0,0,0,0,0|0,0,0]=2 3284 B5R0.1 C[C@@H](O)CCCl Amb24565032 [2,0,0,0,0,0|1,0,1]=4 3285 B5R0.1 C[C@@H](O)CCN Amb22736702 [2,0,0,0,0,0|1,0,1]=4 3286 B5R0.1 C[C@@H](O)\C=C\I Amb24334105 [2,0,0,0,0,0|1,0,1]=4 3287 B5R0.1 C[C@H](Cl)CC=C Amb24626620 [2,0,0,0,0,0|2,0,0]=4 3288 B5R0.1 C[C@H](N)CCO Amb19515998 [2,0,0,0,0,0|1,0,1]=4 3289 B5R0.1 C[C@H](N)CCO Amb24055217 [2,0,0,0,0,0|1,0,1]=4 3290 B5R0.1 C[C@H](O)CC#N Amb22736701 [2,0,0,0,0,0|1,0,1]=4 3291 B5R0.1 C[C@H](O)CC=C Amb22226758 [2,0,0,0,0,0|1,0,0]=3 3292 B5R0.1 C[C@H](O)CCI Amb24675161 [2,0,0,0,0,0|1,0,1]=4 3293 B5R0.1 C[C@H](O)CCN Amb22736705 [2,0,0,0,0,0|1,0,1]=4 3294 B5R0.1 C[C@H](O)CON Amb24557560 [2,0,0,0,0,0|2,0,0]=4 3295 B5R0.1 C[NH+](C)CCO Amb22493791 [2,0,0,0,0,0|1,0,1]=4 3296 B5R0.1 C[S+](C)CCO Amb24420852 [2,0,0,0,0,0|1,0,1]=4 3297 B5R0.1 C[SiH](C)CC=C Amb19930034 [2,0,0,0,0,0|1,1,0]=4 3298 B5R0.1 C[SiH](C)CCO Amb25184701 [2,0,0,0,0,0|0,1,1]=4 3299 B5R0.1 C\C=C/C(C)C Amb20618870 [2,0,0,0,0,0|1,0,1]=4 3300 B5R0.1 C\C=C\[C@H](C)O Amb25145549 [2,0,0,0,0,0|1,0,1]=4 3301 B5R0.1 N#CCC(O)=O Amb20247050 [2,0,0,0,0,0|1,0,1]=4 3302 B5R0.1 NC(=O)CCBr Amb21618712 [2,0,0,0,0,0|2,0,0]=4 3303 B5R0.1 NC(=O)CCCl Amb1127569 [2,0,0,0,0,0|2,0,0]=4 3304 B5R0.1 NC(=O)CNO Amb25199017 [2,0,0,0,0,0|2,0,0]=4 3305 B5R0.1 NC(=O)NCO Amb17674341 [2,0,0,0,0,0|2,0,0]=4 3306 B5R0.1 NC(=O)OCO Amb25662384 [2,0,0,0,0,0|2,0,0]=4 3307 B5R0.1 NCCC(=O)Cl Amb24117140 [2,0,0,0,0,0|2,0,0]=4 3308 B5R0.1 NCCC(=O)N Amb1137251 [2,0,0,0,0,0|2,0,0]=4 3309 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,0]=3 3310 B5R0.1 NCCP(O)=O Amb22168066 [2,0,0,0,0,0|2,0,0]=4 3311 B5R0.1 NNCC(C)C Amb1105732 [2,0,0,0,0,0|2,0,0]=4 3312 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|2,0,0]=4 3313 B5R0.1 N[C@H](O)CCO Amb24421109 [2,0,0,0,0,0|1,0,1]=4 3314 B5R0.1 O=C(Br)CCBr Amb24624022 [2,0,0,0,0,0|2,0,0]=4 3315 B5R0.1 O=C(Br)CCCl Amb24474527 [2,0,0,0,0,0|2,0,0]=4 3316 B5R0.1 O=C(I)CCCl Amb25146462 [2,0,0,0,0,0|2,0,0]=4 3317 B5R0.1 O=CCC(Br)Br Amb25026607 [2,0,0,0,0,0|2,0,0]=4 3318 B5R0.1 O=CNN(C)C Amb1930732 [2,0,0,0,0,0|2,0,0]=4 3319 B5R0.1 OC(=O)CC=O Amb22169407 [2,0,0,0,0,0|0,0,2]=4 3320 B5R0.1 OC(=O)CCF Amb10603694 [2,0,0,0,0,0|1,0,0]=3 3321 B5R0.1 OC(=O)CI=O Amb25146428 [2,0,0,0,0,0|1,0,1]=4 3322 B5R0.1 OC(=O)CNBr Amb25053433 [2,0,0,0,0,0|2,0,0]=4 3323 B5R0.1 OC(=O)CNCl Amb24653229 [2,0,0,0,0,0|2,0,0]=4 3324 B5R0.1 OC(=O)CNI Amb25216175 [2,0,0,0,0,0|2,0,0]=4 3325 B5R0.1 OC(=O)CSCl Amb24597301 [2,0,0,0,0,0|2,0,0]=4 3326 B5R0.1 OC(=O)C[Hg]Cl Amb22347659 [2,0,0,0,0,0|2,0,0]=4 3327 B5R0.1 OC(O)CC=S Amb24478084 [2,0,0,0,0,0|1,1,0]=4 3328 B5R0.1 OCCS(=O)=O Amb24474283 [2,0,0,0,0,0|1,0,1]=4 3329 B5R0.1 OCOP(O)=O Amb24333194 [2,0,0,0,0,0|2,0,0]=4 3330 B5R0.1 OCOS(O)=O Amb25106091 [2,0,0,0,0,0|2,0,0]=4 3331 B5R0.1 ON=CC(O)=O Amb25046587 [2,0,0,0,0,0|1,0,1]=4 3332 B5R0.1 ONCC(O)=O Amb24120360 [2,0,0,0,0,0|1,0,0]=3 3333 B5R0.1 OP(=O)CC=O Amb25706451 [2,0,0,0,0,0|2,0,0]=4 3334 B5R0.1 OP(=O)CCBr Amb24634095 [2,0,0,0,0,0|2,0,0]=4 3335 B5R0.1 OP(=O)CCCl Amb24465178 [2,0,0,0,0,0|2,0,0]=4 3336 B5R0.1 O\N=C/C(=O)O Amb10601571 [2,0,0,0,0,0|1,0,1]=4 3337 B5R0.1 O\N=C\C(O)=O Amb20671938 [2,0,0,0,0,0|1,0,1]=4 3338 B5R0.1 [13CH3]CCC([O-])=O Amb22351845 [2,0,0,0,0,0|0,0,1]=3 3339 B5R0.1 [13CH3]C[13CH2]C([O-])=O Amb22351704 [2,0,0,0,0,0|0,0,1]=3 3340 B5R0.1 [13CH3][13CH2][13CH2][13C]([O-])=O Amb22353296 [2,0,0,0,0,0|0,0,1]=3 3341 B5R0.1 [15NH2]C[13CH2][13C](O)=O Amb22353834 [2,0,0,0,0,0|1,0,0]=3 3342 B5R0.1 [15NH2][13CH2][13CH2][13C](O)=O Amb22353457 [2,0,0,0,0,0|1,0,0]=3 3343 B5R0.1 [2H]C(=O)OCC Amb22336312 [2,0,0,0,0,0|2,0,0]=4 3344 B5R0.1 [C-]#[N+]CC(C)C Amb22900913 [2,0,0,0,0,0|2,0,0]=4 3345 B5R0.1 [C-]#[N+]CC(C)O Amb25810214 [2,0,0,0,0,0|2,0,0]=4 3346 B5R0.1 [O-]C(=O)CCBr Amb22229633 [2,0,0,0,0,0|1,0,1]=4 3347 B5R0.1 [O-]C(=O)CCCl Amb10604124 [2,0,0,0,0,0|1,0,1]=4 3348 B5R0.1 [O-]C(=O)CCCl Amb22051669 [2,0,0,0,0,0|1,0,1]=4 3349 B5R0.1 [O-]C(=O)CCO Amb22055495 [2,0,0,0,0,0|0,0,1]=3 3350 B5R0.2 C=CCCCCl Amb22229585 [2,0,0,0,0,0|2,0,0]=4 3351 B5R0.2 C=CCCCF Amb25689705 [2,0,0,0,0,0|2,0,0]=4 3352 B5R0.2 C=CCCCI Amb25278794 [2,0,0,0,0,0|2,0,0]=4 3353 B5R0.2 C=CCCCN Amb18299670 [2,0,0,0,0,0|2,0,0]=4 3354 B5R0.2 C=CCCCN Amb22001451 [2,0,0,0,0,0|2,0,0]=4 3355 B5R0.2 C=CCOCO Amb25115933 [2,0,0,0,0,0|2,0,0]=4 3356 B5R0.2 C=CNCCO Amb24380906 [2,0,0,0,0,0|2,0,0]=4 3357 B5R0.2 CCCCC=C Amb22338530 [2,0,0,0,0,0|2,0,0]=4 3358 B5R0.2 CCCCNO Amb24686451 [2,0,0,0,0,0|2,0,0]=4 3359 B5R0.2 CCSCC=O Amb17940620 [2,0,0,0,0,0|2,0,0]=4 3360 B5R0.2 COCCC=O Amb10602324 [2,0,0,0,0,0|2,0,0]=4 3361 B5R0.2 C\C=C/CCO Amb19930204 [2,0,0,0,0,0|1,0,1]=4 3362 B5R0.2 C\C=C\CCO Amb24655557 [2,0,0,0,0,0|1,0,1]=4 3363 B5R0.2 NCCNC=O Amb25213948 [2,0,0,0,0,0|2,0,0]=4 3364 B5R0.2 NCCOC=O Amb24612320 [2,0,0,0,0,0|2,0,0]=4 3365 B5R0.2 NNCCCO Amb19514839 [2,0,0,0,0,0|2,0,0]=4 3366 B5R0.2 NNCCCO Amb22058994 [2,0,0,0,0,0|2,0,0]=4 3367 B5R0.2 NOCCCO Amb18061671 [2,0,0,0,0,0|2,0,0]=4 3368 B5R0.2 O=CCCC=O Amb22231966 [2,0,0,0,0,0|0,0,2]=4 3369 B5R0.2 O=CCCCBr Amb18644189 [2,0,0,0,0,0|1,0,0]=3 3370 B5R0.2 O=CCCCF Amb24056028 [2,0,0,0,0,0|1,0,0]=3 3371 B5R0.2 O=CCCSCl Amb25146622 [2,0,0,0,0,0|2,0,0]=4 3372 B5R0.2 O=CCCSS Amb22524519 [2,0,0,0,0,0|1,1,0]=4 3373 B5R0.2 O=CCOCBr Amb25765436 [2,0,0,0,0,0|2,0,0]=4 3374 B5R0.2 O=CCOCC Amb24052108 [2,0,0,0,0,0|2,0,0]=4 3375 B5R0.2 O=CCOCCl Amb24671305 [2,0,0,0,0,0|2,0,0]=4 3376 B5R0.2 O=COCCCl Amb22345927 [2,0,0,0,0,0|2,0,0]=4 3377 B5R0.2 O=CSCCCl Amb25808568 [2,0,0,0,0,0|2,0,0]=4 3378 B5R0.2 OC#CCCO Amb24333438 [2,0,0,0,0,0|0,0,2]=4 3379 B5R0.2 OC=NCCCl Amb24684796 [2,0,0,0,0,0|2,0,0]=4 3380 B5R0.2 OCC#CC=O Amb24566145 [2,0,0,0,0,0|0,0,2]=4 3381 B5R0.2 OCCC=NO Amb24581888 [2,0,0,0,0,0|1,0,1]=4 3382 B5R0.2 OCCCC#C Amb1219893 [2,0,0,0,0,0|1,0,1]=4 3383 B5R0.2 OCCCC=O Amb24589235 [2,0,0,0,0,0|0,0,0]=2 3384 B5R0.2 OCCCCCl Amb1101976 [2,0,0,0,0,0|1,0,1]=4 3385 B5R0.2 OCCCCF Amb17593046 [2,0,0,0,0,0|1,0,1]=4 3386 B5R0.2 OCCCCI Amb25689806 [2,0,0,0,0,0|1,0,1]=4 3387 B5R0.2 OCCCCS Amb22229807 [2,0,0,0,0,0|0,1,1]=4 3388 B5R0.2 OCCCNCl Amb25146306 [2,0,0,0,0,0|2,0,0]=4 3389 B5R0.2 OCCCNO Amb24719785 [2,0,0,0,0,0|1,0,0]=3 3390 B5R0.2 OCCNC=S Amb24723087 [2,0,0,0,0,0|1,1,0]=4 3391 B5R0.2 OCCOC=C Amb17674184 [2,0,0,0,0,0|2,0,0]=4 3392 B5R0.2 OCCON=O Amb22363071 [2,0,0,0,0,0|2,0,0]=4 3393 B5R0.2 OCCSN=O Amb25145493 [2,0,0,0,0,0|2,0,0]=4 3394 B5R0.2 OCC\C=C\I Amb24332782 [2,0,0,0,0,0|1,0,1]=4 3395 B5R0.2 OCNCCO Amb22228429 [2,0,0,0,0,0|1,0,1]=4 3396 B5R0.2 OCOCCO Amb22228906 [2,0,0,0,0,0|1,0,1]=4 3397 B5R0.2 OC\C=C\C=O Amb24356008 [2,0,0,0,0,0|0,0,2]=4 3398 B5R0.2 ON=CCC=O Amb25744688 [2,0,0,0,0,0|1,0,1]=4 3399 B5R0.2 ON=NCCO Amb25747385 [2,0,0,0,0,0|2,0,0]=4 3400 B5R0.2 O\C=C\CCO Amb24333503 [2,0,0,0,0,0|0,0,1]=3 3401 B5R0.2 O\N=C\CC=O Amb24640219 [2,0,0,0,0,0|1,0,1]=4 3402 B5R0.2 SCCCC=C Amb17939241 [2,0,0,0,0,0|1,1,0]=4 3403 B5R0.2 [C-]#[N+]CCC=O Amb24706723 [2,0,0,0,0,0|2,0,0]=4 3404 B5R0.3 BrCC(Br)C=O Amb17670591 [2,0,0,0,0,0|2,0,0]=4 3405 B5R0.3 C=CC(N)CO Amb19374935 [2,0,0,0,0,0|1,0,1]=4 3406 B5R0.3 C=C[C@@H](F)CO Amb24475877 [2,0,0,0,0,0|1,0,1]=4 3407 B5R0.3 C=C[C@@H](N)CO Amb19886656 [2,0,0,0,0,0|1,0,1]=4 3408 B5R0.3 C=C[C@@H](O)CO Amb22225315 [2,0,0,0,0,0|1,0,1]=4 3409 B5R0.3 C=C[C@H](F)CO Amb25043797 [2,0,0,0,0,0|1,0,1]=4 3410 B5R0.3 C=C[C@H](N)CO Amb25147462 [2,0,0,0,0,0|1,0,1]=4 3411 B5R0.3 C=C[C@H](O)CO Amb19888350 [2,0,0,0,0,0|1,0,1]=4 3412 B5R0.3 CC(=CBr)CO Amb17610042 [2,0,0,0,0,0|1,0,1]=4 3413 B5R0.3 CC(C=C)C=O Amb25737956 [2,0,0,0,0,0|1,0,1]=4 3414 B5R0.3 CC(C=O)=NO Amb25746939 [2,0,0,0,0,0|1,0,1]=4 3415 B5R0.3 CC(C=O)C#C Amb24557170 [2,0,0,0,0,0|1,0,1]=4 3416 B5R0.3 CC(CBr)C=C Amb25310976 [2,0,0,0,0,0|1,0,1]=4 3417 B5R0.3 CC(CBr)C=O Amb24478503 [2,0,0,0,0,0|1,0,0]=3 3418 B5R0.3 CC(CBr)CBr Amb21962898 [2,0,0,0,0,0|2,0,0]=4 3419 B5R0.3 CC(CCl)C=O Amb24691518 [2,0,0,0,0,0|1,0,0]=3 3420 B5R0.3 CC(CCl)CBr Amb22002150 [2,0,0,0,0,0|2,0,0]=4 3421 B5R0.3 CC(CF)C=O Amb24638421 [2,0,0,0,0,0|1,0,0]=3 3422 B5R0.3 CC(CN)C=C Amb18286499 [2,0,0,0,0,0|1,0,1]=4 3423 B5R0.3 CC(CN)CCl Amb22886205 [2,0,0,0,0,0|2,0,0]=4 3424 B5R0.3 CC(CN)CF Amb25025690 [2,0,0,0,0,0|2,0,0]=4 3425 B5R0.3 CC(CN)CN Amb18957946 [2,0,0,0,0,0|2,0,0]=4 3426 B5R0.3 CC(CN)CS Amb18251064 [2,0,0,0,0,0|1,1,0]=4 3427 B5R0.3 CC(CO)=C=C Amb25839359 [2,0,0,0,0,0|0,0,2]=4 3428 B5R0.3 CC(CO)=CI Amb24545825 [2,0,0,0,0,0|1,0,1]=4 3429 B5R0.3 CC(CO)=NO Amb24443579 [2,0,0,0,0,0|1,0,1]=4 3430 B5R0.3 CC(CO)C=C Amb22347861 [2,0,0,0,0,0|0,0,1]=3 3431 B5R0.3 CC(CO)C=O Amb25745800 [2,0,0,0,0,0|0,0,0]=2 3432 B5R0.3 CC(CO)CBr Amb24061911 [2,0,0,0,0,0|1,0,0]=3 3433 B5R0.3 CC(CO)CP Amb24619153 [2,0,0,0,0,0|1,0,0]=3 3434 B5R0.3 CC(CO)CS Amb19375381 [2,0,0,0,0,0|0,1,0]=3 3435 B5R0.3 CC(CO)NN Amb20622512 [2,0,0,0,0,0|2,0,0]=4 3436 B5R0.3 CC(CO)NN Amb22231763 [2,0,0,0,0,0|2,0,0]=4 3437 B5R0.3 CC(CS)C=O Amb25758635 [2,0,0,0,0,0|0,1,0]=3 3438 B5R0.3 CCC(Br)C=O Amb18124003 [2,0,0,0,0,0|2,0,0]=4 3439 B5R0.3 CCC(C)CI Amb22227967 [2,0,0,0,0,0|1,0,1]=4 3440 B5R0.3 CCC(Cl)C=O Amb18122610 [2,0,0,0,0,0|2,0,0]=4 3441 B5R0.3 CCC(Cl)CO Amb22011826 [2,0,0,0,0,0|1,0,1]=4 3442 B5R0.3 CCC(F)C=O Amb24606916 [2,0,0,0,0,0|2,0,0]=4 3443 B5R0.3 CCC(I)C=O Amb25365077 [2,0,0,0,0,0|2,0,0]=4 3444 B5R0.3 CCC(I)CO Amb24444860 [2,0,0,0,0,0|1,0,1]=4 3445 B5R0.3 CCC(O)C=O Amb25347970 [2,0,0,0,0,0|2,0,0]=4 3446 B5R0.3 CCC(O)CO Amb22367049 [2,0,0,0,0,0|1,0,1]=4 3447 B5R0.3 CCC(S)C=O Amb18122377 [2,0,0,0,0,0|2,0,0]=4 3448 B5R0.3 CCN(C)C=O Amb20627285 [2,0,0,0,0,0|2,0,0]=4 3449 B5R0.3 CCN(C)CO Amb24407447 [2,0,0,0,0,0|1,0,1]=4 3450 B5R0.3 CC[C@@H](C)CBr Amb22800948 [2,0,0,0,0,0|1,0,1]=4 3451 B5R0.3 CC[C@@H](C)CCl Amb22800693 [2,0,0,0,0,0|1,0,1]=4 3452 B5R0.3 CC[C@@H](C)CI Amb24332577 [2,0,0,0,0,0|1,0,1]=4 3453 B5R0.3 CC[C@@H](C)CN Amb22800554 [2,0,0,0,0,0|1,0,1]=4 3454 B5R0.3 CC[C@@H](C)CO Amb22799907 [2,0,0,0,0,0|0,0,1]=3 3455 B5R0.3 CC[C@@H](CO)C Amb10844611 [2,0,0,0,0,0|0,0,1]=3 3456 B5R0.3 CC[C@@H](Cl)C=O Amb24645873 [2,0,0,0,0,0|2,0,0]=4 3457 B5R0.3 CC[C@@H](O)CO Amb20241381 [2,0,0,0,0,0|1,0,1]=4 3458 B5R0.3 CC[C@H](Br)CO Amb25147674 [2,0,0,0,0,0|1,0,1]=4 3459 B5R0.3 CC[C@H](C)CBr Amb22351674 [2,0,0,0,0,0|1,0,1]=4 3460 B5R0.3 CC[C@H](C)CCl Amb25728424 [2,0,0,0,0,0|1,0,1]=4 3461 B5R0.3 CC[C@H](C)CN Amb20241892 [2,0,0,0,0,0|1,0,1]=4 3462 B5R0.3 CC[C@H](Cl)C=O Amb24478146 [2,0,0,0,0,0|2,0,0]=4 3463 B5R0.3 CC[C@H](O)C=O Amb24333959 [2,0,0,0,0,0|2,0,0]=4 3464 B5R0.3 CC[C@H](O)CO Amb20241380 [2,0,0,0,0,0|1,0,1]=4 3465 B5R0.3 CN(CCl)C=O Amb24478418 [2,0,0,0,0,0|2,0,0]=4 3466 B5R0.3 CN(CO)CO Amb25847061 [2,0,0,0,0,0|1,0,0]=3 3467 B5R0.3 COC(C)CO Amb19517078 [2,0,0,0,0,0|1,0,1]=4 3468 B5R0.3 CSC(C)CO Amb24438636 [2,0,0,0,0,0|1,0,1]=4 3469 B5R0.3 CS[C@@H](C)CO Amb25255982 [2,0,0,0,0,0|1,0,1]=4 3470 B5R0.3 CS[C@H](C)CO Amb25376268 [2,0,0,0,0,0|1,0,1]=4 3471 B5R0.3 C[C@@H](CBr)C=C Amb24334134 [2,0,0,0,0,0|1,0,1]=4 3472 B5R0.3 C[C@@H](CBr)C=O Amb25024867 [2,0,0,0,0,0|1,0,0]=3 3473 B5R0.3 C[C@@H](CCl)CBr Amb25798880 [2,0,0,0,0,0|2,0,0]=4 3474 B5R0.3 C[C@@H](CF)CI Amb25220903 [2,0,0,0,0,0|2,0,0]=4 3475 B5R0.3 C[C@@H](CN)CO Amb24181882 [2,0,0,0,0,0|1,0,0]=3 3476 B5R0.3 C[C@@H](CO)C=C Amb25145603 [2,0,0,0,0,0|0,0,1]=3 3477 B5R0.3 C[C@@H](CO)C=O Amb24750144 [2,0,0,0,0,0|0,0,0]=2 3478 B5R0.3 C[C@@H](CO)CCl Amb25129442 [2,0,0,0,0,0|1,0,0]=3 3479 B5R0.3 C[C@@H](CO)CI Amb25107296 [2,0,0,0,0,0|1,0,0]=3 3480 B5R0.3 C[C@@H](OC)CO Amb10603218 [2,0,0,0,0,0|1,0,1]=4 3481 B5R0.3 C[C@H](CF)CI Amb25810221 [2,0,0,0,0,0|2,0,0]=4 3482 B5R0.3 C[C@H](CI)C=C Amb25147661 [2,0,0,0,0,0|1,0,1]=4 3483 B5R0.3 C[C@H](CO)CCl Amb24333846 [2,0,0,0,0,0|1,0,0]=3 3484 B5R0.3 C[C@H](CO)CS Amb24719511 [2,0,0,0,0,0|0,1,0]=3 3485 B5R0.3 C\C(=C/O)\C=O Amb25276378 [2,0,0,0,0,0|0,0,2]=4 3486 B5R0.3 C\C(\C=O)=N/O Amb24478401 [2,0,0,0,0,0|1,0,1]=4 3487 B5R0.3 N=C(CO)CO Amb24456790 [2,0,0,0,0,0|1,0,1]=4 3488 B5R0.3 NC(CO)CCl Amb24680312 [2,0,0,0,0,0|2,0,0]=4 3489 B5R0.3 NC(CO)CF Amb20622637 [2,0,0,0,0,0|2,0,0]=4 3490 B5R0.3 NC(CO)CF Amb25734803 [2,0,0,0,0,0|2,0,0]=4 3491 B5R0.3 NC(CO)CO Amb22730767 [2,0,0,0,0,0|1,0,0]=3 3492 B5R0.3 NC(CO)CS Amb18640677 [2,0,0,0,0,0|1,1,0]=4 3493 B5R0.3 NCC(Br)CO Amb25147258 [2,0,0,0,0,0|2,0,0]=4 3494 B5R0.3 NCC(N)CO Amb24117147 [2,0,0,0,0,0|2,0,0]=4 3495 B5R0.3 NCC(O)C=O Amb24419762 [2,0,0,0,0,0|2,0,0]=4 3496 B5R0.3 NC[C@@H](N)CO Amb19374894 [2,0,0,0,0,0|2,0,0]=4 3497 B5R0.3 NC[C@H](O)CO Amb20670545 [2,0,0,0,0,0|2,0,0]=4 3498 B5R0.3 N[C@H](CO)CS Amb24560326 [2,0,0,0,0,0|1,1,0]=4 3499 B5R0.3 O=CC(Br)CCl Amb18647566 [2,0,0,0,0,0|2,0,0]=4 3500 B5R0.3 O=CC(C=O)C Amb17593026 [2,0,0,0,0,0|0,0,2]=4 3501 B5R0.3 O=CC(Cl)CCl Amb18124314 [2,0,0,0,0,0|2,0,0]=4 3502 B5R0.3 OC(C=C)CO Amb17610151 [2,0,0,0,0,0|1,0,1]=4 3503 B5R0.3 OC(CCl)CO Amb22338175 [2,0,0,0,0,0|2,0,0]=4 3504 B5R0.3 OC(CF)C=O Amb25210931 [2,0,0,0,0,0|2,0,0]=4 3505 B5R0.3 OC(CI)C=O Amb25694739 [2,0,0,0,0,0|2,0,0]=4 3506 B5R0.3 OC(CO)C=O Amb21618959 [2,0,0,0,0,0|1,0,0]=3 3507 B5R0.3 OC(CO)CO Amb22052560 [2,0,0,0,0,0|1,0,0]=3 3508 B5R0.3 OC(CO)CO Amb22167864 [2,0,0,0,0,0|1,0,0]=3 3509 B5R0.3 OC(CO)CO Amb22349321 [2,0,0,0,0,0|1,0,0]=3 3510 B5R0.3 OC(CO)CO Amb22351872 [2,0,0,0,0,0|1,0,0]=3 3511 B5R0.3 OC(CO)CO Amb22353313 [2,0,0,0,0,0|1,0,0]=3 3512 B5R0.3 OC(CO)CO Amb22367100 [2,0,0,0,0,0|1,0,0]=3 3513 B5R0.3 OC(CO)CO Amb22730938 [2,0,0,0,0,0|1,0,0]=3 3514 B5R0.3 OC(CO)CO Amb22731173 [2,0,0,0,0,0|1,0,0]=3 3515 B5R0.3 OC([13CH2]O)[13CH2]O Amb22336314 [2,0,0,0,0,0|1,0,0]=3 3516 B5R0.3 OCC(=O)C=O Amb17593031 [2,0,0,0,0,0|1,0,1]=4 3517 B5R0.3 OCC(=O)CO Amb22732522 [2,0,0,0,0,0|1,0,1]=4 3518 B5R0.3 OCC(Br)C=O Amb18644196 [2,0,0,0,0,0|1,0,0]=3 3519 B5R0.3 OCC(Br)CCl Amb24736275 [2,0,0,0,0,0|2,0,0]=4 3520 B5R0.3 OCC(Br)CF Amb24635772 [2,0,0,0,0,0|2,0,0]=4 3521 B5R0.3 OCC(Br)CO Amb22054566 [2,0,0,0,0,0|1,0,0]=3 3522 B5R0.3 OCC(C=O)Cl Amb17593122 [2,0,0,0,0,0|1,0,0]=3 3523 B5R0.3 OCC(CBr)Br Amb10070836 [2,0,0,0,0,0|2,0,0]=4 3524 B5R0.3 OCC(CO)Cl Amb17611073 [2,0,0,0,0,0|1,0,0]=3 3525 B5R0.3 OCC(CS)Cl Amb17593329 [2,0,0,0,0,0|1,1,0]=4 3526 B5R0.3 OCC(Cl)CF Amb21951908 [2,0,0,0,0,0|2,0,0]=4 3527 B5R0.3 OCC(F)CBr Amb24061909 [2,0,0,0,0,0|2,0,0]=4 3528 B5R0.3 OCC(F)CF Amb25344040 [2,0,0,0,0,0|2,0,0]=4 3529 B5R0.3 OCC(I)CO Amb25146352 [2,0,0,0,0,0|1,0,0]=3 3530 B5R0.3 OCC(O)CF Amb21961974 [2,0,0,0,0,0|2,0,0]=4 3531 B5R0.3 OCC(O)CI Amb22055356 [2,0,0,0,0,0|2,0,0]=4 3532 B5R0.3 OCC(S)CBr Amb25101077 [2,0,0,0,0,0|2,0,0]=4 3533 B5R0.3 OCN(Cl)CO Amb25731004 [2,0,0,0,0,0|2,0,0]=4 3534 B5R0.3 OC[C@@H](Br)CBr Amb25051836 [2,0,0,0,0,0|2,0,0]=4 3535 B5R0.3 OC[C@@H](Cl)CCl Amb25204068 [2,0,0,0,0,0|2,0,0]=4 3536 B5R0.3 OC[C@@H](O)C=O Amb20242417 [2,0,0,0,0,0|1,0,0]=3 3537 B5R0.3 OC[C@@H](O)CBr Amb22225154 [2,0,0,0,0,0|2,0,0]=4 3538 B5R0.3 OC[C@@H](O)CF Amb23401456 [2,0,0,0,0,0|2,0,0]=4 3539 B5R0.3 OC[C@@H](O)CI Amb24352881 [2,0,0,0,0,0|2,0,0]=4 3540 B5R0.3 OC[C@H](Br)CBr Amb25688292 [2,0,0,0,0,0|2,0,0]=4 3541 B5R0.3 OC[C@H](O)CBr Amb22226653 [2,0,0,0,0,0|2,0,0]=4 3542 B5R0.3 OC[C@H](O)CCl Amb22226649 [2,0,0,0,0,0|2,0,0]=4 3543 B5R0.3 OC[C@H](O)CI Amb24420532 [2,0,0,0,0,0|2,0,0]=4 3544 B5R0.3 O[13CH2][13CH](O)[13CH2]Cl Amb22054729 [2,0,0,0,0,0|2,0,0]=4 3545 B5R0.3 O[13CH](CO)CO Amb22337993 [2,0,0,0,0,0|1,0,0]=3 3546 B5R0.3 O[13CH]([13CH2]O)[13CH2]O Amb22338082 [2,0,0,0,0,0|1,0,0]=3 3547 B5R0.3 O[14CH]([14CH2]O)[14CH2]O Amb22362924 [2,0,0,0,0,0|1,0,0]=3 3548 B5R0.3 O[C@@H](CBr)C=O Amb24626840 [2,0,0,0,0,0|2,0,0]=4 3549 B5R0.3 O[C@@H](CS)C=O Amb25709640 [2,0,0,0,0,0|1,1,0]=4 3550 B5R0.3 O[C@H](C=O)CO Amb16232009 [2,0,0,0,0,0|1,0,0]=3 3551 B5R0.3 O[C@H](CCl)C=O Amb25662443 [2,0,0,0,0,0|2,0,0]=4 3552 B7R0.3 C=C=CCC(N)CO Amb25758732 [1,1,0,0,0,0|2,0,0]=4 3553 B7R0.3 C=C=CC[C@H](N)CO Amb25858021 [1,1,0,0,0,0|2,0,0]=4 3554 B7R0.3 C=CCCC(Cl)CO Amb24425971 [1,1,0,0,0,0|2,0,0]=4 3555 B7R0.3 C=CCCC(F)CO Amb25127775 [1,1,0,0,0,0|2,0,0]=4 3556 B7R0.3 C=CCCC(N)CO Amb25083009 [1,1,0,0,0,0|2,0,0]=4 3557 B7R0.3 C=CCC[C@H](O)CO Amb25847350 [1,1,0,0,0,0|2,0,0]=4 3558 B7R0.3 CC#CCC(C)CO Amb25781231 [1,1,0,0,0,0|1,0,1]=4 3559 B7R0.3 CC#CC[C@@H](C)CO Amb25719795 [1,1,0,0,0,0|1,0,1]=4 3560 B7R0.3 CC#CC[C@H](C)CO Amb25740641 [1,1,0,0,0,0|1,0,1]=4 3561 B7R0.3 CC(C#N)OCC=O Amb24429384 [1,1,0,0,0,0|1,0,1]=4 3562 B7R0.3 CC(CBr)NCC=C Amb24339231 [1,1,0,0,0,0|2,0,0]=4 3563 B7R0.3 CC(CBr)OCC=C Amb25258900 [1,1,0,0,0,0|2,0,0]=4 3564 B7R0.3 CC(CCC=C)NO Amb25058311 [1,1,0,0,0,0|2,0,0]=4 3565 B7R0.3 CC(CCC=O)C#N Amb18641636 [1,1,0,0,0,0|1,0,1]=4 3566 B7R0.3 CC(CCC=O)C=C Amb18641704 [1,1,0,0,0,0|1,0,1]=4 3567 B7R0.3 CC(CCCO)CO Amb25098490 [1,1,0,0,0,0|0,0,1]=3 3568 B7R0.3 CC(CCl)CCC=C Amb24481361 [1,1,0,0,0,0|2,0,0]=4 3569 B7R0.3 CC(CCl)OCC=C Amb25703271 [1,1,0,0,0,0|2,0,0]=4 3570 B7R0.3 CC(CCl)SCC=C Amb24714255 [1,1,0,0,0,0|2,0,0]=4 3571 B7R0.3 CC(CN)CCC=C Amb25189032 [1,1,0,0,0,0|2,0,0]=4 3572 B7R0.3 CC(CN)CCOC Amb17569915 [1,1,0,0,0,0|1,0,1]=4 3573 B7R0.3 CC(CN)NCCO Amb24738477 [1,1,0,0,0,0|1,0,1]=4 3574 B7R0.3 CC(CN)OCC=C Amb18523837 [1,1,0,0,0,0|2,0,0]=4 3575 B7R0.3 CC(CN)SCC=C Amb25104670 [1,1,0,0,0,0|2,0,0]=4 3576 B7R0.3 CC(CN)SCCO Amb25104065 [1,1,0,0,0,0|1,0,1]=4 3577 B7R0.3 CC(CO)C#CCO Amb25683245 [1,1,0,0,0,0|0,0,2]=4 3578 B7R0.3 CC(CO)CCC#C Amb24481197 [1,1,0,0,0,0|1,0,1]=4 3579 B7R0.3 CC(CO)CCC=O Amb25693017 [1,1,0,0,0,0|0,0,0]=2 3580 B7R0.3 CC(CO)CCCBr Amb25173843 [1,1,0,0,0,0|1,0,1]=4 3581 B7R0.3 CC(CO)CCNC Amb17569900 [1,1,0,0,0,0|1,0,1]=4 3582 B7R0.3 CC(CO)CNC#N Amb25144125 [1,1,0,0,0,0|1,0,1]=4 3583 B7R0.3 CC(CO)CSC#N Amb25234714 [1,1,0,0,0,0|1,0,1]=4 3584 B7R0.3 CC(CO)NCC#C Amb18295633 [1,1,0,0,0,0|1,0,1]=4 3585 B7R0.3 CC(CO)NCCCl Amb24482645 [1,1,0,0,0,0|1,0,1]=4 3586 B7R0.3 CC(CO)NCCF Amb24483267 [1,1,0,0,0,0|1,0,1]=4 3587 B7R0.3 CC(CO)OCC#C Amb22168840 [1,1,0,0,0,0|1,0,1]=4 3588 B7R0.3 CC(CO)SCCF Amb24505185 [1,1,0,0,0,0|1,0,1]=4 3589 B7R0.3 CC(CO)SCCN Amb25062633 [1,1,0,0,0,0|1,0,1]=4 3590 B7R0.3 CC(CO)\C=C\C=O Amb24744749 [1,1,0,0,0,0|0,0,1]=3 3591 B7R0.3 CC(C\C=C\C)CC Amb22730660 [1,1,0,0,0,0|2,0,0]=4 3592 B7R0.3 CC=C=CC(C)CO Amb25847877 [1,1,0,0,0,0|1,0,1]=4 3593 B7R0.3 CCC(C)CCC=O Amb25125664 [1,1,0,0,0,0|1,0,0]=3 3594 B7R0.3 CCC(C)CN=C=O Amb25783333 [1,1,0,0,0,0|1,0,1]=4 3595 B7R0.3 CCC(C)CNOC Amb25039681 [1,1,0,0,0,0|2,0,0]=4 3596 B7R0.3 CCC(C)NC=S=O Amb24697590 [1,1,0,0,0,0|2,0,0]=4 3597 B7R0.3 CCC(C)OCC=O Amb25169598 [1,1,0,0,0,0|1,0,0]=3 3598 B7R0.3 CCC(C)OCCO Amb19516036 [1,1,0,0,0,0|1,0,1]=4 3599 B7R0.3 CCC(C)\C=C\C=O Amb18641694 [1,1,0,0,0,0|1,0,1]=4 3600 B7R0.3 CCC(Cl)COC=O Amb24483209 [1,1,0,0,0,0|2,0,0]=4 3601 B7R0.3 CCC(O)COC=O Amb24642387 [1,1,0,0,0,0|2,0,0]=4 3602 B7R0.3 CCC=NC(C)CO Amb25854399 [1,1,0,0,0,0|2,0,0]=4 3603 B7R0.3 CCCCC(CO)C Amb17593205 [1,1,0,0,0,0|1,0,1]=4 3604 B7R0.3 CCCNC(C)CO Amb22292469 [1,1,0,0,0,0|1,0,1]=4 3605 B7R0.3 CCCO[C@@H](C)CO Amb25257045 [1,1,0,0,0,0|1,0,1]=4 3606 B7R0.3 CCNCC(C)CO Amb25806225 [1,1,0,0,0,0|1,0,1]=4 3607 B7R0.3 CCNC[C@H](C)CO Amb24474559 [1,1,0,0,0,0|1,0,1]=4 3608 B7R0.3 CCOCC(C)CO Amb25823989 [1,1,0,0,0,0|1,0,1]=4 3609 B7R0.3 CCSCC(C)CO Amb25726669 [1,1,0,0,0,0|1,0,1]=4 3610 B7R0.3 CC[C@@H](C)CCCO Amb22799989 [1,1,0,0,0,0|1,0,1]=4 3611 B7R0.3 CC[C@H](C)C#CC=O Amb25714235 [1,1,0,0,0,0|1,0,1]=4 3612 B7R0.3 CC[C@H](C)CCC=O Amb25102725 [1,1,0,0,0,0|1,0,0]=3 3613 B7R0.3 CC[C@H](C)CCCO Amb22226203 [1,1,0,0,0,0|1,0,1]=4 3614 B7R0.3 CC[C@H](C)CNC=O Amb24481319 [1,1,0,0,0,0|1,0,0]=3 3615 B7R0.3 CC[C@H](C)\C=C\CO Amb25142932 [1,1,0,0,0,0|1,0,1]=4 3616 B7R0.3 CC\C(\C)=C/CC=O Amb24657093 [1,1,0,0,0,0|1,0,1]=4 3617 B7R0.3 COC(C)CNC=O Amb25127774 [1,1,0,0,0,0|2,0,0]=4 3618 B7R0.3 COCCC(C)NO Amb25127365 [1,1,0,0,0,0|1,0,1]=4 3619 B7R0.3 COCCC(Cl)CO Amb25725023 [1,1,0,0,0,0|1,0,1]=4 3620 B7R0.3 COCC[C@@H](C)CO Amb24412889 [1,1,0,0,0,0|0,0,1]=3 3621 B7R0.3 COCC[C@H](C)CO Amb25333737 [1,1,0,0,0,0|0,0,1]=3 3622 B7R0.3 COCOC(C)CO Amb25274363 [1,1,0,0,0,0|1,0,1]=4 3623 B7R0.3 COCO[C@@H](C)CO Amb22169783 [1,1,0,0,0,0|1,0,1]=4 3624 B7R0.3 CONCC(O)CO Amb25274226 [1,1,0,0,0,0|2,0,0]=4 3625 B7R0.3 CSC(C)CNC=O Amb24741113 [1,1,0,0,0,0|2,0,0]=4 3626 B7R0.3 CSCCC(C)CO Amb25338794 [1,1,0,0,0,0|0,1,1]=4 3627 B7R0.3 CSCOC(C)CO Amb25374195 [1,1,0,0,0,0|2,0,0]=4 3628 B7R0.3 CSCO[C@@H](C)CO Amb25293637 [1,1,0,0,0,0|2,0,0]=4 3629 B7R0.3 CSCSC(C)CO Amb25128815 [1,1,0,0,0,0|2,0,0]=4 3630 B7R0.3 C[C@@H](CCC=O)C=C Amb25025116 [1,1,0,0,0,0|1,0,1]=4 3631 B7R0.3 C[C@@H](CCCO)CO Amb24475366 [1,1,0,0,0,0|0,0,1]=3 3632 B7R0.3 C[C@@H](CN)NCCO Amb25099589 [1,1,0,0,0,0|1,0,1]=4 3633 B7R0.3 C[C@@H](CO)C=C=CBr Amb24483224 [1,1,0,0,0,0|1,0,1]=4 3634 B7R0.3 C[C@@H](CO)CCC=C Amb25700125 [1,1,0,0,0,0|1,0,0]=3 3635 B7R0.3 C[C@@H](CO)CCC=O Amb24602985 [1,1,0,0,0,0|0,0,0]=2 3636 B7R0.3 C[C@@H](CO)CN=[N+]=[N-] Amb24566126 [1,1,0,0,0,0|2,0,0]=4 3637 B7R0.3 C[C@@H](CO)CNC=O Amb25180638 [1,1,0,0,0,0|0,0,0]=2 3638 B7R0.3 C[C@@H](CO)NCCCl Amb24481379 [1,1,0,0,0,0|1,0,1]=4 3639 B7R0.3 C[C@@H](CO)OCC=C Amb25228448 [1,1,0,0,0,0|1,0,0]=3 3640 B7R0.3 C[C@H](CCC=O)C=C Amb25810817 [1,1,0,0,0,0|1,0,1]=4 3641 B7R0.3 C[C@H](CCC=O)C=O Amb24707164 [1,1,0,0,0,0|0,0,2]=4 3642 B7R0.3 C[C@H](CN)CCCO Amb24426785 [1,1,0,0,0,0|1,0,1]=4 3643 B7R0.3 C[C@H](CO)CCC#C Amb25306457 [1,1,0,0,0,0|1,0,1]=4 3644 B7R0.3 C[C@H](CO)CCCBr Amb24632762 [1,1,0,0,0,0|1,0,1]=4 3645 B7R0.3 C[C@H](CO)CN=[N+]=[N-] Amb24374741 [1,1,0,0,0,0|2,0,0]=4 3646 B7R0.3 C[C@H](CO)\C=C\C=C Amb25832753 [1,1,0,0,0,0|1,0,1]=4 3647 B7R0.3 C\C(\CO)=C\CC=C Amb24363586 [1,1,0,0,0,0|1,0,1]=4 3648 B7R0.3 C\C=C\CC(N)CO Amb24625761 [1,1,0,0,0,0|2,0,0]=4 3649 B7R0.3 C\C=C\C[C@@H](N)CO Amb24579420 [1,1,0,0,0,0|2,0,0]=4 3650 B7R0.3 NC(CCCO)CO Amb18641979 [1,1,0,0,0,0|1,0,1]=4 3651 B7R0.3 NCCCC(CO)C Amb17569904 [1,1,0,0,0,0|1,0,1]=4 3652 B7R0.3 NOCCC(N)CO Amb24531346 [1,1,0,0,0,0|1,0,1]=4 3653 B7R0.3 N[C@@H](CCCO)CO Amb24117047 [1,1,0,0,0,0|1,0,1]=4 3654 B7R0.3 O=COCC(Cl)CCl Amb24481388 [1,1,0,0,0,0|2,0,0]=4 3655 B7R0.3 O=COCC(Cl)CF Amb25725025 [1,1,0,0,0,0|2,0,0]=4 3656 B7R0.3 OC(CBr)CCC=O Amb24559224 [1,1,0,0,0,0|2,0,0]=4 3657 B7R0.3 OC(CCl)CNC=O Amb25137565 [1,1,0,0,0,0|2,0,0]=4 3658 B7R0.3 OC(CCl)COC=O Amb25315901 [1,1,0,0,0,0|2,0,0]=4 3659 B7R0.3 OC(CO)CCC=C Amb10071251 [1,1,0,0,0,0|2,0,0]=4 3660 B7R0.3 OC(CO)\C=C\CO Amb25855770 [1,1,0,0,0,0|1,0,1]=4 3661 B7R0.3 OC(CS)SCC=O Amb24574024 [1,1,0,0,0,0|1,1,0]=4 3662 B7R0.3 OCC(O)CCC=O Amb24669095 [1,1,0,0,0,0|1,0,0]=3 3663 B7R0.3 OCC(O)COC=O Amb25787203 [1,1,0,0,0,0|1,0,0]=3 3664 B7R0.3 OCC(O)CON=O Amb25115941 [1,1,0,0,0,0|2,0,0]=4 3665 B7R0.3 OCC(O)CSN=O Amb25700018 [1,1,0,0,0,0|2,0,0]=4 3666 B7R0.3 OCC(O)C\C=C\Cl Amb25169326 [1,1,0,0,0,0|2,0,0]=4 3667 B7R0.3 OCC(O)OCC=O Amb25046498 [1,1,0,0,0,0|1,0,0]=3 3668 B7R0.3 OCC(O)\C=C\C=O Amb24611201 [1,1,0,0,0,0|1,0,1]=4 3669 B7R0.3 OCCCC(CN)C Amb17569906 [1,1,0,0,0,0|1,0,1]=4 3670 B7R0.3 OCCCC(CO)O Amb17593225 [1,1,0,0,0,0|1,0,1]=4 3671 B7R0.3 OCCCC(Cl)CO Amb25275096 [1,1,0,0,0,0|1,0,1]=4 3672 B7R0.3 OCCCC(F)CO Amb25051440 [1,1,0,0,0,0|1,0,1]=4 3673 B7R0.3 OCCC[C@H](O)CO Amb24687288 [1,1,0,0,0,0|1,0,1]=4 3674 B7R0.3 OC[C@@H](O)CCC=O Amb24482301 [1,1,0,0,0,0|1,0,0]=3 3675 B7R0.3 OC[C@H](O)CCC=O Amb25123219 [1,1,0,0,0,0|1,0,0]=3 3676 B7R0.3 OC[C@H](O)COC=O Amb25831941 [1,1,0,0,0,0|1,0,0]=3 3677 B7R0.3 O[C@@H](CBr)CCC=O Amb24390114 [1,1,0,0,0,0|2,0,0]=4 3678 B7R0.5 CC(C)C(C)CC=C Amb22229588 [1,1,0,0,0,0|2,0,0]=4 3679 B7R0.5 CC(C)C(C)CC=O Amb18641816 [1,1,0,0,0,0|1,0,0]=3 3680 B7R0.5 CC(C)C(C)CNO Amb24747759 [1,1,0,0,0,0|2,0,0]=4 3681 B7R0.5 CC(C)C(C)NC=O Amb24631907 [1,1,0,0,0,0|2,0,0]=4 3682 B7R0.5 CC(C)C(O)CC=O Amb24584440 [1,1,0,0,0,0|2,0,0]=4 3683 B7R0.5 CC(C)N(C)CC=O Amb24372300 [1,1,0,0,0,0|2,0,0]=4 3684 B7R0.5 CC(C)[C@H](C)CC=O Amb25253560 [1,1,0,0,0,0|1,0,0]=3 3685 B7R0.5 CC(C)[C@H](O)CC=O Amb24481570 [1,1,0,0,0,0|2,0,0]=4 3686 B7R0.5 CC(CC#C)C(C)O Amb25821661 [1,1,0,0,0,0|1,0,1]=4 3687 B7R0.5 CC(CC#N)C(C)O Amb25740670 [1,1,0,0,0,0|1,0,1]=4 3688 B7R0.5 CC(CC=C)C(C)Br Amb25225842 [1,1,0,0,0,0|2,0,0]=4 3689 B7R0.5 CC(CC=C)C(C)Cl Amb24483218 [1,1,0,0,0,0|2,0,0]=4 3690 B7R0.5 CC(CC=C)C(C)N Amb25727321 [1,1,0,0,0,0|2,0,0]=4 3691 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [1,1,0,0,0,0|0,0,2]=4 3692 B7R0.5 CC(CC=O)N(C)C Amb18203067 [1,1,0,0,0,0|2,0,0]=4 3693 B7R0.5 CC(CCC)C(O)O Amb25380752 [1,1,0,0,0,0|1,0,1]=4 3694 B7R0.5 CC(CCO)C(C)N Amb23555790 [1,1,0,0,0,0|1,0,1]=4 3695 B7R0.5 CC(CCO)C(O)=O Amb18641949 [1,1,0,0,0,0|0,0,2]=4 3696 B7R0.5 CC(CNC)C(C)O Amb25809434 [1,1,0,0,0,0|2,0,0]=4 3697 B7R0.5 CC(COC)C(C)O Amb24746662 [1,1,0,0,0,0|2,0,0]=4 3698 B7R0.5 CC(Cl)C(C)CCO Amb24563830 [1,1,0,0,0,0|1,0,1]=4 3699 B7R0.5 CC(NC=O)C(C)O Amb25347778 [1,1,0,0,0,0|1,0,0]=3 3700 B7R0.5 CC(O)C(C)CCN Amb18202662 [1,1,0,0,0,0|1,0,1]=4 3701 B7R0.5 CC(O)C(Cl)CC=C Amb25109284 [1,1,0,0,0,0|2,0,0]=4 3702 B7R0.5 CC(O)C(O)CC=C Amb24734248 [1,1,0,0,0,0|2,0,0]=4 3703 B7R0.5 CC(O)C(O)CC=O Amb25745503 [1,1,0,0,0,0|1,0,0]=3 3704 B7R0.5 CC(O)C(O)CCO Amb25851421 [1,1,0,0,0,0|1,0,1]=4 3705 B7R0.5 CC(O)[C@@H](C)CCO Amb24431016 [1,1,0,0,0,0|0,0,1]=3 3706 B7R0.5 CC(O)[C@@H](N)CC=C Amb24367846 [1,1,0,0,0,0|2,0,0]=4 3707 B7R0.5 CC(O)[C@H](N)CC=C Amb25336245 [1,1,0,0,0,0|2,0,0]=4 3708 B7R0.5 CC(SC=C)C(C)O Amb25676605 [1,1,0,0,0,0|2,0,0]=4 3709 B7R0.5 CC(\C=C\Cl)C(C)O Amb25101501 [1,1,0,0,0,0|1,0,1]=4 3710 B7R0.5 CCC[C@H](C)C(C)O Amb25662135 [1,1,0,0,0,0|1,0,1]=4 3711 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [1,1,0,0,0,0|1,0,1]=4 3712 B7R0.5 C[C@@H](CC#N)[C@@H](C)O Amb25792335 [1,1,0,0,0,0|1,0,1]=4 3713 B7R0.5 C[C@@H](CC#N)[C@H](C)O Amb24748439 [1,1,0,0,0,0|1,0,1]=4 3714 B7R0.5 C[C@@H](CC=O)C(Cl)Cl Amb25321996 [1,1,0,0,0,0|1,0,0]=3 3715 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [1,1,0,0,0,0|1,0,1]=4 3716 B7R0.5 C[C@@H](O)C(N)CC=C Amb24332662 [1,1,0,0,0,0|2,0,0]=4 3717 B7R0.5 C[C@@H](O)C(O)CC=C Amb25344994 [1,1,0,0,0,0|2,0,0]=4 3718 B7R0.5 C[C@@H](O)[C@@H](C)CCO Amb24475865 [1,1,0,0,0,0|0,0,1]=3 3719 B7R0.5 C[C@@H](O)[C@H](C)CCO Amb25206314 [1,1,0,0,0,0|0,0,1]=3 3720 B7R0.5 C[C@@H](O)[C@H](F)CC=C Amb24420825 [1,1,0,0,0,0|2,0,0]=4 3721 B7R0.5 C[C@@H](O)[C@H](O)CC=C Amb25106054 [1,1,0,0,0,0|2,0,0]=4 3722 B7R0.5 C[C@@H](OC=O)[C@H](C)Br Amb25701559 [1,1,0,0,0,0|2,0,0]=4 3723 B7R0.5 C[C@@H](\C=C/Cl)[C@@H](C)O Amb24483187 [1,1,0,0,0,0|1,0,1]=4 3724 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [1,1,0,0,0,0|1,0,1]=4 3725 B7R0.5 C[C@H](CC#N)[C@@H](C)O Amb24675390 [1,1,0,0,0,0|1,0,1]=4 3726 B7R0.5 C[C@H](CC#N)[C@H](C)O Amb24733200 [1,1,0,0,0,0|1,0,1]=4 3727 B7R0.5 C[C@H](CC=C)[C@@H](C)O Amb25072004 [1,1,0,0,0,0|1,0,0]=3 3728 B7R0.5 C[C@H](CC=C)[C@H](C)O Amb24717463 [1,1,0,0,0,0|1,0,0]=3 3729 B7R0.5 C[C@H](CC=O)C(Cl)Cl Amb25363179 [1,1,0,0,0,0|1,0,0]=3 3730 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [1,1,0,0,0,0|0,0,2]=4 3731 B7R0.5 C[C@H](O)[C@@H](N)CC=C Amb25264318 [1,1,0,0,0,0|2,0,0]=4 3732 B7R0.5 C[C@H](O)[C@H](C)CCO Amb25143027 [1,1,0,0,0,0|0,0,1]=3 3733 B7R0.5 C[C@H](O)[C@H](N)CC=C Amb24454742 [1,1,0,0,0,0|2,0,0]=4 3734 B7R0.5 C[C@H](OC=O)[C@H](C)Br Amb25061373 [1,1,0,0,0,0|2,0,0]=4 3735 B7R0.5 C[C@H](\C=C/Cl)[C@@H](C)O Amb24526763 [1,1,0,0,0,0|1,0,1]=4 3736 B7R0.5 C[C@H](\C=C/Cl)[C@H](C)O Amb25331248 [1,1,0,0,0,0|1,0,1]=4 3737 B7R0.5 C\C=C\[C@@H](C)[C@H](C)O Amb25056250 [1,1,0,0,0,0|1,0,1]=4 3738 B7R0.5 NC(O)C(O)CCO Amb24505849 [1,1,0,0,0,0|1,0,1]=4 3739 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [1,1,0,0,0,0|1,0,1]=4 3740 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [1,1,0,0,0,0|1,0,1]=4 3741 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [1,1,0,0,0,0|1,0,1]=4 3742 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [1,1,0,0,0,0|1,0,1]=4 3743 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [1,1,0,0,0,0|1,0,1]=4 3744 B7R0.5 OC(O)C(O)CCO Amb25806560 [1,1,0,0,0,0|1,0,1]=4 3745 B7R0.7 C=CCC(O)CCO Amb24379908 [1,1,0,0,0,0|2,0,0]=4 3746 B7R0.7 C=CC[C@@H](O)CCO Amb25762096 [1,1,0,0,0,0|2,0,0]=4 3747 B7R0.7 C=CC[C@H](N)CCO Amb25138355 [1,1,0,0,0,0|2,0,0]=4 3748 B7R0.7 C=CC[C@H](O)CCO Amb25219225 [1,1,0,0,0,0|2,0,0]=4 3749 B7R0.7 CC(CC#C)NC=O Amb24573924 [1,1,0,0,0,0|2,0,0]=4 3750 B7R0.7 CC(CC#N)NC=O Amb25830634 [1,1,0,0,0,0|2,0,0]=4 3751 B7R0.7 CC(CC=O)C=C=C Amb25075623 [1,1,0,0,0,0|1,0,1]=4 3752 B7R0.7 CC(CC=O)CC#C Amb25173462 [1,1,0,0,0,0|1,0,0]=3 3753 B7R0.7 CC(CC=O)N=C=S Amb24711439 [1,1,0,0,0,0|0,1,1]=4 3754 B7R0.7 CC(CC=O)N=CS Amb24359143 [1,1,0,0,0,0|0,1,1]=4 3755 B7R0.7 CC(CC=O)N=[N+]=[N-] Amb25780093 [1,1,0,0,0,0|2,0,0]=4 3756 B7R0.7 CC(CC=O)OC=O Amb25319337 [1,1,0,0,0,0|0,0,2]=4 3757 B7R0.7 CC(CC=O)\C=C\Cl Amb24481505 [1,1,0,0,0,0|1,0,1]=4 3758 B7R0.7 CC(CCBr)CC=C Amb25211241 [1,1,0,0,0,0|2,0,0]=4 3759 B7R0.7 CC(CCO)CCBr Amb25108054 [1,1,0,0,0,0|1,0,1]=4 3760 B7R0.7 CC(CCO)CCCl Amb24481342 [1,1,0,0,0,0|1,0,1]=4 3761 B7R0.7 CC(CCO)CCI Amb25262818 [1,1,0,0,0,0|1,0,1]=4 3762 B7R0.7 CC(CCO)CCO Amb17939001 [1,1,0,0,0,0|0,0,1]=3 3763 B7R0.7 CCCC(C)CC=O Amb18641815 [1,1,0,0,0,0|1,0,0]=3 3764 B7R0.7 CCCC(C)CC=S Amb22168291 [1,1,0,0,0,0|1,1,0]=4 3765 B7R0.7 CCCC(C)CCO Amb22733616 [1,1,0,0,0,0|1,0,1]=4 3766 B7R0.7 CCCC(O)CC=O Amb18641890 [1,1,0,0,0,0|2,0,0]=4 3767 B7R0.7 CCCC(S)CC=O Amb24481552 [1,1,0,0,0,0|2,0,0]=4 3768 B7R0.7 CCCN(C)CC=O Amb25820883 [1,1,0,0,0,0|2,0,0]=4 3769 B7R0.7 CCC[C@@H](C)CCO Amb24351627 [1,1,0,0,0,0|1,0,1]=4 3770 B7R0.7 CCC[C@@H](O)CC=O Amb25290213 [1,1,0,0,0,0|2,0,0]=4 3771 B7R0.7 CCC[C@H](C)CC=O Amb24696396 [1,1,0,0,0,0|1,0,0]=3 3772 B7R0.7 CCNC(C)CC=C Amb19015834 [1,1,0,0,0,0|2,0,0]=4 3773 B7R0.7 CCN[C@@H](C)CCO Amb24333122 [1,1,0,0,0,0|1,0,1]=4 3774 B7R0.7 CCOC(C)CC=O Amb25702447 [1,1,0,0,0,0|1,0,0]=3 3775 B7R0.7 CCO[C@@H](C)CCO Amb24619159 [1,1,0,0,0,0|1,0,1]=4 3776 B7R0.7 CCO[C@H](C)CCO Amb25065482 [1,1,0,0,0,0|1,0,1]=4 3777 B7R0.7 CCSC(C)CC=O Amb22232285 [1,1,0,0,0,0|1,0,0]=3 3778 B7R0.7 CN(CC=O)CC#C Amb24456583 [1,1,0,0,0,0|2,0,0]=4 3779 B7R0.7 CN(CC=O)CC=O Amb25335558 [1,1,0,0,0,0|1,0,1]=4 3780 B7R0.7 CNCC(C)CC=C Amb24699091 [1,1,0,0,0,0|2,0,0]=4 3781 B7R0.7 CNCC(CCO)C Amb17569901 [1,1,0,0,0,0|1,0,1]=4 3782 B7R0.7 CNCC(COC)C Amb17569917 [1,1,0,0,0,0|2,0,0]=4 3783 B7R0.7 COCC(Br)CCO Amb25286452 [1,1,0,0,0,0|1,0,1]=4 3784 B7R0.7 COCC(C)CC=C Amb25662892 [1,1,0,0,0,0|1,0,0]=3 3785 B7R0.7 COCC(C)CC=O Amb24761492 [1,1,0,0,0,0|0,0,0]=2 3786 B7R0.7 COCC(C)CCO Amb24604394 [1,1,0,0,0,0|0,0,1]=3 3787 B7R0.7 COCC(C)N=C=O Amb23598696 [1,1,0,0,0,0|1,0,1]=4 3788 B7R0.7 COCC(C)OC=C Amb24556890 [1,1,0,0,0,0|2,0,0]=4 3789 B7R0.7 COCC(CCN)C Amb17569914 [1,1,0,0,0,0|1,0,1]=4 3790 B7R0.7 COCC(N)CC=C Amb19018008 [1,1,0,0,0,0|2,0,0]=4 3791 B7R0.7 COCC(N)CCO Amb19338150 [1,1,0,0,0,0|1,0,1]=4 3792 B7R0.7 COCC(O)CC=C Amb25222392 [1,1,0,0,0,0|2,0,0]=4 3793 B7R0.7 COCC(O)CC=O Amb25696549 [1,1,0,0,0,0|1,0,0]=3 3794 B7R0.7 COCC(O)CCO Amb23512858 [1,1,0,0,0,0|1,0,1]=4 3795 B7R0.7 COC[C@@H](O)CCO Amb25086103 [1,1,0,0,0,0|1,0,1]=4 3796 B7R0.7 CSCC(C)NC=O Amb25138963 [1,1,0,0,0,0|1,1,0]=4 3797 B7R0.7 C[C@@H](CC=O)CC#C Amb24419911 [1,1,0,0,0,0|1,0,0]=3 3798 B7R0.7 C[C@@H](CC=O)OC=O Amb25678564 [1,1,0,0,0,0|0,0,2]=4 3799 B7R0.7 C[C@@H](CCO)CC#C Amb25788479 [1,1,0,0,0,0|1,0,1]=4 3800 B7R0.7 C[C@@H](CCO)CC=C Amb25332119 [1,1,0,0,0,0|1,0,0]=3 3801 B7R0.7 C[C@@H](CCO)CCBr Amb24662335 [1,1,0,0,0,0|1,0,1]=4 3802 B7R0.7 C[C@H](CCO)CC=C Amb24575596 [1,1,0,0,0,0|1,0,0]=3 3803 B7R0.7 C\C(\CC=C)=C\CO Amb24363583 [1,1,0,0,0,0|1,0,1]=4 3804 B7R0.7 C\C=C\C(C)CC=O Amb25366468 [1,1,0,0,0,0|1,0,1]=4 3805 B7R0.7 NC(CC=O)CC=O Amb25349657 [1,1,0,0,0,0|1,0,1]=4 3806 B7R0.7 NC(CCO)CCO Amb22491262 [1,1,0,0,0,0|1,0,1]=4 3807 B7R0.7 NC(CCO)CCO Amb25324048 [1,1,0,0,0,0|1,0,1]=4 3808 B7R0.7 NCCC(CCO)C Amb17569905 [1,1,0,0,0,0|1,0,1]=4 3809 B7R0.7 O=CCC(CC=O)C Amb17593183 [1,1,0,0,0,0|0,0,1]=3 3810 B7R0.7 OC(CC=O)CC=O Amb18641864 [1,1,0,0,0,0|1,0,1]=4 3811 B7R0.7 OCCC(CCO)O Amb17593226 [1,1,0,0,0,0|1,0,1]=4 3812 B7R0.7 OCCN(CC=C)C Amb10570005 [1,1,0,0,0,0|2,0,0]=4 3813 B7R0.10 C=CC(Cl)C(O)CO Amb24443794 [1,1,0,0,0,0|2,0,0]=4 3814 B7R0.10 C=CC(N)C(O)CO Amb18641922 [1,1,0,0,0,0|2,0,0]=4 3815 B7R0.10 C=CC(O)C(O)CO Amb25082759 [1,1,0,0,0,0|2,0,0]=4 3816 B7R0.10 C=CC(O)[C@H](O)CO Amb25716025 [1,1,0,0,0,0|2,0,0]=4 3817 B7R0.10 C=C[C@@H](N)[C@@H](O)CO Amb24655125 [1,1,0,0,0,0|2,0,0]=4 3818 B7R0.10 C=C[C@@H](O)[C@@H](N)CO Amb24120616 [1,1,0,0,0,0|2,0,0]=4 3819 B7R0.10 C=C[C@H](F)[C@@H](O)CO Amb25317504 [1,1,0,0,0,0|2,0,0]=4 3820 B7R0.10 C=C[C@H](N)[C@@H](O)CO Amb25727169 [1,1,0,0,0,0|2,0,0]=4 3821 B7R0.10 C=C[C@H](O)[C@@H](O)CO Amb25280157 [1,1,0,0,0,0|2,0,0]=4 3822 B7R0.10 CC(C=C)C(O)CO Amb24749640 [1,1,0,0,0,0|2,0,0]=4 3823 B7R0.10 CC(C=O)C(C)C=O Amb18641795 [1,1,0,0,0,0|0,0,2]=4 3824 B7R0.10 CC(C=O)C(S)CC Amb22229341 [1,1,0,0,0,0|2,0,0]=4 3825 B7R0.10 CC(C=O)[C@H](O)CC Amb25827452 [1,1,0,0,0,0|2,0,0]=4 3826 B7R0.10 CC(CC)C(Cl)C=O Amb25274320 [1,1,0,0,0,0|1,0,0]=3 3827 B7R0.10 CC(CC)C(Cl)CO Amb25337095 [1,1,0,0,0,0|1,0,1]=4 3828 B7R0.10 CC(CC)C(F)C=O Amb24334085 [1,1,0,0,0,0|1,0,0]=3 3829 B7R0.10 CC(CC)C(F)CO Amb25044467 [1,1,0,0,0,0|1,0,1]=4 3830 B7R0.10 CC(CC)C(N)CO Amb19267092 [1,1,0,0,0,0|1,0,1]=4 3831 B7R0.10 CC(CC)C(O)C=C Amb25139404 [1,1,0,0,0,0|2,0,0]=4 3832 B7R0.10 CC(CC)C(O)CO Amb24122822 [1,1,0,0,0,0|1,0,1]=4 3833 B7R0.10 CC(CC)[C@@H](N)CO Amb18015117 [1,1,0,0,0,0|1,0,1]=4 3834 B7R0.10 CC(CC)[C@@H](N)CO Amb22800764 [1,1,0,0,0,0|1,0,1]=4 3835 B7R0.10 CC(CC)[C@H](O)CO Amb25331134 [1,1,0,0,0,0|1,0,1]=4 3836 B7R0.10 CC(CCl)N(C)C=O Amb25267370 [1,1,0,0,0,0|2,0,0]=4 3837 B7R0.10 CC(CN)C(O)C=C Amb25285273 [1,1,0,0,0,0|2,0,0]=4 3838 B7R0.10 CC(CN)C(O)CO Amb25843290 [1,1,0,0,0,0|1,0,1]=4 3839 B7R0.10 CC(CO)C(=C)CO Amb25832740 [1,1,0,0,0,0|0,0,2]=4 3840 B7R0.10 CC(CO)C(=O)C=C Amb25370664 [1,1,0,0,0,0|1,0,1]=4 3841 B7R0.10 CC(CO)C(N)C=C Amb24482467 [1,1,0,0,0,0|1,0,0]=3 3842 B7R0.10 CC(CO)C(O)C#C Amb25845326 [1,1,0,0,0,0|1,0,1]=4 3843 B7R0.10 CC(CO)C(O)CC Amb24461954 [1,1,0,0,0,0|1,0,1]=4 3844 B7R0.10 CC(CO)C(O)CCl Amb25783961 [1,1,0,0,0,0|1,0,1]=4 3845 B7R0.10 CC(CO)C(S)CC Amb19515875 [1,1,0,0,0,0|1,0,1]=4 3846 B7R0.10 CC(CO)N(C)C=O Amb25803142 [1,1,0,0,0,0|1,0,0]=3 3847 B7R0.10 CC(CO)N(C)N=O Amb25109586 [1,1,0,0,0,0|2,0,0]=4 3848 B7R0.10 CC(CO)N(O)N=O Amb24367422 [1,1,0,0,0,0|2,0,0]=4 3849 B7R0.10 CC(N=O)C(C)CCl Amb25203978 [1,1,0,0,0,0|2,0,0]=4 3850 B7R0.10 CC(NC)C(C)CO Amb25278153 [1,1,0,0,0,0|2,0,0]=4 3851 B7R0.10 CC(OC)C(C)C=O Amb18641882 [1,1,0,0,0,0|2,0,0]=4 3852 B7R0.10 CC(SC)C(C)C=O Amb24706814 [1,1,0,0,0,0|2,0,0]=4 3853 B7R0.10 CC(SC)C(C)CO Amb24529334 [1,1,0,0,0,0|2,0,0]=4 3854 B7R0.10 CCC(C(C=O)C)O Amb17593201 [1,1,0,0,0,0|2,0,0]=4 3855 B7R0.10 CCC(C)C(=C)C=O Amb18641701 [1,1,0,0,0,0|1,0,1]=4 3856 B7R0.10 CCC(C)C(=O)C=O Amb24481549 [1,1,0,0,0,0|1,0,1]=4 3857 B7R0.10 CCC(C)C(C)C=C Amb22229051 [1,1,0,0,0,0|2,0,0]=4 3858 B7R0.10 CCC(C)C(C)C=O Amb18641810 [1,1,0,0,0,0|1,0,0]=3 3859 B7R0.10 CCC(C)C(C)NO Amb25237205 [1,1,0,0,0,0|2,0,0]=4 3860 B7R0.10 CC[C@@H](C)[C@@H](N)CO Amb17678825 [1,1,0,0,0,0|1,0,1]=4 3861 B7R0.10 CC[C@@H](C)[C@H](C)C=O Amb25062588 [1,1,0,0,0,0|1,0,0]=3 3862 B7R0.10 C[C@@H](C=C)[C@H](C)CO Amb24733215 [1,1,0,0,0,0|1,0,0]=3 3863 B7R0.10 C[C@@H](C=C)[C@H](O)CO Amb25045441 [1,1,0,0,0,0|2,0,0]=4 3864 B7R0.10 C[C@@H](C=O)[C@@H](C)C=O Amb25827162 [1,1,0,0,0,0|0,0,2]=4 3865 B7R0.10 C[C@@H](C=O)[C@H](O)CC Amb25223087 [1,1,0,0,0,0|2,0,0]=4 3866 B7R0.10 C[C@@H](CC)C(O)CO Amb24579493 [1,1,0,0,0,0|1,0,1]=4 3867 B7R0.10 C[C@@H](CC)[C@H](Cl)C=O Amb24533977 [1,1,0,0,0,0|1,0,0]=3 3868 B7R0.10 C[C@@H](CC)[C@H](O)CO Amb25189052 [1,1,0,0,0,0|1,0,1]=4 3869 B7R0.10 C[C@@H](CO)[C@@H](S)CC Amb24462041 [1,1,0,0,0,0|1,0,1]=4 3870 B7R0.10 C[C@@H](CO)[C@H](C)CBr Amb24483094 [1,1,0,0,0,0|1,0,1]=4 3871 B7R0.10 C[C@@H](CO)[C@H](O)CC Amb24361979 [1,1,0,0,0,0|1,0,1]=4 3872 B7R0.10 C[C@@H](CO)[C@H](S)CC Amb24620866 [1,1,0,0,0,0|1,0,1]=4 3873 B7R0.10 C[C@@H](OC)[C@@H](C)C=O Amb25372033 [1,1,0,0,0,0|2,0,0]=4 3874 B7R0.10 C[C@H](C=C)[C@H](O)CO Amb25802112 [1,1,0,0,0,0|2,0,0]=4 3875 B7R0.10 C[C@H](C=O)C(O)CC Amb25294541 [1,1,0,0,0,0|2,0,0]=4 3876 B7R0.10 C[C@H](C=O)[C@@H](C)C=O Amb25827161 [1,1,0,0,0,0|0,0,2]=4 3877 B7R0.10 C[C@H](C=O)[C@@H](C)CO Amb24418439 [1,1,0,0,0,0|0,0,0]=2 3878 B7R0.10 C[C@H](C=O)[C@@H](O)C=O Amb24502787 [1,1,0,0,0,0|0,0,2]=4 3879 B7R0.10 C[C@H](C=O)[C@H](C)C=O Amb24482506 [1,1,0,0,0,0|0,0,2]=4 3880 B7R0.10 C[C@H](C=O)[C@H](O)CC Amb25780605 [1,1,0,0,0,0|2,0,0]=4 3881 B7R0.10 C[C@H](CC)[C@@H](N)C=O Amb24731395 [1,1,0,0,0,0|1,0,0]=3 3882 B7R0.10 C[C@H](CC)[C@@H](O)CO Amb24363829 [1,1,0,0,0,0|1,0,1]=4 3883 B7R0.10 C[C@H](CC)[C@H](N)CO Amb25081749 [1,1,0,0,0,0|1,0,1]=4 3884 B7R0.10 C[C@H](CO)[C@@H](O)C=C Amb25801976 [1,1,0,0,0,0|1,0,0]=3 3885 B7R0.10 C[C@H](CO)[C@H](O)CC Amb24398245 [1,1,0,0,0,0|1,0,1]=4 3886 B7R0.10 C[C@H](CO)[C@H](O)CO Amb25357327 [1,1,0,0,0,0|0,0,1]=3 3887 B7R0.10 C[C@H](OC)[C@@H](C)C=O Amb24741787 [1,1,0,0,0,0|2,0,0]=4 3888 B7R0.10 C[C@H](OC)[C@H](C)C=O Amb24759162 [1,1,0,0,0,0|2,0,0]=4 3889 B7R0.10 NC(CO)C(N)CO Amb24743310 [1,1,0,0,0,0|1,0,1]=4 3890 B7R0.10 NC(CO)C(O)CO Amb18641994 [1,1,0,0,0,0|1,0,1]=4 3891 B7R0.10 N[C@@H](CO)[C@@H](O)CO Amb25772184 [1,1,0,0,0,0|1,0,1]=4 3892 B7R0.10 N[C@H](CO)[C@H](O)CO Amb25809433 [1,1,0,0,0,0|1,0,1]=4 3893 B7R0.10 OC(CCl)C(Cl)C=O Amb24575269 [1,1,0,0,0,0|2,0,0]=4 3894 B7R0.10 OC(CO)C(Br)CO Amb25376569 [1,1,0,0,0,0|1,0,1]=4 3895 B7R0.10 OCC(C(CO)C)C Amb17593215 [1,1,0,0,0,0|0,0,1]=3 3896 B7R0.10 OCC(O)[C@H](O)C=O Amb25733091 [1,1,0,0,0,0|1,0,0]=3 3897 B7R0.10 OC[C@@H](O)C(O)C=O Amb24481538 [1,1,0,0,0,0|1,0,0]=3 3898 B7R0.10 OC[C@@H](O)[C@H](O)C=O Amb22746428 [1,1,0,0,0,0|1,0,0]=3 3899 B7R0.10 OC[C@@H](S)[C@H](S)CO Amb25810678 [1,1,0,0,0,0|1,0,1]=4 3900 B7R0.10 OC[C@H](Cl)[C@@H](Cl)CO Amb24483150 [1,1,0,0,0,0|1,0,1]=4 3901 B7R0.10 OC[C@H](F)[C@H](F)CO Amb24505181 [1,1,0,0,0,0|1,0,1]=4 3902 B7R0.10 OC[C@H](O)[C@@H](O)C=O Amb24481533 [1,1,0,0,0,0|1,0,0]=3 3903 B7R0.10 OC[C@H](O)[C@H](O)C=O Amb25839823 [1,1,0,0,0,0|1,0,0]=3 3904 B7R0.10 O[C@@H](CO)C(O)CO Amb25682221 [1,1,0,0,0,0|1,0,1]=4 3905 B7R0.10 O[C@@H](CO)[C@H](Br)CO Amb25359607 [1,1,0,0,0,0|1,0,1]=4 3906 B7R0.10 O[C@H](CO)[C@@H](S)CO Amb24407455 [1,1,0,0,0,0|1,0,1]=4 3907 B7R0.10 O[C@H](CO)[C@H](O)CO Amb20242423 [1,1,0,0,0,0|1,0,1]=4 3908 B7R0.11 C=CCC(F)(F)CO Amb24117154 [1,1,0,0,0,0|2,0,0]=4 3909 B7R0.11 CC(C)(CBr)CC=C Amb25853098 [1,1,0,0,0,0|2,0,0]=4 3910 B7R0.11 CC(C)(CC=O)C#C Amb25685970 [1,1,0,0,0,0|1,0,1]=4 3911 B7R0.11 CC(C)(CC=O)C=O Amb24693401 [1,1,0,0,0,0|0,0,2]=4 3912 B7R0.11 CC(C)(CCl)CC=C Amb24630347 [1,1,0,0,0,0|2,0,0]=4 3913 B7R0.11 CC(C)(CCl)OC=O Amb24481457 [1,1,0,0,0,0|2,0,0]=4 3914 B7R0.11 CC(C)(CN)CC=C Amb18641743 [1,1,0,0,0,0|2,0,0]=4 3915 B7R0.11 CC(C)(CNO)CO Amb25786898 [1,1,0,0,0,0|1,0,0]=3 3916 B7R0.11 CC(C)(CO)C=NO Amb25801878 [1,1,0,0,0,0|1,0,1]=4 3917 B7R0.11 CC(C)(CO)CC#C Amb22235079 [1,1,0,0,0,0|1,0,1]=4 3918 B7R0.11 CC(C)(CO)CC#N Amb18641735 [1,1,0,0,0,0|1,0,1]=4 3919 B7R0.11 CC(C)(CO)CC=C Amb21858875 [1,1,0,0,0,0|1,0,0]=3 3920 B7R0.11 CC(C)(CO)CC=O Amb24481534 [1,1,0,0,0,0|0,0,0]=2 3921 B7R0.11 CC(C)(CO)CCCl Amb24481341 [1,1,0,0,0,0|1,0,1]=4 3922 B7R0.11 CC(C)(CO)NCO Amb25073524 [1,1,0,0,0,0|1,0,1]=4 3923 B7R0.11 CC(F)(CBr)CCO Amb24422557 [1,1,0,0,0,0|1,0,1]=4 3924 B7R0.11 CC(N)(CCO)CO Amb18124265 [1,1,0,0,0,0|0,0,1]=3 3925 B7R0.11 CC(N)(CI)CCO Amb24744706 [1,1,0,0,0,0|1,0,1]=4 3926 B7R0.11 CC(O)(CC=C)CO Amb24332903 [1,1,0,0,0,0|1,0,0]=3 3927 B7R0.11 CC(O)(CC=O)C#C Amb25347710 [1,1,0,0,0,0|1,0,1]=4 3928 B7R0.11 CC(O)(CC=O)C=C Amb18641784 [1,1,0,0,0,0|1,0,1]=4 3929 B7R0.11 CC(O)(CCO)CO Amb24082585 [1,1,0,0,0,0|0,0,1]=3 3930 B7R0.11 CC(O)(CCl)CC=C Amb25073777 [1,1,0,0,0,0|2,0,0]=4 3931 B7R0.11 CC(O)(CN)CC=C Amb24483166 [1,1,0,0,0,0|2,0,0]=4 3932 B7R0.11 CCC(C)(C)CC=C Amb17674170 [1,1,0,0,0,0|2,0,0]=4 3933 B7R0.11 CCC(C)(F)CCO Amb24407411 [1,1,0,0,0,0|1,0,1]=4 3934 B7R0.11 CCC(C)(N)CC=C Amb25849362 [1,1,0,0,0,0|2,0,0]=4 3935 B7R0.11 CCC(C)(N)CCO Amb20669289 [1,1,0,0,0,0|1,0,1]=4 3936 B7R0.11 CCC(C)(O)CCO Amb25204241 [1,1,0,0,0,0|1,0,1]=4 3937 B7R0.11 CCC(CC=O)(C)C Amb10572829 [1,1,0,0,0,0|1,0,0]=3 3938 B7R0.11 CCC(O)(O)CC=O Amb25733093 [1,1,0,0,0,0|2,0,0]=4 3939 B7R0.11 CCCC(C)(N)CO Amb18971950 [1,1,0,0,0,0|1,0,1]=4 3940 B7R0.11 CCCC(C)(O)CO Amb24116808 [1,1,0,0,0,0|1,0,1]=4 3941 B7R0.11 CCCC(C)(S)CO Amb24061273 [1,1,0,0,0,0|1,0,1]=4 3942 B7R0.11 CCC[C@](C)(O)CO Amb25142971 [1,1,0,0,0,0|1,0,1]=4 3943 B7R0.11 CC[C@](C)(O)CCO Amb25080405 [1,1,0,0,0,0|1,0,1]=4 3944 B7R0.11 CNCC(C)(N)CO Amb24648739 [1,1,0,0,0,0|2,0,0]=4 3945 B7R0.11 CNC[C@](C)(O)CO Amb24451304 [1,1,0,0,0,0|2,0,0]=4 3946 B7R0.11 COC(C)(C)CC=O Amb25715607 [1,1,0,0,0,0|2,0,0]=4 3947 B7R0.11 COCC(C)(C)CO Amb21858003 [1,1,0,0,0,0|2,0,0]=4 3948 B7R0.11 COCC(C)(N)CO Amb18299141 [1,1,0,0,0,0|2,0,0]=4 3949 B7R0.11 COC[C@@](C)(O)CO Amb25025414 [1,1,0,0,0,0|2,0,0]=4 3950 B7R0.11 COC[C@](C)(O)CO Amb24502235 [1,1,0,0,0,0|2,0,0]=4 3951 B7R0.11 CSCC(C)(C)CO Amb24430385 [1,1,0,0,0,0|2,0,0]=4 3952 B7R0.11 CSCC(C)(N)CO Amb25703161 [1,1,0,0,0,0|2,0,0]=4 3953 B7R0.11 C[C@@](N)(CO)CC=C Amb25121415 [1,1,0,0,0,0|1,0,0]=3 3954 B7R0.11 C[C@](N)(CO)CC=C Amb25162792 [1,1,0,0,0,0|1,0,0]=3 3955 B7R0.11 C[C@](O)(CC=C)CO Amb25346292 [1,1,0,0,0,0|1,0,0]=3 3956 B7R0.11 C\C=C\C(C)(C)CO Amb24534022 [1,1,0,0,0,0|1,0,1]=4 3957 B7R0.11 NCCC(CO)(C)C Amb17569909 [1,1,0,0,0,0|1,0,1]=4 3958 B7R0.11 O=CCC(C#N)(C)C Amb10071050 [1,1,0,0,0,0|1,0,1]=4 3959 B7R0.11 O=CCC(C=C)(C)C Amb17593166 [1,1,0,0,0,0|1,0,1]=4 3960 B7R0.11 OCCC(CC)(C)C Amb10572828 [1,1,0,0,0,0|1,0,1]=4 3961 B7R0.11 OCCC(CN)(C)C Amb17569910 [1,1,0,0,0,0|1,0,1]=4 3962 B7R0.12 C#CC(CO)OC=O Amb25687851 [1,1,0,0,0,0|1,0,1]=4 3963 B7R0.12 C#CCC(CO)CO Amb25275583 [1,1,0,0,0,0|1,0,1]=4 3964 B7R0.12 C=CC(CCO)CO Amb25219482 [1,1,0,0,0,0|0,0,2]=4 3965 B7R0.12 C=CC(CO)CC=C Amb25832441 [1,1,0,0,0,0|1,0,1]=4 3966 B7R0.12 C=CCC(CN)CO Amb18641843 [1,1,0,0,0,0|1,0,0]=3 3967 B7R0.12 C=CCC(CO)C=O Amb18641802 [1,1,0,0,0,0|1,0,1]=4 3968 B7R0.12 C=CCC(CO)CCl Amb24481442 [1,1,0,0,0,0|1,0,0]=3 3969 B7R0.12 C=CCC(CO)CO Amb24450577 [1,1,0,0,0,0|1,0,0]=3 3970 B7R0.12 CCC(CC)NC=O Amb25293037 [1,1,0,0,0,0|2,0,0]=4 3971 B7R0.12 CCC(CC=C)CC Amb25358315 [1,1,0,0,0,0|2,0,0]=4 3972 B7R0.12 CCC(CC=C)NC Amb19015833 [1,1,0,0,0,0|2,0,0]=4 3973 B7R0.12 CCC(CC=O)C=C Amb24483045 [1,1,0,0,0,0|1,0,1]=4 3974 B7R0.12 CCC(CC=O)C=O Amb18641787 [1,1,0,0,0,0|0,0,2]=4 3975 B7R0.12 CCC(CC=O)CC Amb20669521 [1,1,0,0,0,0|1,0,0]=3 3976 B7R0.12 CCC(CC=O)OC Amb25282646 [1,1,0,0,0,0|1,0,0]=3 3977 B7R0.12 CCC(CCO)CO Amb25069540 [1,1,0,0,0,0|0,0,1]=3 3978 B7R0.12 CCC(CCO)SC Amb25106045 [1,1,0,0,0,0|1,0,1]=4 3979 B7R0.12 CCC(CF)CCO Amb25043718 [1,1,0,0,0,0|1,0,1]=4 3980 B7R0.12 CCC(CN)CC=C Amb18641746 [1,1,0,0,0,0|2,0,0]=4 3981 B7R0.12 CCC(CN)CCO Amb20622423 [1,1,0,0,0,0|1,0,1]=4 3982 B7R0.12 CCC(CNO)CC Amb24612926 [1,1,0,0,0,0|2,0,0]=4 3983 B7R0.12 CCC(CO)CC#C Amb25058559 [1,1,0,0,0,0|1,0,1]=4 3984 B7R0.12 CCC(CO)CC#N Amb18641732 [1,1,0,0,0,0|1,0,1]=4 3985 B7R0.12 CCC(CO)N=C=O Amb25737384 [1,1,0,0,0,0|1,0,1]=4 3986 B7R0.12 CCCC(CO)CBr Amb24483229 [1,1,0,0,0,0|1,0,1]=4 3987 B7R0.12 CCCC(CO)CS Amb25761943 [1,1,0,0,0,0|1,0,1]=4 3988 B7R0.12 CCCC(CO)NC Amb19009091 [1,1,0,0,0,0|1,0,1]=4 3989 B7R0.12 CCN(CC=O)CC Amb24612738 [1,1,0,0,0,0|2,0,0]=4 3990 B7R0.12 CC[C@@H](CC=O)OC Amb25767800 [1,1,0,0,0,0|1,0,0]=3 3991 B7R0.12 CC[C@@H](CO)NC=O Amb24392485 [1,1,0,0,0,0|1,0,0]=3 3992 B7R0.12 CC[C@H](CC=O)OC Amb24662279 [1,1,0,0,0,0|1,0,0]=3 3993 B7R0.12 CC[C@H](CCO)OC Amb24554881 [1,1,0,0,0,0|1,0,1]=4 3994 B7R0.12 CC[C@H](CO)CCC Amb25239995 [1,1,0,0,0,0|1,0,1]=4 3995 B7R0.12 CC[C@H](CO)COC Amb25207907 [1,1,0,0,0,0|2,0,0]=4 3996 B7R0.12 CC[C@H](CO)N=C=O Amb25064467 [1,1,0,0,0,0|1,0,1]=4 3997 B7R0.12 CNCC(CO)CO Amb25031290 [1,1,0,0,0,0|2,0,0]=4 3998 B7R0.12 CN[C@H](CCO)CO Amb24402324 [1,1,0,0,0,0|0,0,1]=3 3999 B7R0.12 CN[C@H](CO)CC=C Amb25330737 [1,1,0,0,0,0|1,0,0]=3 4000 B7R0.12 COC(CC=O)C=C Amb18641792 [1,1,0,0,0,0|1,0,1]=4 4001 B7R0.12 COC(CC=O)C=O Amb25247032 [1,1,0,0,0,0|0,0,2]=4 4002 B7R0.12 COC(CO)CCN Amb24658720 [1,1,0,0,0,0|1,0,1]=4 4003 B7R0.12 COC(CO)COC Amb24288652 [1,1,0,0,0,0|2,0,0]=4 4004 B7R0.12 COC(CO)\C=C/Cl Amb25286355 [1,1,0,0,0,0|1,0,1]=4 4005 B7R0.12 CO[C@@H](CCO)CO Amb24544061 [1,1,0,0,0,0|0,0,1]=3 4006 B7R0.12 CO[C@@H](CO)COC Amb25332375 [1,1,0,0,0,0|2,0,0]=4 4007 B7R0.12 CSC(CO)CSC Amb24524281 [1,1,0,0,0,0|2,0,0]=4 4008 B7R0.12 CSCC(CO)CO Amb24505164 [1,1,0,0,0,0|2,0,0]=4 4009 B7R0.12 C\C=C(/CCO)\CO Amb24698653 [1,1,0,0,0,0|0,0,2]=4 4010 B7R0.12 NCC(CCO)CO Amb24658240 [1,1,0,0,0,0|0,0,1]=3 4011 B7R0.12 NCCC(CO)CF Amb25364446 [1,1,0,0,0,0|1,0,1]=4 4012 B7R0.12 O=CCC(CF)CF Amb24518773 [1,1,0,0,0,0|1,0,0]=3 4013 B7R0.12 OCC(CC=O)CO Amb24483029 [1,1,0,0,0,0|0,0,0]=2 4014 B7R0.12 OCC(CCBr)CO Amb18522292 [1,1,0,0,0,0|1,0,1]=4 4015 B7R0.12 OCC(CCBr)CO Amb24060808 [1,1,0,0,0,0|1,0,1]=4 4016 B7R0.12 OCC(CCl)OC=O Amb24425487 [1,1,0,0,0,0|1,0,0]=3 4017 B7R0.12 OCCC(CC)CC Amb17593204 [1,1,0,0,0,0|1,0,1]=4 4018 B7R0.12 OC[C@H](CS)NC=O Amb24674158 [1,1,0,0,0,0|1,0,0]=3 4019 B7R0.9 CC(=C)CC(C)(C)O Amb22052674 [1,1,0,0,0,0|2,0,0]=4 4020 B7R0.9 CC(=O)CC(C)(C)F Amb25758912 [1,1,0,0,0,0|1,0,0]=3 4021 B7R0.9 CC(=O)CC(C)(F)F Amb21951914 [1,1,0,0,0,0|2,0,0]=4 4022 B7R0.9 CC(=O)CC(C)(S)S Amb25767704 [1,1,0,0,0,0|1,1,0]=4 4023 B7R0.9 CC(=O)CC(S)(C)C Amb17593394 [1,1,0,0,0,0|1,0,0]=3 4024 B7R0.9 CC(=O)CP(C)(C)=O Amb25370726 [1,1,0,0,0,0|2,0,0]=4 4025 B7R0.9 CC(=O)C[Si](C)(C)C Amb24411725 [1,1,0,0,0,0|1,1,0]=4 4026 B7R0.9 CC(=O)SC(C)(C)C Amb22231459 [1,1,0,0,0,0|2,0,0]=4 4027 B7R0.9 CC(C)(C)CC(N)=N Amb25336905 [1,1,0,0,0,0|2,0,0]=4 4028 B7R0.9 CC(C)(C)CS(O)=O Amb24614665 [1,1,0,0,0,0|1,0,0]=3 4029 B7R0.9 CC(C)(C)NC(=O)Cl Amb25770497 [1,1,0,0,0,0|2,0,0]=4 4030 B7R0.9 CC(C)(C)NC(=O)F Amb25350572 [1,1,0,0,0,0|2,0,0]=4 4031 B7R0.9 CC(C)(C)OC(=O)F Amb25241785 [1,1,0,0,0,0|2,0,0]=4 4032 B7R0.9 CC(C)(C)OC([O-])=O Amb22731240 [1,1,0,0,0,0|1,0,1]=4 4033 B7R0.9 CC(C)(C)SC(=O)Cl Amb22353785 [1,1,0,0,0,0|2,0,0]=4 4034 B7R0.9 CC(C)(C)SC(N)=O Amb25365837 [1,1,0,0,0,0|2,0,0]=4 4035 B7R0.9 CC(C)(N)CC(N)=O Amb23402094 [1,1,0,0,0,0|1,0,0]=3 4036 B7R0.9 CC(C)(N)CC(N)=O Amb24271090 [1,1,0,0,0,0|1,0,0]=3 4037 B7R0.9 CC(C)(N)CC(O)=O Amb19267108 [1,1,0,0,0,0|0,0,0]=2 4038 B7R0.9 CC(C)(O)CC(N)=S Amb24711517 [1,1,0,0,0,0|1,1,0]=4 4039 B7R0.9 CC(C)(O)CC(O)O Amb25115429 [1,1,0,0,0,0|0,0,2]=4 4040 B7R0.9 CC(C)(O)CC([O-])=O Amb17678748 [1,1,0,0,0,0|0,0,1]=3 4041 B7R0.9 CC(C)(O)CC([O-])=O Amb22729769 [1,1,0,0,0,0|0,0,1]=3 4042 B7R0.9 CC(C)CS(=O)(=O)Br Amb23555503 [1,1,0,0,0,0|1,0,1]=4 4043 B7R0.9 CC(C)CS(=O)(=O)F Amb19893332 [1,1,0,0,0,0|1,0,1]=4 4044 B7R0.9 CC(C)CS(C)(=O)=O Amb25106217 [1,1,0,0,0,0|1,0,1]=4 4045 B7R0.9 CC(C)CS([O-])(=O)=O Amb24423773 [1,1,0,0,0,0|1,0,1]=4 4046 B7R0.9 CC(C)OP(O)(O)=O Amb22493772 [1,1,0,0,0,0|2,0,0]=4 4047 B7R0.9 CC(CS(=O)(=O)N)C Amb13951979 [1,1,0,0,0,0|1,0,1]=4 4048 B7R0.9 CC(CS(=O)(=O)O)O Amb17593541 [1,1,0,0,0,0|1,0,0]=3 4049 B7R0.9 CC(Cl)CP(O)(O)=O Amb25169519 [1,1,0,0,0,0|2,0,0]=4 4050 B7R0.9 CC(N)CP(C)(O)=O Amb24482995 [1,1,0,0,0,0|2,0,0]=4 4051 B7R0.9 CC(O)CC(C)(C)Br Amb25842064 [1,1,0,0,0,0|1,0,1]=4 4052 B7R0.9 CC(O)CC(C)(C)C Amb22337936 [1,1,0,0,0,0|1,0,1]=4 4053 B7R0.9 CC(O)CC(C)(C)Cl Amb25234407 [1,1,0,0,0,0|1,0,1]=4 4054 B7R0.9 CC(O)CC(C)(C)S Amb22047633 [1,1,0,0,0,0|1,0,1]=4 4055 B7R0.9 CC(O)CS(=O)(=O)Cl Amb25032356 [1,1,0,0,0,0|1,0,1]=4 4056 B7R0.9 CC(O)CS(C)(=O)=O Amb21988449 [1,1,0,0,0,0|1,0,1]=4 4057 B7R0.9 CC(OP(=O)(O)C)C Amb10842159 [1,1,0,0,0,0|2,0,0]=4 4058 B7R0.9 CC(S)CS(O)(=O)=O Amb24543740 [1,1,0,0,0,0|1,1,0]=4 4059 B7R0.9 CN(C)(C)CC(O)=O Amb22343422 [1,1,0,0,0,0|1,0,0]=3 4060 B7R0.9 CP(C)(=O)CC(O)=O Amb25197683 [1,1,0,0,0,0|1,0,0]=3 4061 B7R0.9 CS(C)(Br)CC(O)=O Amb25829058 [1,1,0,0,0,0|1,0,0]=3 4062 B7R0.9 C[As+](C)(C)CC([O-])=O Amb22347917 [1,1,0,0,0,0|1,0,1]=4 4063 B7R0.9 C[C@@H](N)CP(C)(O)=O Amb24460368 [1,1,0,0,0,0|2,0,0]=4 4064 B7R0.9 C[C@@H](N)CP(O)(O)=O Amb25338674 [1,1,0,0,0,0|2,0,0]=4 4065 B7R0.9 C[C@@H](N)CS(O)(=O)=O Amb24670475 [1,1,0,0,0,0|2,0,0]=4 4066 B7R0.9 C[C@@H](O)CC(C)(C)C Amb24544035 [1,1,0,0,0,0|1,0,1]=4 4067 B7R0.9 C[C@@H](O)CC(C)(C)S Amb25333750 [1,1,0,0,0,0|1,0,1]=4 4068 B7R0.9 C[C@@H](O)CP(O)(O)=O Amb24334038 [1,1,0,0,0,0|1,0,0]=3 4069 B7R0.9 C[C@H](CC(O)(C)C)O Amb10606102 [1,1,0,0,0,0|1,0,1]=4 4070 B7R0.9 C[C@H](N)CS(O)(=O)=O Amb25760668 [1,1,0,0,0,0|2,0,0]=4 4071 B7R0.9 C[C@H](O)CC(C)(C)C Amb24672407 [1,1,0,0,0,0|1,0,1]=4 4072 B7R0.9 C[C@H](O)CC(C)(C)O Amb20669803 [1,1,0,0,0,0|1,0,1]=4 4073 B7R0.9 C[C@H](O)CC(C)(C)S Amb24457778 [1,1,0,0,0,0|1,0,1]=4 4074 B7R0.9 C[C@H](O)CP(O)(O)=O Amb25715996 [1,1,0,0,0,0|1,0,0]=3 4075 B7R0.9 C[N+](C)(C)CC(O)=O Amb22734051 [1,1,0,0,0,0|1,0,0]=3 4076 B7R0.9 C[N+](C)(C)CC([O-])=O Amb22002454 [1,1,0,0,0,0|1,0,1]=4 4077 B7R0.9 C[N+](C)(C)CC([O-])=O Amb22167465 [1,1,0,0,0,0|1,0,1]=4 4078 B7R0.9 C[N+](C)(C)CC([O-])=O Amb22584414 [1,1,0,0,0,0|1,0,1]=4 4079 B7R0.9 C[N+](C)(N)CC(N)=O Amb25361686 [1,1,0,0,0,0|2,0,0]=4 4080 B7R0.9 C[P+](C)(C)CC(O)=O Amb24753800 [1,1,0,0,0,0|1,0,0]=3 4081 B7R0.9 C[Si](C)(C)CC(N)=O Amb24574114 [1,1,0,0,0,0|1,1,0]=4 4082 B7R0.9 C[Si](C)(C)CC(O)=O Amb19894126 [1,1,0,0,0,0|0,1,0]=3 4083 B7R0.9 NC(=O)OC(C)(C)C Amb2236390 [1,1,0,0,0,0|2,0,0]=4 4084 B7R0.9 OB(CC(C)(C)C)O Amb13890355 [1,1,0,0,0,0|1,0,1]=4 4085 B7R0.9 OC(=O)CC(F)(F)Br Amb24373833 [1,1,0,0,0,0|2,0,0]=4 4086 B7R0.9 OC(=O)CC(O)(C)C Amb10605560 [1,1,0,0,0,0|0,0,0]=2 4087 B7R0.9 OC(=O)CS(=O)(=O)O Amb16232248 [1,1,0,0,0,0|2,0,0]=4 4088 B7R0.9 OC(=O)C[As+](C)(C)C Amb17608518 [1,1,0,0,0,0|1,0,0]=3 4089 B7R0.9 [2H]C([2H])([2H])CC(O)=O Amb22338080 [1,1,0,0,0,0|2,0,0]=4 4090 B7R0.9 [O-]C(=O)C[N+](C)(C)C Amb10843741 [1,1,0,0,0,0|1,0,1]=4 4091 B7R0.16 BrC(C(=O)Cl)C(C)C Amb17569838 [1,1,0,0,0,0|1,0,0]=3 4092 B7R0.16 BrC(C(=O)O)C(=O)O Amb17594708 [1,1,0,0,0,0|1,0,1]=4 4093 B7R0.16 CC(=C(C(=O)O)Br)C Amb17594579 [1,1,0,0,0,0|0,0,2]=4 4094 B7R0.16 CC(=C(C(=O)O)C)C Amb17593186 [1,1,0,0,0,0|0,0,2]=4 4095 B7R0.16 CC(=C)C(C)C(O)=O Amb18641781 [1,1,0,0,0,0|0,0,2]=4 4096 B7R0.16 CC(=C)C(N)C(O)=O Amb18641831 [1,1,0,0,0,0|0,0,2]=4 4097 B7R0.16 CC(=C)[C@@H](C)C(O)=O Amb25355239 [1,1,0,0,0,0|0,0,2]=4 4098 B7R0.16 CC(=O)C(=C)C(C)C Amb25713676 [1,1,0,0,0,0|1,0,1]=4 4099 B7R0.16 CC(=O)C(=O)C(C)O Amb25173440 [1,1,0,0,0,0|1,0,1]=4 4100 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [1,1,0,0,0,0|0,0,2]=4 4101 B7R0.16 CC(Br)C(=O)C(O)=O Amb23400913 [1,1,0,0,0,0|1,0,1]=4 4102 B7R0.16 CC(Br)C(N)C(O)=O Amb25775046 [1,1,0,0,0,0|1,0,0]=3 4103 B7R0.16 CC(C(=C)C(=O)O)C Amb17593189 [1,1,0,0,0,0|0,0,1]=3 4104 B7R0.16 CC(C(=O)O)C(=O)C Amb10601660 [1,1,0,0,0,0|0,0,2]=4 4105 B7R0.16 CC(C(=O)O)C(C)C Amb17087469 [1,1,0,0,0,0|0,0,0]=2 4106 B7R0.16 CC(C(C(=O)C)Br)C Amb2389580 [1,1,0,0,0,0|1,0,0]=3 4107 B7R0.16 CC(C(C(=O)C)C)O Amb17593202 [1,1,0,0,0,0|1,0,0]=3 4108 B7R0.16 CC(C(C(=O)O)Br)O Amb17594710 [1,1,0,0,0,0|0,0,0]=2 4109 B7R0.16 CC(C(C(=O)O)C)O Amb17615515 [1,1,0,0,0,0|0,0,0]=2 4110 B7R0.16 CC(C(C(=O)O)Cl)O Amb17593522 [1,1,0,0,0,0|0,0,0]=2 4111 B7R0.16 CC(C(C(=O)O)N)F Amb10838661 [1,1,0,0,0,0|1,0,0]=3 4112 B7R0.16 CC(C(C(=O)O)N)S Amb17593434 [1,1,0,0,0,0|0,1,0]=3 4113 B7R0.16 CC(C(C)Br)C(O)=O Amb25111271 [1,1,0,0,0,0|1,0,0]=3 4114 B7R0.16 CC(C(C)Cl)C(N)=O Amb25785669 [1,1,0,0,0,0|2,0,0]=4 4115 B7R0.16 CC(C(C)N)C(C)=O Amb24411022 [1,1,0,0,0,0|2,0,0]=4 4116 B7R0.16 CC(C(C)N)C(O)=O Amb18124261 [1,1,0,0,0,0|1,0,0]=3 4117 B7R0.16 CC(C(C)O)C(N)=O Amb24481579 [1,1,0,0,0,0|1,0,0]=3 4118 B7R0.16 CC(C(C)O)C(N)=S Amb24583963 [1,1,0,0,0,0|1,1,0]=4 4119 B7R0.16 CC(C(C)S)C(O)=O Amb25842057 [1,1,0,0,0,0|0,1,0]=3 4120 B7R0.16 CC(C(N)=O)N(C)C Amb25679024 [1,1,0,0,0,0|2,0,0]=4 4121 B7R0.16 CC(C(O)=O)N(C)Br Amb24743147 [1,1,0,0,0,0|2,0,0]=4 4122 B7R0.16 CC(C(O)=O)N(C)C Amb21955631 [1,1,0,0,0,0|1,0,0]=3 4123 B7R0.16 CC(C(O)=O)N(C)N Amb22372039 [1,1,0,0,0,0|2,0,0]=4 4124 B7R0.16 CC(C(O)=O)N(C)O Amb24714002 [1,1,0,0,0,0|1,0,0]=3 4125 B7R0.16 CC(C(O)=O)S(C)=O Amb18950743 [1,1,0,0,0,0|1,0,1]=4 4126 B7R0.16 CC(C(O)=O)S(O)=O Amb25680146 [1,1,0,0,0,0|2,0,0]=4 4127 B7R0.16 CC(C(O)C)C(O)C Amb2583260 [1,1,0,0,0,0|1,0,1]=4 4128 B7R0.16 CC(C)=C(Cl)C(O)=O Amb18642954 [1,1,0,0,0,0|0,0,2]=4 4129 B7R0.16 CC(C)=C(F)C(O)=O Amb20669103 [1,1,0,0,0,0|0,0,2]=4 4130 B7R0.16 CC(C)=C(S)C(O)=O Amb25360161 [1,1,0,0,0,0|0,0,2]=4 4131 B7R0.16 CC(C)C(=C)C(N)=O Amb24709685 [1,1,0,0,0,0|1,0,1]=4 4132 B7R0.16 CC(C)C(=S)C(O)=O Amb25244596 [1,1,0,0,0,0|0,0,1]=3 4133 B7R0.16 CC(C)C(Br)C(Br)=O Amb17666947 [1,1,0,0,0,0|1,0,0]=3 4134 B7R0.16 CC(C)C(Br)C(N)=S Amb24524277 [1,1,0,0,0,0|1,1,0]=4 4135 B7R0.16 CC(C)C(C)C(C)=C Amb24649761 [1,1,0,0,0,0|2,0,0]=4 4136 B7R0.16 CC(C)C(C)C(C)=O Amb17940267 [1,1,0,0,0,0|1,0,0]=3 4137 B7R0.16 CC(C)C(C)C(C)O Amb24640694 [1,1,0,0,0,0|1,0,1]=4 4138 B7R0.16 CC(C)C(C)C(N)=O Amb25810126 [1,1,0,0,0,0|1,0,0]=3 4139 B7R0.16 CC(C)C(C)S(C)=O Amb24528110 [1,1,0,0,0,0|2,0,0]=4 4140 B7R0.16 CC(C)C(C)S([O-])=O Amb25685559 [1,1,0,0,0,0|1,0,1]=4 4141 B7R0.16 CC(C)C(Cl)C(=C)Cl Amb25360075 [1,1,0,0,0,0|2,0,0]=4 4142 B7R0.16 CC(C)C(Cl)C(=O)Cl Amb24483174 [1,1,0,0,0,0|1,0,0]=3 4143 B7R0.16 CC(C)C(Cl)C(C)=C Amb24483132 [1,1,0,0,0,0|2,0,0]=4 4144 B7R0.16 CC(C)C(Cl)C(C)=O Amb24483197 [1,1,0,0,0,0|1,0,0]=3 4145 B7R0.16 CC(C)C(Cl)C(C)O Amb25124794 [1,1,0,0,0,0|1,0,1]=4 4146 B7R0.16 CC(C)C(Cl)C(N)=O Amb25337426 [1,1,0,0,0,0|1,0,0]=3 4147 B7R0.16 CC(C)C(Cl)S(C)=O Amb24482117 [1,1,0,0,0,0|2,0,0]=4 4148 B7R0.16 CC(C)C(F)C(=O)Cl Amb25142402 [1,1,0,0,0,0|1,0,0]=3 4149 B7R0.16 CC(C)C(F)C(N)=O Amb24616703 [1,1,0,0,0,0|1,0,0]=3 4150 B7R0.16 CC(C)C(F)C(O)=O Amb19957386 [1,1,0,0,0,0|0,0,0]=2 4151 B7R0.16 CC(C)C(N)B(O)O Amb24482349 [1,1,0,0,0,0|1,0,1]=4 4152 B7R0.16 CC(C)C(N)C(=O)S Amb25064101 [1,1,0,0,0,0|0,1,0]=3 4153 B7R0.16 CC(C)C(N)C(C)=C Amb18641748 [1,1,0,0,0,0|2,0,0]=4 4154 B7R0.16 CC(C)C(N)C(C)=O Amb23536905 [1,1,0,0,0,0|1,0,0]=3 4155 B7R0.16 CC(C)C(N)C(C)O Amb18641932 [1,1,0,0,0,0|1,0,1]=4 4156 B7R0.16 CC(C)C(N)C(N)=O Amb19267095 [1,1,0,0,0,0|1,0,0]=3 4157 B7R0.16 CC(C)C(N)C(N)=S Amb19148044 [1,1,0,0,0,0|1,1,0]=4 4158 B7R0.16 CC(C)C(N)[13C](O)=O Amb22338653 [1,1,0,0,0,0|0,0,0]=2 4159 B7R0.16 CC(C)C(O)C(C)=O Amb25087800 [1,1,0,0,0,0|1,0,0]=3 4160 B7R0.16 CC(C)C(O)C(N)=N Amb24447862 [1,1,0,0,0,0|2,0,0]=4 4161 B7R0.16 CC(C)C(O)C(N)=O Amb25124434 [1,1,0,0,0,0|1,0,0]=3 4162 B7R0.16 CC(C)C(S)C(N)=O Amb25315643 [1,1,0,0,0,0|1,0,0]=3 4163 B7R0.16 CC(C)C(S)C(O)=O Amb18282761 [1,1,0,0,0,0|0,0,0]=2 4164 B7R0.16 CC(C)C([15NH2])C(O)=O Amb22363191 [1,1,0,0,0,0|0,0,0]=2 4165 B7R0.16 CC(C)N(C)C(=O)Cl Amb25807313 [1,1,0,0,0,0|2,0,0]=4 4166 B7R0.16 CC(C)N(N)C(N)=O Amb24679360 [1,1,0,0,0,0|2,0,0]=4 4167 B7R0.16 CC(C)N(O)C(N)=O Amb18202545 [1,1,0,0,0,0|2,0,0]=4 4168 B7R0.16 CC(C)[13CH](N)C(O)=O Amb22367349 [1,1,0,0,0,0|0,0,0]=2 4169 B7R0.16 CC(C)[C@@H](Br)C(=O)Cl Amb25708357 [1,1,0,0,0,0|1,0,0]=3 4170 B7R0.16 CC(C)[C@@H](C)C(C)=O Amb24753185 [1,1,0,0,0,0|1,0,0]=3 4171 B7R0.16 CC(C)[C@@H](Cl)B(O)O Amb25109627 [1,1,0,0,0,0|1,0,1]=4 4172 B7R0.16 CC(C)[C@@H](Cl)C(O)=O Amb22353101 [1,1,0,0,0,0|0,0,0]=2 4173 B7R0.16 CC(C)[C@@H](F)C(O)=O Amb25083215 [1,1,0,0,0,0|0,0,0]=2 4174 B7R0.16 CC(C)[C@@H](N)C(C)=O Amb25757023 [1,1,0,0,0,0|1,0,0]=3 4175 B7R0.16 CC(C)[C@@H](N)C(C)O Amb24575417 [1,1,0,0,0,0|1,0,1]=4 4176 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb22169898 [1,1,0,0,0,0|1,0,0]=3 4177 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb25132118 [1,1,0,0,0,0|1,0,0]=3 4178 B7R0.16 CC(C)[C@@H](N)C(O)=O Amb22746777 [1,1,0,0,0,0|0,0,0]=2 4179 B7R0.16 CC(C)[C@@H](N)[C@@H](C)O Amb24540375 [1,1,0,0,0,0|1,0,1]=4 4180 B7R0.16 CC(C)[C@@H](O)C(C)=O Amb24379445 [1,1,0,0,0,0|1,0,0]=3 4181 B7R0.16 CC(C)[C@@H](O)[C@H](C)O Amb24332475 [1,1,0,0,0,0|1,0,1]=4 4182 B7R0.16 CC(C)[C@@H](S)C(O)=O Amb25320674 [1,1,0,0,0,0|0,0,0]=2 4183 B7R0.16 CC(C)[C@H](N)C(=O)Cl Amb25679283 [1,1,0,0,0,0|1,0,0]=3 4184 B7R0.16 CC(C)[C@H](N)C(=O)S Amb24427323 [1,1,0,0,0,0|0,1,0]=3 4185 B7R0.16 CC(C)[C@H](N)C(N)=S Amb24714667 [1,1,0,0,0,0|1,1,0]=4 4186 B7R0.16 CC(C)[C@H](N)C(O)=O Amb22351111 [1,1,0,0,0,0|0,0,0]=2 4187 B7R0.16 CC(C)[C@H](N)[13C](O)=O Amb22354046 [1,1,0,0,0,0|0,0,0]=2 4188 B7R0.16 CC(C)[C@H](N)[C@@H](C)O Amb24611787 [1,1,0,0,0,0|1,0,1]=4 4189 B7R0.16 CC(C)[C@H](O)C(=O)Cl Amb25285621 [1,1,0,0,0,0|1,0,0]=3 4190 B7R0.16 CC(C)[C@H](O)C(C)=O Amb25723739 [1,1,0,0,0,0|1,0,0]=3 4191 B7R0.16 CC(C)[C@H](O)[C@@H](C)O Amb24591386 [1,1,0,0,0,0|1,0,1]=4 4192 B7R0.16 CC(C)[C@H](O)[C@H](C)O Amb25043671 [1,1,0,0,0,0|1,0,1]=4 4193 B7R0.16 CC(C)[C@H](S)C(O)=O Amb25662094 [1,1,0,0,0,0|0,0,0]=2 4194 B7R0.16 CC(Cl)C(=C)C(O)=O Amb24701921 [1,1,0,0,0,0|1,0,1]=4 4195 B7R0.16 CC(Cl)C(C)C(=O)Cl Amb25209986 [1,1,0,0,0,0|2,0,0]=4 4196 B7R0.16 CC(Cl)C(Cl)C(C)=O Amb25713717 [1,1,0,0,0,0|2,0,0]=4 4197 B7R0.16 CC(Cl)C(Cl)C(N)=O Amb24357982 [1,1,0,0,0,0|2,0,0]=4 4198 B7R0.16 CC(Cl)C(N)C(O)=O Amb25269614 [1,1,0,0,0,0|1,0,0]=3 4199 B7R0.16 CC(Cl)C(O)C(O)=O Amb25222028 [1,1,0,0,0,0|1,0,0]=3 4200 B7R0.16 CC(F)C(Br)C(O)=O Amb25304346 [1,1,0,0,0,0|1,0,0]=3 4201 B7R0.16 CC(F)C(F)C(O)=O Amb24687273 [1,1,0,0,0,0|1,0,0]=3 4202 B7R0.16 CC(F)C(O)C(O)=O Amb24385715 [1,1,0,0,0,0|1,0,0]=3 4203 B7R0.16 CC(N(C(=O)N)C)C Amb1132046 [1,1,0,0,0,0|2,0,0]=4 4204 B7R0.16 CC(N)C(N)C(O)=O Amb17678795 [1,1,0,0,0,0|1,0,0]=3 4205 B7R0.16 CC(N)C(N)C(O)=O Amb22728051 [1,1,0,0,0,0|1,0,0]=3 4206 B7R0.16 CC(N)C(O)C(O)=O Amb18641970 [1,1,0,0,0,0|1,0,0]=3 4207 B7R0.16 CC(N)[C@H](N)C(O)=O Amb25083113 [1,1,0,0,0,0|1,0,0]=3 4208 B7R0.16 CC(O)=C(O)C(C)O Amb25227909 [1,1,0,0,0,0|1,0,1]=4 4209 B7R0.16 CC(O)C(=C)C(N)=O Amb24694487 [1,1,0,0,0,0|1,0,1]=4 4210 B7R0.16 CC(O)C(=O)C(O)=O Amb24481396 [1,1,0,0,0,0|0,0,1]=3 4211 B7R0.16 CC(O)C(N)C(C)=O Amb25026434 [1,1,0,0,0,0|1,0,0]=3 4212 B7R0.16 CC(O)C(N)C(C)O Amb24374632 [1,1,0,0,0,0|1,0,1]=4 4213 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [1,1,0,0,0,0|1,0,0]=3 4214 B7R0.16 CC(O)C(N)P(O)=O Amb24428649 [1,1,0,0,0,0|1,0,0]=3 4215 B7R0.16 CC(O)C(N)P(O)O Amb25305040 [1,1,0,0,0,0|1,0,1]=4 4216 B7R0.16 CC(O)C(O)C(O)=O Amb18124272 [1,1,0,0,0,0|0,0,0]=2 4217 B7R0.16 CC(O)C(O)C(O)O Amb25792462 [1,1,0,0,0,0|0,0,2]=4 4218 B7R0.16 CC(O)N(C)C(O)=O Amb22641864 [1,1,0,0,0,0|1,0,0]=3 4219 B7R0.16 CC(O)[C@@H](C)C(O)=O Amb25857406 [1,1,0,0,0,0|0,0,0]=2 4220 B7R0.16 CC(S)C(Cl)C(N)=O Amb24483091 [1,1,0,0,0,0|1,1,0]=4 4221 B7R0.16 CC(S)[C@@H](N)C(O)=O Amb24606864 [1,1,0,0,0,0|0,1,0]=3 4222 B7R0.16 CC(S)[C@H](N)C(O)=O Amb25684204 [1,1,0,0,0,0|0,1,0]=3 4223 B7R0.16 CC([C@@H](C)N)C(O)=O Amb24680995 [1,1,0,0,0,0|1,0,0]=3 4224 B7R0.16 CN(C)C(=N)C(O)=O Amb18641880 [1,1,0,0,0,0|1,0,1]=4 4225 B7R0.16 CN(C)C(=S)C(O)=O Amb24068793 [1,1,0,0,0,0|1,0,1]=4 4226 B7R0.16 CN(C)C(N)C(O)=O Amb24746695 [1,1,0,0,0,0|1,0,0]=3 4227 B7R0.16 C[C@@H](C(=O)O)C(C)C Amb10844600 [1,1,0,0,0,0|0,0,0]=2 4228 B7R0.16 C[C@@H](C(N)=O)N(C)C Amb25031426 [1,1,0,0,0,0|2,0,0]=4 4229 B7R0.16 C[C@@H](C(O)=O)N(C)C Amb22587534 [1,1,0,0,0,0|1,0,0]=3 4230 B7R0.16 C[C@@H](C(O)=O)N(C)Cl Amb24640409 [1,1,0,0,0,0|2,0,0]=4 4231 B7R0.16 C[C@@H](Cl)[C@@H](Br)C(O)=O Amb24526448 [1,1,0,0,0,0|1,0,0]=3 4232 B7R0.16 C[C@@H](Cl)[C@@H](O)C(O)=O Amb24445574 [1,1,0,0,0,0|1,0,0]=3 4233 B7R0.16 C[C@@H](F)[C@H](N)C(O)=O Amb25789807 [1,1,0,0,0,0|1,0,0]=3 4234 B7R0.16 C[C@@H](N)[C@@H](N)C(O)=O Amb22745396 [1,1,0,0,0,0|1,0,0]=3 4235 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb22745441 [1,1,0,0,0,0|1,0,0]=3 4236 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb24481409 [1,1,0,0,0,0|1,0,0]=3 4237 B7R0.16 C[C@@H](O)C(C)C(O)=O Amb24469914 [1,1,0,0,0,0|0,0,0]=2 4238 B7R0.16 C[C@@H](O)C(N)C(C)O Amb24394814 [1,1,0,0,0,0|1,0,1]=4 4239 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [1,1,0,0,0,0|0,0,0]=2 4240 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O Amb24481394 [1,1,0,0,0,0|0,0,0]=2 4241 B7R0.16 C[C@@H](O)[C@@H](N)C(C)=O Amb25238428 [1,1,0,0,0,0|1,0,0]=3 4242 B7R0.16 C[C@@H](O)[C@@H](O)C(C)=O Amb24701454 [1,1,0,0,0,0|1,0,0]=3 4243 B7R0.16 C[C@@H](O)[C@H](F)C(O)=O Amb24470562 [1,1,0,0,0,0|0,0,0]=2 4244 B7R0.16 C[C@@H](O)[C@H](N)C(C)O Amb25141789 [1,1,0,0,0,0|1,0,1]=4 4245 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [1,1,0,0,0,0|1,0,0]=3 4246 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [1,1,0,0,0,0|0,0,0]=2 4247 B7R0.16 C[C@@H](O)[C@H](O)C(C)=O Amb24481484 [1,1,0,0,0,0|1,0,0]=3 4248 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [1,1,0,0,0,0|0,0,0]=2 4249 B7R0.16 C[C@@H](S)[C@@H](N)C(O)=O Amb24333717 [1,1,0,0,0,0|0,1,0]=3 4250 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24117242 [1,1,0,0,0,0|0,1,0]=3 4251 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24726915 [1,1,0,0,0,0|0,1,0]=3 4252 B7R0.16 C[C@@H]([C@@H](C)N)C(O)=O Amb24410324 [1,1,0,0,0,0|1,0,0]=3 4253 B7R0.16 C[C@@H]([C@@H](C)O)C(=C)Br Amb25144623 [1,1,0,0,0,0|2,0,0]=4 4254 B7R0.16 C[C@@H]([C@H](C(=O)O)C)O Amb10844569 [1,1,0,0,0,0|0,0,0]=2 4255 B7R0.16 C[C@@H]([C@H](C)O)C(C)=C Amb25091688 [1,1,0,0,0,0|2,0,0]=4 4256 B7R0.16 C[C@H](Br)[C@H](N)C(O)=O Amb24711401 [1,1,0,0,0,0|1,0,0]=3 4257 B7R0.16 C[C@H](C(=O)O)C(C)C Amb10844601 [1,1,0,0,0,0|0,0,0]=2 4258 B7R0.16 C[C@H](C(N)=O)N(C)C Amb24687546 [1,1,0,0,0,0|2,0,0]=4 4259 B7R0.16 C[C@H](C(O)=O)N(C)C Amb22586633 [1,1,0,0,0,0|1,0,0]=3 4260 B7R0.16 C[C@H](F)[C@H](N)C(O)=O Amb25805291 [1,1,0,0,0,0|1,0,0]=3 4261 B7R0.16 C[C@H](N)C(=C)C(O)=O Amb24631906 [1,1,0,0,0,0|1,0,1]=4 4262 B7R0.16 C[C@H](N)C(O)C(N)=O Amb24431514 [1,1,0,0,0,0|2,0,0]=4 4263 B7R0.16 C[C@H](N)C(O)C(O)=O Amb24649032 [1,1,0,0,0,0|1,0,0]=3 4264 B7R0.16 C[C@H](N)[C@@H](F)C(N)=O Amb25825111 [1,1,0,0,0,0|2,0,0]=4 4265 B7R0.16 C[C@H](N)[C@@H](F)C(O)=O Amb25293984 [1,1,0,0,0,0|1,0,0]=3 4266 B7R0.16 C[C@H](N)[C@@H](N)C(O)=O Amb17678796 [1,1,0,0,0,0|1,0,0]=3 4267 B7R0.16 C[C@H](N)[C@H](F)C(N)=O Amb24483015 [1,1,0,0,0,0|2,0,0]=4 4268 B7R0.16 C[C@H](N)[C@H](N)C(O)=O Amb17678797 [1,1,0,0,0,0|1,0,0]=3 4269 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb19929490 [1,1,0,0,0,0|1,0,0]=3 4270 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb24407396 [1,1,0,0,0,0|1,0,0]=3 4271 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [1,1,0,0,0,0|0,0,0]=2 4272 B7R0.16 C[C@H](O)[C@@H](O)C(C)=C Amb24719527 [1,1,0,0,0,0|2,0,0]=4 4273 B7R0.16 C[C@H](O)[C@@H](O)C(O)=O Amb25844932 [1,1,0,0,0,0|0,0,0]=2 4274 B7R0.16 C[C@H](O)[C@H](N)C(N)=O Amb25746274 [1,1,0,0,0,0|1,0,0]=3 4275 B7R0.16 C[C@H](O)[C@H](O)C(=C)Br Amb25333755 [1,1,0,0,0,0|2,0,0]=4 4276 B7R0.16 C[C@H](O)[C@H](O)C(C)=C Amb24688259 [1,1,0,0,0,0|2,0,0]=4 4277 B7R0.16 C[C@H](S)[C@H](N)C(O)=O Amb25131648 [1,1,0,0,0,0|0,1,0]=3 4278 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O Amb16183845 [1,1,0,0,0,0|1,0,0]=3 4279 B7R0.16 C[C@H]([C@@H](C(=O)O)C)O Amb10844572 [1,1,0,0,0,0|0,0,0]=2 4280 B7R0.16 C[C@H]([C@@H](C)N)C(C)=O Amb25254240 [1,1,0,0,0,0|2,0,0]=4 4281 B7R0.16 C[C@H]([C@@H](C)N)C(O)=O Amb25679842 [1,1,0,0,0,0|1,0,0]=3 4282 B7R0.16 C[C@H]([C@@H](C)O)C(C)=O Amb25144117 [1,1,0,0,0,0|1,0,0]=3 4283 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [1,1,0,0,0,0|0,0,0]=2 4284 B7R0.16 C[C@H]([C@H](C)O)S(C)=O Amb24332098 [1,1,0,0,0,0|2,0,0]=4 4285 B7R0.16 C[C@H]([C@H](C)O)[C@@H](C)O Amb24445952 [1,1,0,0,0,0|1,0,1]=4 4286 B7R0.16 C[C@H]([C@H](C)S)C(O)=O Amb24481380 [1,1,0,0,0,0|0,1,0]=3 4287 B7R0.16 C\C(\O)=C(/O)\C(C)O Amb24364699 [1,1,0,0,0,0|1,0,1]=4 4288 B7R0.16 C\C(\O)=C(\N)/C(O)=O Amb25320750 [1,1,0,0,0,0|0,0,2]=4 4289 B7R0.16 Cl[C@H](C(=O)O)C(C)C Amb16232072 [1,1,0,0,0,0|0,0,0]=2 4290 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [1,1,0,0,0,0|1,0,1]=4 4291 B7R0.16 NC(C(Cl)Cl)C(O)=O Amb24433439 [1,1,0,0,0,0|2,0,0]=4 4292 B7R0.16 NC(C(F)F)C(O)=O Amb24713127 [1,1,0,0,0,0|2,0,0]=4 4293 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [1,1,0,0,0,0|2,0,0]=4 4294 B7R0.16 NC(C(O)O)C(O)=O Amb25682498 [1,1,0,0,0,0|1,0,0]=3 4295 B7R0.16 N[C@@H](C(Cl)Cl)C(O)=O Amb25101008 [1,1,0,0,0,0|2,0,0]=4 4296 B7R0.16 N[C@@H](C(F)F)C(O)=O Amb24433723 [1,1,0,0,0,0|2,0,0]=4 4297 B7R0.16 N[C@H](C(=O)N)C(C)C Amb16183986 [1,1,0,0,0,0|1,0,0]=3 4298 B7R0.16 N[C@H](C(=O)N)C(C)C Amb16231400 [1,1,0,0,0,0|1,0,0]=3 4299 B7R0.16 N[C@H](C(F)F)C(O)=O Amb24659125 [1,1,0,0,0,0|2,0,0]=4 4300 B7R0.16 OC(=O)C(Cl)C(Cl)Cl Amb24426145 [1,1,0,0,0,0|2,0,0]=4 4301 B7R0.16 OC(=O)C(Cl)C(O)=O Amb18643353 [1,1,0,0,0,0|1,0,1]=4 4302 B7R0.16 OC(=O)C(F)C(O)=O Amb24055884 [1,1,0,0,0,0|1,0,1]=4 4303 B7R0.16 OC(C(=O)O)C(=O)O Amb1215315 [1,1,0,0,0,0|1,0,1]=4 4304 B7R0.16 OC(C(=O)O)C(C)C Amb2582547 [1,1,0,0,0,0|0,0,0]=2 4305 B7R0.16 OC(C(F)F)C(O)=O Amb25074883 [1,1,0,0,0,0|2,0,0]=4 4306 B7R0.16 OC(C(O)=O)S(O)=O Amb24551214 [1,1,0,0,0,0|2,0,0]=4 4307 B7R0.16 O[C@@H](C(=O)O)C(C)C Amb10071589 [1,1,0,0,0,0|0,0,0]=2 4308 B7R0.16 [13CH3]C([13CH3])C(=O)C([O-])=O Amb22353581 [1,1,0,0,0,0|0,0,2]=4 4309 B7R0.16 [13CH3]C([13CH3])[13C](=O)[13C]([O-])=O Amb22338387 [1,1,0,0,0,0|0,0,2]=4 4310 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [1,1,0,0,0,0|0,0,0]=2 4311 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](O)=O Amb22338876 [1,1,0,0,0,0|0,0,0]=2 4312 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [1,1,0,0,0,0|0,0,0]=2 4313 B7R0.4 BrCCCCC(=O)C Amb16234126 [1,1,0,0,0,0|2,0,0]=4 4314 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,1,0,0,0,0|1,0,1]=4 4315 B7R0.4 C=C(Br)CCCCO Amb25381428 [1,1,0,0,0,0|2,0,0]=4 4316 B7R0.4 C=C(Br)CNCCO Amb18523816 [1,1,0,0,0,0|2,0,0]=4 4317 B7R0.4 C=C(Br)CSCCO Amb19053954 [1,1,0,0,0,0|2,0,0]=4 4318 B7R0.4 C=C(Cl)CCCCO Amb25064782 [1,1,0,0,0,0|2,0,0]=4 4319 B7R0.4 C=C(Cl)CNCCO Amb19004198 [1,1,0,0,0,0|2,0,0]=4 4320 B7R0.4 C=C(F)CCCCO Amb22641473 [1,1,0,0,0,0|2,0,0]=4 4321 B7R0.4 C=CCCCC(=O)C Amb17593171 [1,1,0,0,0,0|2,0,0]=4 4322 B7R0.4 C=CCCCC(N)=O Amb24579642 [1,1,0,0,0,0|2,0,0]=4 4323 B7R0.4 C=CCSCC(=O)O Amb1110888 [1,1,0,0,0,0|1,0,1]=4 4324 B7R0.4 CC(=C)CNCCO Amb24591963 [1,1,0,0,0,0|2,0,0]=4 4325 B7R0.4 CC(=C)OCCCO Amb24581723 [1,1,0,0,0,0|2,0,0]=4 4326 B7R0.4 CC(=O)CCCC#C Amb18115312 [1,1,0,0,0,0|2,0,0]=4 4327 B7R0.4 CC(=O)CCCC=O Amb18641775 [1,1,0,0,0,0|1,0,1]=4 4328 B7R0.4 CC(=O)CNCCO Amb18108527 [1,1,0,0,0,0|1,0,0]=3 4329 B7R0.4 CC(=O)CNCCS Amb25328157 [1,1,0,0,0,0|1,1,0]=4 4330 B7R0.4 CC(=O)COCCCl Amb25346574 [1,1,0,0,0,0|2,0,0]=4 4331 B7R0.4 CC(=O)COCCN Amb18630459 [1,1,0,0,0,0|2,0,0]=4 4332 B7R0.4 CC(=O)CSCCCl Amb25110707 [1,1,0,0,0,0|2,0,0]=4 4333 B7R0.4 CC(=O)CSCCF Amb24621173 [1,1,0,0,0,0|2,0,0]=4 4334 B7R0.4 CC(=O)C\C=C\CO Amb24583096 [1,1,0,0,0,0|1,0,1]=4 4335 B7R0.4 CC(=O)NCCCF Amb25048794 [1,1,0,0,0,0|2,0,0]=4 4336 B7R0.4 CC(=O)NCCCI Amb24733809 [1,1,0,0,0,0|2,0,0]=4 4337 B7R0.4 CC(=O)NCCCN Amb10610286 [1,1,0,0,0,0|2,0,0]=4 4338 B7R0.4 CC(=O)NCCON Amb17138368 [1,1,0,0,0,0|2,0,0]=4 4339 B7R0.4 CC(=O)OCCCF Amb22008199 [1,1,0,0,0,0|2,0,0]=4 4340 B7R0.4 CC(=O)OCCCI Amb24532815 [1,1,0,0,0,0|2,0,0]=4 4341 B7R0.4 CC(=O)OCCCN Amb18641920 [1,1,0,0,0,0|2,0,0]=4 4342 B7R0.4 CC(=O)OCCCO Amb25854267 [1,1,0,0,0,0|1,0,0]=3 4343 B7R0.4 CC(=O)SCCCBr Amb17610077 [1,1,0,0,0,0|2,0,0]=4 4344 B7R0.4 CC(=O)SCCCF Amb25240055 [1,1,0,0,0,0|2,0,0]=4 4345 B7R0.4 CC(=O)SCCCN Amb25368304 [1,1,0,0,0,0|2,0,0]=4 4346 B7R0.4 CC(O)CCCCO Amb22227757 [1,1,0,0,0,0|1,0,1]=4 4347 B7R0.4 CC(O)CCCON Amb24412992 [1,1,0,0,0,0|1,0,1]=4 4348 B7R0.4 CC(O)COCCO Amb24590103 [1,1,0,0,0,0|1,0,1]=4 4349 B7R0.4 CC(O)CSCCO Amb22055428 [1,1,0,0,0,0|1,0,1]=4 4350 B7R0.4 CCCCCC([O-])=O Amb22337624 [1,1,0,0,0,0|1,0,1]=4 4351 B7R0.4 CCCCCC([O-])=O Amb22525161 [1,1,0,0,0,0|1,0,1]=4 4352 B7R0.4 CCCCCC([O-])=O Amb22730527 [1,1,0,0,0,0|1,0,1]=4 4353 B7R0.4 CCCCCC([O-])=O Amb22731343 [1,1,0,0,0,0|1,0,1]=4 4354 B7R0.4 CCCCC[13C](O)=O Amb22353417 [1,1,0,0,0,0|1,0,0]=3 4355 B7R0.4 CCCCNC(=O)Cl Amb24574309 [1,1,0,0,0,0|2,0,0]=4 4356 B7R0.4 CCCCOC(=O)F Amb24710483 [1,1,0,0,0,0|2,0,0]=4 4357 B7R0.4 CCCCSC(=O)C Amb10552685 [1,1,0,0,0,0|2,0,0]=4 4358 B7R0.4 CCCCSC(=O)Cl Amb22352826 [1,1,0,0,0,0|2,0,0]=4 4359 B7R0.4 CCCCSC(N)=O Amb24533653 [1,1,0,0,0,0|2,0,0]=4 4360 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [1,1,0,0,0,0|1,0,0]=3 4361 B7R0.4 CCCNCC(=O)N Amb1124632 [1,1,0,0,0,0|2,0,0]=4 4362 B7R0.4 CCCNCC(=O)O Amb10609640 [1,1,0,0,0,0|1,0,0]=3 4363 B7R0.4 CCCNCC(=O)O Amb1110628 [1,1,0,0,0,0|1,0,0]=3 4364 B7R0.4 CCCSCC(=O)O Amb1137113 [1,1,0,0,0,0|1,0,0]=3 4365 B7R0.4 CCNCCC(C)=O Amb18641851 [1,1,0,0,0,0|2,0,0]=4 4366 B7R0.4 CCOCCC(=O)Cl Amb20672027 [1,1,0,0,0,0|2,0,0]=4 4367 B7R0.4 CCSSCC(O)=O Amb25233433 [1,1,0,0,0,0|2,0,0]=4 4368 B7R0.4 CNCCCC(=O)O Amb1153115 [1,1,0,0,0,0|1,0,0]=3 4369 B7R0.4 CNCCCC(N)=O Amb18303611 [1,1,0,0,0,0|2,0,0]=4 4370 B7R0.4 CNCCCS(O)=O Amb24656214 [1,1,0,0,0,0|2,0,0]=4 4371 B7R0.4 COCCCC(=O)Cl Amb24481572 [1,1,0,0,0,0|1,0,0]=3 4372 B7R0.4 COCCCC(N)=N Amb19269156 [1,1,0,0,0,0|2,0,0]=4 4373 B7R0.4 COCCCC(N)=O Amb24670109 [1,1,0,0,0,0|1,0,0]=3 4374 B7R0.4 COCCNC(=O)N Amb1104938 [1,1,0,0,0,0|2,0,0]=4 4375 B7R0.4 COCCOC(N)=O Amb25054225 [1,1,0,0,0,0|2,0,0]=4 4376 B7R0.4 COCSCC(C)=O Amb24717297 [1,1,0,0,0,0|2,0,0]=4 4377 B7R0.4 COC\C=C\C(O)=O Amb18296423 [1,1,0,0,0,0|0,0,2]=4 4378 B7R0.4 CONCCC(C)=O Amb25342369 [1,1,0,0,0,0|2,0,0]=4 4379 B7R0.4 CONCCC(N)=O Amb24481431 [1,1,0,0,0,0|2,0,0]=4 4380 B7R0.4 CONCCC(O)=O Amb24441275 [1,1,0,0,0,0|1,0,0]=3 4381 B7R0.4 CO\C=C\CC(O)=O Amb25174889 [1,1,0,0,0,0|0,0,2]=4 4382 B7R0.4 CS(=O)NCCCO Amb25233860 [1,1,0,0,0,0|2,0,0]=4 4383 B7R0.4 CSCCCC(=O)O Amb17503622 [1,1,0,0,0,0|0,1,0]=3 4384 B7R0.4 CSCCCC(C)=O Amb25122381 [1,1,0,0,0,0|1,1,0]=4 4385 B7R0.4 CSCCCC(N)=O Amb19129736 [1,1,0,0,0,0|1,1,0]=4 4386 B7R0.4 C[C@@H](O)CSCCO Amb24643786 [1,1,0,0,0,0|1,0,1]=4 4387 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [1,1,0,0,0,0|0,1,0]=3 4388 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [1,1,0,0,0,0|1,0,1]=4 4389 B7R0.4 ClCCCOC(=O)Cl Amb10844795 [1,1,0,0,0,0|2,0,0]=4 4390 B7R0.4 ClCCOCC(=O)Cl Amb17610887 [1,1,0,0,0,0|2,0,0]=4 4391 B7R0.4 N#CCCCC(=O)C Amb17106756 [1,1,0,0,0,0|2,0,0]=4 4392 B7R0.4 N#CCCCC(O)=O Amb18560874 [1,1,0,0,0,0|1,0,0]=3 4393 B7R0.4 N#CSCCC(O)=O Amb24481186 [1,1,0,0,0,0|1,0,1]=4 4394 B7R0.4 NC(=N)NCCCO Amb25327526 [1,1,0,0,0,0|2,0,0]=4 4395 B7R0.4 NC(=N)SCCCO Amb24381931 [1,1,0,0,0,0|2,0,0]=4 4396 B7R0.4 NC(=O)CCCC#N Amb25337207 [1,1,0,0,0,0|2,0,0]=4 4397 B7R0.4 NC(=O)CCCCI Amb25788033 [1,1,0,0,0,0|2,0,0]=4 4398 B7R0.4 NC(=O)CNCCF Amb24443361 [1,1,0,0,0,0|2,0,0]=4 4399 B7R0.4 NC(=O)COCCBr Amb25133475 [1,1,0,0,0,0|2,0,0]=4 4400 B7R0.4 NC(=O)CSCCCl Amb25846245 [1,1,0,0,0,0|2,0,0]=4 4401 B7R0.4 NC(=O)NCOCO Amb24469438 [1,1,0,0,0,0|2,0,0]=4 4402 B7R0.4 NC(=O)OCCCCl Amb24635478 [1,1,0,0,0,0|2,0,0]=4 4403 B7R0.4 NC(=O)SCCCCl Amb24481372 [1,1,0,0,0,0|2,0,0]=4 4404 B7R0.4 NCCCCC(N)=O Amb18641897 [1,1,0,0,0,0|2,0,0]=4 4405 B7R0.4 NCCCCC([O-])=O Amb22753853 [1,1,0,0,0,0|1,0,1]=4 4406 B7R0.4 NCCCCP(O)=O Amb24520720 [1,1,0,0,0,0|2,0,0]=4 4407 B7R0.4 NCCCNC(N)=O Amb18296186 [1,1,0,0,0,0|2,0,0]=4 4408 B7R0.4 NCCCNC(N)=O Amb20622408 [1,1,0,0,0,0|2,0,0]=4 4409 B7R0.4 NCCCNC(O)=O Amb24093884 [1,1,0,0,0,0|1,0,0]=3 4410 B7R0.4 NCCNCC(=O)O Amb17608063 [1,1,0,0,0,0|1,0,0]=3 4411 B7R0.4 NCCNCC(O)=O Amb19958818 [1,1,0,0,0,0|1,0,0]=3 4412 B7R0.4 NCCOCC(N)=O Amb18523830 [1,1,0,0,0,0|2,0,0]=4 4413 B7R0.4 NCCOCC(N)=O Amb20631066 [1,1,0,0,0,0|2,0,0]=4 4414 B7R0.4 NCCOCC(O)=O Amb18630146 [1,1,0,0,0,0|1,0,0]=3 4415 B7R0.4 NCCOCC(O)=O Amb22751540 [1,1,0,0,0,0|1,0,0]=3 4416 B7R0.4 NCCSCC(=O)C Amb17500454 [1,1,0,0,0,0|2,0,0]=4 4417 B7R0.4 NCCSCC(=O)O Amb17500446 [1,1,0,0,0,0|1,0,0]=3 4418 B7R0.4 NCCSCC(O)=O Amb20622325 [1,1,0,0,0,0|1,0,0]=3 4419 B7R0.4 NCC\C=C\C(O)=O Amb25266868 [1,1,0,0,0,0|1,0,1]=4 4420 B7R0.4 NC\C=C\CC(O)=O Amb18641825 [1,1,0,0,0,0|1,0,1]=4 4421 B7R0.4 NNCCCC(O)=O Amb24455803 [1,1,0,0,0,0|1,0,0]=3 4422 B7R0.4 NOCCCC(=O)O Amb10975956 [1,1,0,0,0,0|0,0,0]=2 4423 B7R0.4 NOCCCC(O)=O Amb22011795 [1,1,0,0,0,0|0,0,0]=2 4424 B7R0.4 O=C(Cl)OCCCBr Amb25137067 [1,1,0,0,0,0|2,0,0]=4 4425 B7R0.4 O=C(F)CCCCCl Amb24472276 [1,1,0,0,0,0|2,0,0]=4 4426 B7R0.4 O=C(F)OCCCCl Amb25122991 [1,1,0,0,0,0|2,0,0]=4 4427 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,1]=3 4428 B7R0.4 OC(=O)CCC=C=C Amb10605299 [1,1,0,0,0,0|1,0,1]=4 4429 B7R0.4 OC(=O)CCN=C=S Amb24562253 [1,1,0,0,0,0|0,1,1]=4 4430 B7R0.4 OC(=O)CCNC=O Amb18290434 [1,1,0,0,0,0|0,0,2]=4 4431 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|1,0,1]=4 4432 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [1,1,0,0,0,0|1,0,1]=4 4433 B7R0.4 OC(=O)CNCCS Amb18124468 [1,1,0,0,0,0|0,1,0]=3 4434 B7R0.4 OC(=O)COCCBr Amb24057760 [1,1,0,0,0,0|1,0,0]=3 4435 B7R0.4 OC(=O)COCCCl Amb21857870 [1,1,0,0,0,0|1,0,0]=3 4436 B7R0.4 OC(=O)CSCC=O Amb24628311 [1,1,0,0,0,0|0,0,2]=4 4437 B7R0.4 OC(=O)CSCCCl Amb18644703 [1,1,0,0,0,0|1,0,0]=3 4438 B7R0.4 OC(=O)CSCCS Amb24711400 [1,1,0,0,0,0|0,1,0]=3 4439 B7R0.4 OC(=O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,1,1]=4 4440 B7R0.4 OC(=O)C\C=C\CBr Amb18125611 [1,1,0,0,0,0|1,0,1]=4 4441 B7R0.4 OC(=O)C\C=C\CCl Amb18124409 [1,1,0,0,0,0|1,0,1]=4 4442 B7R0.4 OC(=O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,1,1]=4 4443 B7R0.4 OC(=O)\C=C\CCBr Amb25702661 [1,1,0,0,0,0|1,0,1]=4 4444 B7R0.4 OCC#CCC(O)=O Amb24395623 [1,1,0,0,0,0|0,0,1]=3 4445 B7R0.4 OCCC#CC(O)=O Amb25844914 [1,1,0,0,0,0|0,0,1]=3 4446 B7R0.4 OCCCCB(O)O Amb25351122 [1,1,0,0,0,0|1,0,1]=4 4447 B7R0.4 OCCCCC(=O)C Amb10603864 [1,1,0,0,0,0|1,0,0]=3 4448 B7R0.4 OCCCCC(=O)[O-] Amb13952763 [1,1,0,0,0,0|0,0,1]=3 4449 B7R0.4 OCCCCC(O)=O Amb22351244 [1,1,0,0,0,0|0,0,0]=2 4450 B7R0.4 OCCCCC(O)O Amb25204642 [1,1,0,0,0,0|0,0,2]=4 4451 B7R0.4 OCCCC[C@H](O)C Amb10605245 [1,1,0,0,0,0|1,0,1]=4 4452 B7R0.4 OCCCOP(=O)S Amb24641084 [1,1,0,0,0,0|1,1,0]=4 4453 B7R0.4 OCCCOP(O)O Amb24643367 [1,1,0,0,0,0|1,0,1]=4 4454 B7R0.4 OCCOCC(O)O Amb24412995 [1,1,0,0,0,0|0,0,2]=4 4455 B7R0.4 OCCSCC(=O)O Amb1110090 [1,1,0,0,0,0|0,0,0]=2 4456 B7R0.4 OCC\C=C\C(O)=O Amb21929352 [1,1,0,0,0,0|0,0,1]=3 4457 B7R0.4 OP(=O)OCCCCl Amb24562481 [1,1,0,0,0,0|2,0,0]=4 4458 B7R0.4 SCCCCC(=O)O Amb17503767 [1,1,0,0,0,0|0,1,0]=3 4459 B7R0.4 [N-]=[N+]=NCCC(O)=O Amb20622326 [1,1,0,0,0,0|2,0,0]=4 4460 B7R0.4 [O-]C(=O)CCCCO Amb22749314 [1,1,0,0,0,0|0,0,1]=3 4461 B7R0.4 [O-][N+](=O)CCCCO Amb25739830 [1,1,0,0,0,0|1,0,1]=4 4462 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [1,1,0,0,0,0|1,0,1]=4 4463 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [1,1,0,0,0,0|1,0,1]=4 4464 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [1,1,0,0,0,0|1,0,1]=4 4465 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [1,1,0,0,0,0|1,0,1]=4 4466 B7R0.6 CC(=O)CCB(O)O Amb25095502 [1,1,0,0,0,0|2,0,0]=4 4467 B7R0.6 CC(=O)CCC(Cl)Cl Amb25724918 [1,1,0,0,0,0|2,0,0]=4 4468 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [1,1,0,0,0,0|2,0,0]=4 4469 B7R0.6 CC(=O)NCC(O)O Amb25378443 [1,1,0,0,0,0|2,0,0]=4 4470 B7R0.6 CC(Br)CCC(=O)Cl Amb24483133 [1,1,0,0,0,0|2,0,0]=4 4471 B7R0.6 CC(Br)CCC(N)=O Amb24065438 [1,1,0,0,0,0|2,0,0]=4 4472 B7R0.6 CC(Br)CCC(O)=O Amb18124528 [1,1,0,0,0,0|1,0,0]=3 4473 B7R0.6 CC(C)CC[13C](O)=O Amb22337922 [1,1,0,0,0,0|1,0,0]=3 4474 B7R0.6 CC(C)CC[13C]([O-])=O Amb22369748 [1,1,0,0,0,0|1,0,1]=4 4475 B7R0.6 CC(CCC(=O)O)C Amb1153016 [1,1,0,0,0,0|1,0,0]=3 4476 B7R0.6 CC(CCC(=O)O)N Amb17593212 [1,1,0,0,0,0|1,0,0]=3 4477 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [1,1,0,0,0,0|2,0,0]=4 4478 B7R0.6 CC(Cl)CCC(N)=O Amb24469692 [1,1,0,0,0,0|2,0,0]=4 4479 B7R0.6 CC(Cl)CCC(O)=O Amb18124448 [1,1,0,0,0,0|1,0,0]=3 4480 B7R0.6 CC(F)CCC(O)=O Amb24682772 [1,1,0,0,0,0|1,0,0]=3 4481 B7R0.6 CC(N)CCC(C)=O Amb24698356 [1,1,0,0,0,0|2,0,0]=4 4482 B7R0.6 CC(N)CCC(N)=O Amb18641901 [1,1,0,0,0,0|2,0,0]=4 4483 B7R0.6 CC(N)CCC(O)=O Amb19515603 [1,1,0,0,0,0|1,0,0]=3 4484 B7R0.6 CC(NCC(=O)O)C Amb2372347 [1,1,0,0,0,0|2,0,0]=4 4485 B7R0.6 CC(O)CCB(O)O Amb24594819 [1,1,0,0,0,0|1,0,1]=4 4486 B7R0.6 CC(O)CCC(C)=C Amb24062974 [1,1,0,0,0,0|2,0,0]=4 4487 B7R0.6 CC(O)CCC(C)=O Amb25829594 [1,1,0,0,0,0|1,0,0]=3 4488 B7R0.6 CC(O)CCC(O)=O Amb18294804 [1,1,0,0,0,0|0,0,0]=2 4489 B7R0.6 CC(O)COC(C)=O Amb24056158 [1,1,0,0,0,0|2,0,0]=4 4490 B7R0.6 CC(O)COP(O)=O Amb24591406 [1,1,0,0,0,0|2,0,0]=4 4491 B7R0.6 CC(O)NCC(O)=O Amb25141558 [1,1,0,0,0,0|1,0,0]=3 4492 B7R0.6 CC(O)\C=C\C(O)=O Amb18641876 [1,1,0,0,0,0|0,0,2]=4 4493 B7R0.6 CC(SCC(=O)O)C Amb1128460 [1,1,0,0,0,0|2,0,0]=4 4494 B7R0.6 CN(C)CCC(O)=O Amb19888182 [1,1,0,0,0,0|2,0,0]=4 4495 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [1,1,0,0,0,0|1,0,1]=4 4496 B7R0.6 C[C@@H](COC(=O)O)O Amb16232417 [1,1,0,0,0,0|1,0,0]=3 4497 B7R0.6 C[C@@H](O)C#CC(O)=O Amb24334413 [1,1,0,0,0,0|0,0,2]=4 4498 B7R0.6 C[C@@H](O)CCB(O)O Amb25683632 [1,1,0,0,0,0|1,0,1]=4 4499 B7R0.6 C[C@@H](O)CCC(C)=C Amb22896943 [1,1,0,0,0,0|2,0,0]=4 4500 B7R0.6 C[C@@H](O)CCC(C)=O Amb22351150 [1,1,0,0,0,0|1,0,0]=3 4501 B7R0.6 C[C@@H](O)CCC(C)O Amb25846912 [1,1,0,0,0,0|1,0,1]=4 4502 B7R0.6 C[C@@H](O)CNC(C)=O Amb25133822 [1,1,0,0,0,0|2,0,0]=4 4503 B7R0.6 C[C@@H](O)COC(C)=O Amb25832756 [1,1,0,0,0,0|2,0,0]=4 4504 B7R0.6 C[C@@H](S)CCC(O)=O Amb24587370 [1,1,0,0,0,0|0,1,0]=3 4505 B7R0.6 C[C@H](N)CCC(O)=O Amb25047328 [1,1,0,0,0,0|1,0,0]=3 4506 B7R0.6 C[C@H](O)CNC(N)=O Amb24384732 [1,1,0,0,0,0|2,0,0]=4 4507 B7R0.6 C[C@H](O)CSC(C)=O Amb25256687 [1,1,0,0,0,0|2,0,0]=4 4508 B7R0.6 C[S+](C)CCC(O)=O Amb22730539 [1,1,0,0,0,0|2,0,0]=4 4509 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [1,1,0,0,0,0|1,0,1]=4 4510 B7R0.6 NC(=O)CCB(O)O Amb24483052 [1,1,0,0,0,0|2,0,0]=4 4511 B7R0.6 NC(=O)CCC(F)F Amb25271130 [1,1,0,0,0,0|2,0,0]=4 4512 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [1,1,0,0,0,0|2,0,0]=4 4513 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [1,1,0,0,0,0|0,1,1]=4 4514 B7R0.6 O=C(Cl)CCC(Cl)Cl Amb24441999 [1,1,0,0,0,0|2,0,0]=4 4515 B7R0.6 OB(O)CCC(O)=O Amb24640288 [1,1,0,0,0,0|1,0,0]=3 4516 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [1,1,0,0,0,0|0,0,2]=4 4517 B7R0.6 OC(=O)CCC(Cl)Cl Amb25059214 [1,1,0,0,0,0|1,0,0]=3 4518 B7R0.6 OC(=O)CCC(F)F Amb20623135 [1,1,0,0,0,0|1,0,0]=3 4519 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [1,1,0,0,0,0|0,0,1]=3 4520 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [1,1,0,0,0,0|0,0,1]=3 4521 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [1,1,0,0,0,0|0,0,1]=3 4522 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [1,1,0,0,0,0|0,0,1]=3 4523 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [1,1,0,0,0,0|0,0,1]=3 4524 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [1,1,0,0,0,0|1,0,1]=4 4525 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [1,1,0,0,0,0|0,0,1]=3 4526 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [1,1,0,0,0,0|0,0,1]=3 4527 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [1,1,0,0,0,0|0,0,1]=3 4528 B7R0.6 OC(O)CCC(O)=O Amb25762802 [1,1,0,0,0,0|0,0,0]=2 4529 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [1,1,0,0,0,0|0,0,1]=3 4530 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [1,1,0,0,0,0|0,0,1]=3 4531 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [1,1,0,0,0,0|0,0,1]=3 4532 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [1,1,0,0,0,0|0,0,2]=4 4533 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [1,1,0,0,0,0|0,0,2]=4 4534 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [1,1,0,0,0,0|0,0,2]=4 4535 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [1,1,0,0,0,0|1,0,1]=4 4536 B7R0.8 CC(C)(O)CCCO Amb20668492 [1,1,0,0,0,0|1,0,1]=4 4537 B7R0.8 CCCCP(O)(O)=O Amb22053921 [1,1,0,0,0,0|2,0,0]=4 4538 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [1,1,0,0,0,0|2,0,0]=4 4539 B7R0.8 CCCCS(O)(=O)=O Amb22269868 [1,1,0,0,0,0|2,0,0]=4 4540 B7R0.8 CP(O)(=O)CCCO Amb24448096 [1,1,0,0,0,0|1,0,0]=3 4541 B7R0.8 C[Si](C)(O)CCCO Amb25296399 [1,1,0,0,0,0|1,1,0]=4 4542 B7R0.8 NCCCS(O)(=O)=O Amb22349635 [1,1,0,0,0,0|2,0,0]=4 4543 B7R0.8 OCCCS(=O)(=O)C Amb10608209 [1,1,0,0,0,0|1,0,1]=4 4544 B7R0.8 OCCCS(=O)(=O)Cl Amb20667916 [1,1,0,0,0,0|1,0,1]=4 4545 B7R0.8 OCCCS(=O)(=O)F Amb24739291 [1,1,0,0,0,0|1,0,1]=4 4546 B7R0.8 OCCCS(O)(=O)=O Amb22002051 [1,1,0,0,0,0|1,0,0]=3 4547 B7R0.8 OCCCS(O)(=O)=O Amb22360758 [1,1,0,0,0,0|1,0,0]=3 4548 B7R0.8 OCCNP(O)(O)=O Amb25831960 [1,1,0,0,0,0|2,0,0]=4 4549 B7R0.8 OCCOS(O)(=O)=O Amb24746781 [1,1,0,0,0,0|2,0,0]=4 4550 B7R0.8 OP(O)(=O)CCCCl Amb22388825 [1,1,0,0,0,0|2,0,0]=4 4551 B7R0.8 OS(=O)(=O)CCCS Amb20620653 [1,1,0,0,0,0|1,1,0]=4 4552 B7R0.8 OS(=O)(=O)CCCS Amb22360759 [1,1,0,0,0,0|1,1,0]=4 4553 B7R0.8 [O-]S(=O)(=O)CCCO Amb22002047 [1,1,0,0,0,0|1,0,1]=4 4554 B7R0.13 CC(=C)C(C)(F)CO Amb25761332 [0,1,0,0,1,0|2,0,0]=4 4555 B7R0.13 CC(=O)C(C)(C)CN Amb25253798 [0,1,0,0,1,0|2,0,0]=4 4556 B7R0.13 CC(=O)C(C)(C)CO Amb24691506 [0,1,0,0,1,0|1,0,0]=3 4557 B7R0.13 CC(=O)C(C)(C)NO Amb22734768 [0,1,0,0,1,0|2,0,0]=4 4558 B7R0.13 CC(=O)C(C)(C)NO Amb25322857 [0,1,0,0,1,0|2,0,0]=4 4559 B7R0.13 CC(=O)C(C)(Cl)CBr Amb24692951 [0,1,0,0,1,0|2,0,0]=4 4560 B7R0.13 CC(=O)C(C)(Cl)CO Amb24752373 [0,1,0,0,1,0|1,0,0]=3 4561 B7R0.13 CC(=O)C(C)(N)CO Amb25765120 [0,1,0,0,1,0|1,0,0]=3 4562 B7R0.13 CC(=O)C(C)(O)CCl Amb25794165 [0,1,0,0,1,0|2,0,0]=4 4563 B7R0.13 CC(=O)C(C)(O)NO Amb25231984 [0,1,0,0,1,0|2,0,0]=4 4564 B7R0.13 CC(=O)C(Cl)(Cl)CO Amb24601361 [0,1,0,0,1,0|2,0,0]=4 4565 B7R0.13 CC(=O)C(F)(F)CO Amb25724409 [0,1,0,0,1,0|2,0,0]=4 4566 B7R0.13 CC(Br)(CO)[N+]([O-])=O Amb22002172 [0,1,0,0,1,0|1,0,1]=4 4567 B7R0.13 CC(C(=O)N)(CC)N Amb13952193 [0,1,0,0,1,0|2,0,0]=4 4568 B7R0.13 CC(C(=O)O)(CC)N Amb2235200 [0,1,0,0,1,0|1,0,0]=3 4569 B7R0.13 CC(C)(C=O)C(O)=O Amb25260968 [0,1,0,0,1,0|0,0,2]=4 4570 B7R0.13 CC(C)(CBr)C(=O)Cl Amb25320872 [0,1,0,0,1,0|2,0,0]=4 4571 B7R0.13 CC(C)(CBr)C(N)=O Amb24635645 [0,1,0,0,1,0|2,0,0]=4 4572 B7R0.13 CC(C)(CF)C(O)=O Amb22000679 [0,1,0,0,1,0|1,0,0]=3 4573 B7R0.13 CC(C)(CN)C(N)=O Amb23402034 [0,1,0,0,1,0|2,0,0]=4 4574 B7R0.13 CC(C)(CN)C(O)=O Amb22371031 [0,1,0,0,1,0|1,0,0]=3 4575 B7R0.13 CC(C)(CO)C(N)=N Amb25337772 [0,1,0,0,1,0|2,0,0]=4 4576 B7R0.13 CC(C)(CO)[N+]([O-])=O Amb21520421 [0,1,0,0,1,0|1,0,1]=4 4577 B7R0.13 CC(C)(NCl)C(O)=O Amb25698269 [0,1,0,0,1,0|2,0,0]=4 4578 B7R0.13 CC(C)(NO)C(O)=O Amb24407386 [0,1,0,0,1,0|1,0,0]=3 4579 B7R0.13 CC(C)(ON)C(O)=O Amb18641969 [0,1,0,0,1,0|2,0,0]=4 4580 B7R0.13 CC(C)(O[NH3+])C(O)=O Amb22167603 [0,1,0,0,1,0|2,0,0]=4 4581 B7R0.13 CC(Cl)(C#C)C(O)=O Amb25771733 [0,1,0,0,1,0|1,0,1]=4 4582 B7R0.13 CC(Cl)(CCl)C(N)=O Amb24481419 [0,1,0,0,1,0|2,0,0]=4 4583 B7R0.13 CC(Cl)(CCl)C([O-])=O Amb22730332 [0,1,0,0,1,0|1,0,1]=4 4584 B7R0.13 CC(F)(CCl)C(=O)Cl Amb24351071 [0,1,0,0,1,0|2,0,0]=4 4585 B7R0.13 CC(F)(CF)C(O)=O Amb24545976 [0,1,0,0,1,0|1,0,0]=3 4586 B7R0.13 CC(N)(C#C)C(O)=O Amb23504061 [0,1,0,0,1,0|1,0,1]=4 4587 B7R0.13 CC(N)(C=C)C(O)=O Amb18641826 [0,1,0,0,1,0|1,0,1]=4 4588 B7R0.13 CC(N)(CN)C(O)=O Amb25310586 [0,1,0,0,1,0|1,0,0]=3 4589 B7R0.13 CC(N)(CS)C(O)=O Amb18124446 [0,1,0,0,1,0|0,1,0]=3 4590 B7R0.13 CC(N)(CS)C(O)=O Amb24480151 [0,1,0,0,1,0|0,1,0]=3 4591 B7R0.13 CC(O)(C#C)C(O)=O Amb25071834 [0,1,0,0,1,0|1,0,1]=4 4592 B7R0.13 CC(O)(CBr)C(=O)Cl Amb24483059 [0,1,0,0,1,0|2,0,0]=4 4593 B7R0.13 CC(O)(CBr)C(N)=O Amb25108659 [0,1,0,0,1,0|2,0,0]=4 4594 B7R0.13 CC(O)(CBr)C(O)=O Amb18522184 [0,1,0,0,1,0|1,0,0]=3 4595 B7R0.13 CC(O)(CCl)C(N)=O Amb25198321 [0,1,0,0,1,0|2,0,0]=4 4596 B7R0.13 CC(O)(CN)C(O)=O Amb25378699 [0,1,0,0,1,0|1,0,0]=3 4597 B7R0.13 CC(O)(CO)C(O)=O Amb22270195 [0,1,0,0,1,0|0,0,0]=2 4598 B7R0.13 CC(O)(NO)C(O)=O Amb24482657 [0,1,0,0,1,0|1,0,0]=3 4599 B7R0.13 CC(O)C(C)(F)CO Amb25745843 [0,1,0,0,1,0|1,0,1]=4 4600 B7R0.13 CC(O)C(C)(N)CO Amb24483101 [0,1,0,0,1,0|1,0,1]=4 4601 B7R0.13 CC(O)C(C)(O)CO Amb24642681 [0,1,0,0,1,0|1,0,1]=4 4602 B7R0.13 CC(S)(C#N)C(O)=O Amb25134394 [0,1,0,0,1,0|1,0,1]=4 4603 B7R0.13 CCC(C(=O)C)(O)C Amb17593200 [0,1,0,0,1,0|2,0,0]=4 4604 B7R0.13 CCC(C(=O)O)(F)F Amb10982488 [0,1,0,0,1,0|2,0,0]=4 4605 B7R0.13 CCC(C)(Br)C(=O)Br Amb24061144 [0,1,0,0,1,0|2,0,0]=4 4606 B7R0.13 CCC(C)(Br)C(=O)Cl Amb25127778 [0,1,0,0,1,0|2,0,0]=4 4607 B7R0.13 CCC(C)(Br)C(C)=O Amb24570848 [0,1,0,0,1,0|2,0,0]=4 4608 B7R0.13 CCC(C)(Br)C(N)=O Amb25111192 [0,1,0,0,1,0|2,0,0]=4 4609 B7R0.13 CCC(C)(Br)C(O)=O Amb22228657 [0,1,0,0,1,0|1,0,0]=3 4610 B7R0.13 CCC(C)(C)C(=O)S Amb22734427 [0,1,0,0,1,0|1,1,0]=4 4611 B7R0.13 CCC(C)(Cl)C(C)=O Amb24434571 [0,1,0,0,1,0|2,0,0]=4 4612 B7R0.13 CCC(C)(Cl)C(O)=O Amb25730682 [0,1,0,0,1,0|1,0,0]=3 4613 B7R0.13 CCC(C)(F)C(O)=O Amb24481385 [0,1,0,0,1,0|1,0,0]=3 4614 B7R0.13 CCC(C)(N)C(C)=O Amb25857157 [0,1,0,0,1,0|2,0,0]=4 4615 B7R0.13 CCC(C)(N)C(N)=O Amb18949646 [0,1,0,0,1,0|2,0,0]=4 4616 B7R0.13 CCC(C)(N)P(O)=O Amb24505272 [0,1,0,0,1,0|2,0,0]=4 4617 B7R0.13 CCC(C)(O)C(N)=O Amb24116738 [0,1,0,0,1,0|2,0,0]=4 4618 B7R0.13 CCC(Cl)(Cl)C(O)=O Amb25274946 [0,1,0,0,1,0|2,0,0]=4 4619 B7R0.13 CC[C@@](C)(N)C(O)=O Amb19929605 [0,1,0,0,1,0|1,0,0]=3 4620 B7R0.13 CC[C@@](C)(O)C(C)=O Amb24481445 [0,1,0,0,1,0|2,0,0]=4 4621 B7R0.13 CC[C@@](C)(O)C(N)=O Amb24668764 [0,1,0,0,1,0|2,0,0]=4 4622 B7R0.13 CC[C@@](C)(O)C([O-])=O Amb17772231 [0,1,0,0,1,0|1,0,1]=4 4623 B7R0.13 CC[C@](C)(Cl)C(O)=O Amb24402244 [0,1,0,0,1,0|1,0,0]=3 4624 B7R0.13 CNC(C)(F)C(O)=O Amb25225635 [0,1,0,0,1,0|2,0,0]=4 4625 B7R0.13 CN[C@@](C)(F)C(O)=O Amb25697457 [0,1,0,0,1,0|2,0,0]=4 4626 B7R0.13 CN[C@](C)(F)C(O)=O Amb25085415 [0,1,0,0,1,0|2,0,0]=4 4627 B7R0.13 COC(C)(S)C(O)=O Amb25201636 [0,1,0,0,1,0|2,0,0]=4 4628 B7R0.13 CSC(C(=O)O)(C)C Amb17501488 [0,1,0,0,1,0|2,0,0]=4 4629 B7R0.13 C[C@@](C(=O)O)(CC)N Amb16183896 [0,1,0,0,1,0|1,0,0]=3 4630 B7R0.13 C[C@@](C(=O)O)(CC)O Amb10067076 [0,1,0,0,1,0|1,0,0]=3 4631 B7R0.13 C[C@@](N)(CF)C(O)=O Amb25169596 [0,1,0,0,1,0|1,0,0]=3 4632 B7R0.13 C[C@@](N)(CS)C(O)=O Amb22757501 [0,1,0,0,1,0|0,1,0]=3 4633 B7R0.13 C[C@@](O)(CN)C(O)=O Amb24698181 [0,1,0,0,1,0|1,0,0]=3 4634 B7R0.13 C[C@H](O)[C@@](C)(O)CO Amb24333575 [0,1,0,0,1,0|1,0,1]=4 4635 B7R0.13 C[C@H](O)[C@](C)(F)CO Amb24474590 [0,1,0,0,1,0|1,0,1]=4 4636 B7R0.13 C[C@H](O)[C@](C)(O)CO Amb25832648 [0,1,0,0,1,0|1,0,1]=4 4637 B7R0.13 C[C@](C(=O)O)(CBr)O Amb17610012 [0,1,0,0,1,0|1,0,0]=3 4638 B7R0.13 C[C@](C(=O)O)(CC)O Amb10067075 [0,1,0,0,1,0|1,0,0]=3 4639 B7R0.13 C[C@](C(=O)O)(CS)N Amb16183893 [0,1,0,0,1,0|0,1,0]=3 4640 B7R0.13 C[C@](F)(CN)C(O)=O Amb25110675 [0,1,0,0,1,0|1,0,0]=3 4641 B7R0.13 C[C@](N)(C#C)C(O)=O Amb24406693 [0,1,0,0,1,0|1,0,1]=4 4642 B7R0.13 C[C@](N)(C=C)C(O)=O Amb24481465 [0,1,0,0,1,0|1,0,1]=4 4643 B7R0.13 C[C@](N)(CF)C(O)=O Amb25775618 [0,1,0,0,1,0|1,0,0]=3 4644 B7R0.13 C[C@](N)(CN)C(O)=O Amb25690446 [0,1,0,0,1,0|1,0,0]=3 4645 B7R0.13 C[C@](N)(CS)C(O)=O Amb22388665 [0,1,0,0,1,0|0,1,0]=3 4646 B7R0.13 C[C@](N)(CS)C(O)=O Amb24053489 [0,1,0,0,1,0|0,1,0]=3 4647 B7R0.13 C[C@](O)(C=C)C(O)=O Amb24556886 [0,1,0,0,1,0|1,0,1]=4 4648 B7R0.13 C[C@](O)(CBr)C(=O)Cl Amb25824129 [0,1,0,0,1,0|2,0,0]=4 4649 B7R0.13 C[C@](O)(CBr)C(O)=O Amb22224875 [0,1,0,0,1,0|1,0,0]=3 4650 B7R0.13 C[C@](O)(CO)C(O)=O Amb25173833 [0,1,0,0,1,0|0,0,0]=2 4651 B7R0.13 C[C@](O)(NO)C(O)=O Amb24412529 [0,1,0,0,1,0|1,0,0]=3 4652 B7R0.13 NC(=O)C(F)(F)CO Amb25378711 [0,1,0,0,1,0|2,0,0]=4 4653 B7R0.13 NC(N)(CS)C(O)=O Amb24746383 [0,1,0,0,1,0|1,1,0]=4 4654 B7R0.13 NC(O)(CS)C(O)=O Amb25211789 [0,1,0,0,1,0|1,1,0]=4 4655 B7R0.13 NCC(F)(F)C(O)=O Amb19888004 [0,1,0,0,1,0|2,0,0]=4 4656 B7R0.13 OC(=O)C(Cl)(Cl)CCl Amb22731239 [0,1,0,0,1,0|2,0,0]=4 4657 B7R0.13 OC(=O)C(F)(Cl)CCl Amb25189030 [0,1,0,0,1,0|2,0,0]=4 4658 B7R0.13 OC(=O)C(F)(F)CF Amb25711017 [0,1,0,0,1,0|2,0,0]=4 4659 B7R0.13 OCC(C(=O)O)(F)F Amb17593305 [0,1,0,0,1,0|1,0,0]=3 4660 B7R0.13 [C-]#[N+]C(C)(C)C(O)=O Amb24481414 [0,1,0,0,1,0|2,0,0]=4 4661 B7R0.14 CC(CN)S(O)(=O)=O Amb24481489 [0,1,0,0,1,0|2,0,0]=4 4662 B7R0.14 CC(CO)P(O)(O)=O Amb25135495 [0,1,0,0,1,0|1,0,0]=3 4663 B7R0.14 CC(CO)S(C)(=O)=O Amb24340232 [0,1,0,0,1,0|1,0,1]=4 4664 B7R0.14 CC(CO)S(N)(=O)=O Amb24367553 [0,1,0,0,1,0|1,0,1]=4 4665 B7R0.14 CC(CO)S(O)(=O)=O Amb25285698 [0,1,0,0,1,0|1,0,0]=3 4666 B7R0.14 CCC(C)S(O)(=O)=O Amb22372234 [0,1,0,0,1,0|2,0,0]=4 4667 B7R0.14 CCC(P(=O)(O)O)C Amb10560197 [0,1,0,0,1,0|2,0,0]=4 4668 B7R0.14 CP(O)(=O)C(N)CO Amb25809584 [0,1,0,0,1,0|2,0,0]=4 4669 B7R0.14 C[C@@H](CO)C(C)(C)O Amb22737257 [0,1,0,0,1,0|1,0,1]=4 4670 B7R0.14 N[C@@H](CO)P(O)(O)=O Amb25211599 [0,1,0,0,1,0|2,0,0]=4 4671 B7R0.14 OCC(Cl)S(O)(=O)=O Amb24613047 [0,1,0,0,1,0|2,0,0]=4 4672 B7R0.15 CC(=C)C(CO)CO Amb24632128 [0,1,0,0,1,0|2,0,0]=4 4673 B7R0.15 CC(=O)C(CO)CO Amb22904340 [0,1,0,0,1,0|1,0,0]=3 4674 B7R0.15 CC(O)=C(CO)NC Amb25210013 [0,1,0,0,1,0|1,0,1]=4 4675 B7R0.15 CCC(=CC)C(O)=O Amb25781700 [0,1,0,0,1,0|1,0,1]=4 4676 B7R0.15 CCC(C#C)C(O)=O Amb25777159 [0,1,0,0,1,0|1,0,1]=4 4677 B7R0.15 CCC(C(=O)N)NC Amb15701261 [0,1,0,0,1,0|2,0,0]=4 4678 B7R0.15 CCC(C(=O)N)OC Amb2027289 [0,1,0,0,1,0|2,0,0]=4 4679 B7R0.15 CCC(C(=O)O)C#N Amb17210513 [0,1,0,0,1,0|1,0,1]=4 4680 B7R0.15 CCC(C(=O)O)NC Amb10610245 [0,1,0,0,1,0|1,0,0]=3 4681 B7R0.15 CCC(C(=O)O)SC Amb17501348 [0,1,0,0,1,0|1,0,0]=3 4682 B7R0.15 CCC(C(=O)[O-])CCl Amb10604125 [0,1,0,0,1,0|1,0,1]=4 4683 B7R0.15 CCC(CBr)C(O)=O Amb25173840 [0,1,0,0,1,0|1,0,0]=3 4684 B7R0.15 CCC(CC)C(=O)Br Amb25280424 [0,1,0,0,1,0|2,0,0]=4 4685 B7R0.15 CCC(CC)C([O-])=O Amb22585838 [0,1,0,0,1,0|1,0,1]=4 4686 B7R0.15 CCC(CN)C(C)=O Amb24548156 [0,1,0,0,1,0|2,0,0]=4 4687 B7R0.15 CCC(CN)C(N)=O Amb18294192 [0,1,0,0,1,0|2,0,0]=4 4688 B7R0.15 CCC(CN)C(O)=O Amb18987934 [0,1,0,0,1,0|1,0,0]=3 4689 B7R0.15 CCC(CN)C(O)=O Amb19514932 [0,1,0,0,1,0|1,0,0]=3 4690 B7R0.15 CCC(CO)C(C)=O Amb24709237 [0,1,0,0,1,0|1,0,0]=3 4691 B7R0.15 CCC(CO)C(O)=O Amb18641947 [0,1,0,0,1,0|0,0,0]=2 4692 B7R0.15 CCC(CS)C(O)=O Amb24435402 [0,1,0,0,1,0|0,1,0]=3 4693 B7R0.15 CCC(NN)C(O)=O Amb18641955 [0,1,0,0,1,0|2,0,0]=4 4694 B7R0.15 CCC(ON)C(O)=O Amb25697895 [0,1,0,0,1,0|2,0,0]=4 4695 B7R0.15 CC[C@@H](C(=O)O)CO Amb16232065 [0,1,0,0,1,0|0,0,0]=2 4696 B7R0.15 CC[C@@H](CO)C(C)=C Amb24525664 [0,1,0,0,1,0|2,0,0]=4 4697 B7R0.15 CC[C@@H](CO)C(O)=O Amb22745321 [0,1,0,0,1,0|0,0,0]=2 4698 B7R0.15 CC[C@@H](CS)C(O)=O Amb24429203 [0,1,0,0,1,0|0,1,0]=3 4699 B7R0.15 CC[C@@H](NN)C(O)=O Amb25746090 [0,1,0,0,1,0|2,0,0]=4 4700 B7R0.15 CC[C@H](C=C)C(O)=O Amb24524256 [0,1,0,0,1,0|1,0,1]=4 4701 B7R0.15 CC[C@H](CN)C(O)=O Amb25790771 [0,1,0,0,1,0|1,0,0]=3 4702 B7R0.15 CC[C@H](CO)C(C)=C Amb25071554 [0,1,0,0,1,0|2,0,0]=4 4703 B7R0.15 CC[C@H](CS)C(O)=O Amb25131908 [0,1,0,0,1,0|0,1,0]=3 4704 B7R0.15 CC[C@H](NC)C(N)=O Amb25745002 [0,1,0,0,1,0|2,0,0]=4 4705 B7R0.15 CC[C@H](NC)C(O)=O Amb24505225 [0,1,0,0,1,0|1,0,0]=3 4706 B7R0.15 CC\C(=C/C)\C(O)=O Amb18641780 [0,1,0,0,1,0|1,0,1]=4 4707 B7R0.15 CC\C(=N/O)\C(O)=O Amb25378085 [0,1,0,0,1,0|1,0,1]=4 4708 B7R0.15 CNC(C=C)C(O)=O Amb25847721 [0,1,0,0,1,0|1,0,1]=4 4709 B7R0.15 CNC(CF)C(O)=O Amb25695388 [0,1,0,0,1,0|1,0,0]=3 4710 B7R0.15 CNC(CN)C(O)=O Amb23515020 [0,1,0,0,1,0|1,0,0]=3 4711 B7R0.15 CNC(CO)C(N)=O Amb18641957 [0,1,0,0,1,0|1,0,0]=3 4712 B7R0.15 CNC(SC)C(O)=O Amb25745282 [0,1,0,0,1,0|2,0,0]=4 4713 B7R0.15 CN[C@@H](CF)C(O)=O Amb25367323 [0,1,0,0,1,0|1,0,0]=3 4714 B7R0.15 CN[C@@H](CN)C(O)=O Amb24397074 [0,1,0,0,1,0|1,0,0]=3 4715 B7R0.15 CN[C@@H](CO)C(N)=O Amb25025437 [0,1,0,0,1,0|1,0,0]=3 4716 B7R0.15 CN[C@H](C(=O)O)CO Amb16183860 [0,1,0,0,1,0|0,0,0]=2 4717 B7R0.15 CN[C@H](CF)C(O)=O Amb25367324 [0,1,0,0,1,0|1,0,0]=3 4718 B7R0.15 COC(=CO)C(O)=O Amb25730461 [0,1,0,0,1,0|0,0,2]=4 4719 B7R0.15 COC(C=C)C(O)=O Amb18641874 [0,1,0,0,1,0|1,0,1]=4 4720 B7R0.15 COC(CBr)C(C)=O Amb24737219 [0,1,0,0,1,0|2,0,0]=4 4721 B7R0.15 COC(CBr)C(N)=O Amb24563790 [0,1,0,0,1,0|2,0,0]=4 4722 B7R0.15 COC(CCl)C(O)=O Amb18643355 [0,1,0,0,1,0|1,0,0]=3 4723 B7R0.15 COC(CN)C(N)=O Amb24719552 [0,1,0,0,1,0|2,0,0]=4 4724 B7R0.15 COC(CN)C(O)=O Amb22059584 [0,1,0,0,1,0|1,0,0]=3 4725 B7R0.15 COC(CN)C(O)=O Amb24271092 [0,1,0,0,1,0|1,0,0]=3 4726 B7R0.15 COC(CO)C(=C)Cl Amb25080420 [0,1,0,0,1,0|2,0,0]=4 4727 B7R0.15 COC(CO)C(O)=O Amb24482992 [0,1,0,0,1,0|0,0,0]=2 4728 B7R0.15 COC(CS)C(O)=O Amb25305649 [0,1,0,0,1,0|0,1,0]=3 4729 B7R0.15 CO[C@H](CO)C(N)=O Amb25755894 [0,1,0,0,1,0|1,0,0]=3 4730 B7R0.15 CSC(CCl)C(O)=O Amb24526774 [0,1,0,0,1,0|1,0,0]=3 4731 B7R0.15 CSC(CO)C(C)=O Amb25746293 [0,1,0,0,1,0|1,0,0]=3 4732 B7R0.15 CSC(CO)C(N)=O Amb25849170 [0,1,0,0,1,0|1,0,0]=3 4733 B7R0.15 C\C(\O)=C(\CO)/NC Amb25759923 [0,1,0,0,1,0|1,0,1]=4 4734 B7R0.15 C\C=C(/CBr)\C(O)=O Amb18128301 [0,1,0,0,1,0|1,0,1]=4 4735 B7R0.15 C\C=C(\CBr)/C(O)=O Amb24606924 [0,1,0,0,1,0|1,0,1]=4 4736 B7R0.15 C\C=C(\CO)/C(O)=O Amb25306747 [0,1,0,0,1,0|0,0,1]=3 4737 B7R0.15 NC(=O)N(CO)CO Amb22167903 [0,1,0,0,1,0|2,0,0]=4 4738 B7R0.15 NCC(C(=O)O)C#N Amb10842157 [0,1,0,0,1,0|1,0,1]=4 4739 B7R0.15 NCC(CN)C(O)=O Amb25335570 [0,1,0,0,1,0|1,0,0]=3 4740 B7R0.15 NC[C@@H](CO)C(O)=O Amb22756739 [0,1,0,0,1,0|0,0,0]=2 4741 B7R0.15 NNC(CS)C(O)=O Amb24117863 [0,1,0,0,1,0|1,1,0]=4 4742 B7R0.15 NN[C@@H](CO)C(O)=O Amb24384871 [0,1,0,0,1,0|1,0,0]=3 4743 B7R0.15 OC(=O)C(CBr)=NO Amb24621133 [0,1,0,0,1,0|1,0,1]=4 4744 B7R0.15 OC(=O)C(CI)CI Amb17779784 [0,1,0,0,1,0|1,0,0]=3 4745 B7R0.15 OC(=O)C(CO)CO Amb18124271 [0,1,0,0,1,0|0,0,0]=2 4746 B7R0.15 OC(=O)C(CS)=NO Amb24685236 [0,1,0,0,1,0|1,0,1]=4 4747 B7R0.15 OC(=O)C(CS)NS Amb25286626 [0,1,0,0,1,0|1,1,0]=4 4748 B7R0.15 OC(=O)\C(\CS)=N\O Amb24551064 [0,1,0,0,1,0|1,0,1]=4 4749 B7R0.15 OCC(NO)C(O)=O Amb24719766 [0,1,0,0,1,0|1,0,0]=3 4750 B7R0.15 [C-]#[N+]C(CC)C(O)=O Amb24432856 [0,1,0,0,1,0|1,0,1]=4 4751 B7R0.15 [O-]CC(CO)[N+]([O-])=O Amb21961874 [0,1,0,0,1,0|1,0,1]=4 4752 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,1,0,0,0,1|1,0,1]=4 4753 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,1,0,0,0,1|1,0,1]=4 4754 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,1,0,0,0,1|1,0,1]=4 4755 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,1,0,0,0,1|1,0,1]=4 4756 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [0,1,0,0,0,1|0,0,2]=4 4757 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [0,1,0,0,0,1|0,0,2]=4 4758 B9R0.7 CC(C(C)C)NCC(=O)N Amb1113849 [0,1,0,0,0,1|2,0,0]=4 4759 B9R0.7 CC(C)C(Br)CCC(O)=O Amb24640345 [0,1,0,0,0,1|2,0,0]=4 4760 B9R0.7 CC(C)C(C)CCC(C)=O Amb24423995 [0,1,0,0,0,1|2,0,0]=4 4761 B9R0.7 CC(C)C(C)CCC(O)=O Amb25843702 [0,1,0,0,0,1|1,0,0]=3 4762 B9R0.7 CC(C)C(C)OCC(O)=O Amb24479217 [0,1,0,0,0,1|1,0,0]=3 4763 B9R0.7 CC(C)C(C)SCC(N)=O Amb25769868 [0,1,0,0,0,1|2,0,0]=4 4764 B9R0.7 CC(C)C(Cl)CCC(O)=O Amb24413514 [0,1,0,0,0,1|2,0,0]=4 4765 B9R0.7 CC(C)C(F)CCC(O)=O Amb24480880 [0,1,0,0,0,1|2,0,0]=4 4766 B9R0.7 CC(C)C(N)CCC(O)=O Amb18124745 [0,1,0,0,0,1|2,0,0]=4 4767 B9R0.7 CC(C)C(O)CCC(O)=O Amb25252592 [0,1,0,0,0,1|2,0,0]=4 4768 B9R0.7 CC(C)C(S)CCC(O)=O Amb25723893 [0,1,0,0,0,1|2,0,0]=4 4769 B9R0.7 CC(C)[C@@H](C)CCC(O)=O Amb25076667 [0,1,0,0,0,1|1,0,0]=3 4770 B9R0.7 CC(C)[C@H](N)CCC(O)=O Amb24452899 [0,1,0,0,0,1|2,0,0]=4 4771 B9R0.7 CC(CCC(O)=O)[N+]([O-])=O Amb25221792 [0,1,0,0,0,1|1,0,1]=4 4772 B9R0.7 CC(CCS(C)=O)C(C)O Amb24555698 [0,1,0,0,0,1|2,0,0]=4 4773 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [0,1,0,0,0,1|1,0,1]=4 4774 B9R0.7 CC(COC(C)=O)C(C)O Amb24719537 [0,1,0,0,0,1|1,0,0]=3 4775 B9R0.7 CC(Cl)C(O)CCC(O)=O Amb24677604 [0,1,0,0,0,1|2,0,0]=4 4776 B9R0.7 CC(F)C(O)CCC(O)=O Amb25831840 [0,1,0,0,0,1|2,0,0]=4 4777 B9R0.7 CC(N)C(N)CCC(O)=O Amb24377171 [0,1,0,0,0,1|2,0,0]=4 4778 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,1,0,0,0,1|0,0,2]=4 4779 B9R0.7 CC(NCC(N)=O)C(F)F Amb24480950 [0,1,0,0,0,1|2,0,0]=4 4780 B9R0.7 CC(NCC(O)=O)C(C)N Amb24637505 [0,1,0,0,0,1|1,0,0]=3 4781 B9R0.7 CC(NCC(O)=O)C(F)F Amb25696710 [0,1,0,0,0,1|1,0,0]=3 4782 B9R0.7 CC(O)C(=O)CCC(O)=O Amb25825263 [0,1,0,0,0,1|1,0,1]=4 4783 B9R0.7 CC(O)C(=O)NCC(O)=O Amb24640434 [0,1,0,0,0,1|1,0,1]=4 4784 B9R0.7 CC(O)C(C)C#CC(O)=O Amb25310844 [0,1,0,0,0,1|0,0,1]=3 4785 B9R0.7 CC(O)C(C)OCC(O)=O Amb25185257 [0,1,0,0,0,1|0,0,0]=2 4786 B9R0.7 CC(O)C(C)SCC(C)O Amb25185164 [0,1,0,0,0,1|1,0,1]=4 4787 B9R0.7 CC(O)C(C)SC[C@H](C)O Amb24388949 [0,1,0,0,0,1|1,0,1]=4 4788 B9R0.7 CC(O)C(N)CNC(N)=O Amb25809645 [0,1,0,0,0,1|2,0,0]=4 4789 B9R0.7 CC(O)C(O)CCC(O)=O Amb25054706 [0,1,0,0,0,1|1,0,0]=3 4790 B9R0.7 CC(O)C(O)\C=C\C(O)=O Amb24470539 [0,1,0,0,0,1|1,0,1]=4 4791 B9R0.7 CC(O)CC[C@@H](C)[C@@H](C)O Amb25333287 [0,1,0,0,0,1|1,0,1]=4 4792 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [0,1,0,0,0,1|1,0,1]=4 4793 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,1,0,0,0,1|0,0,1]=3 4794 B9R0.7 CC(SCC(=C)Cl)C(C)O Amb24703030 [0,1,0,0,0,1|2,0,0]=4 4795 B9R0.7 CC(SCC(C)=C)C(C)O Amb25732856 [0,1,0,0,0,1|2,0,0]=4 4796 B9R0.7 CC(SCC(N)=N)C(C)O Amb24509346 [0,1,0,0,0,1|2,0,0]=4 4797 B9R0.7 CC(SCC(N)=O)C(C)O Amb24426482 [0,1,0,0,0,1|1,0,0]=3 4798 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,1,0,0,0,1|0,0,2]=4 4799 B9R0.7 C[C@@H](CC=C(C)C)C(C)O Amb24706240 [0,1,0,0,0,1|2,0,0]=4 4800 B9R0.7 C[C@@H](CCC(C)=O)[C@@H](C)O Amb22747043 [0,1,0,0,0,1|1,0,0]=3 4801 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,1,0,0,0,1|0,0,1]=3 4802 B9R0.7 C[C@@H](F)[C@H](N)CCC(O)=O Amb25042508 [0,1,0,0,0,1|2,0,0]=4 4803 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [0,1,0,0,0,1|1,0,1]=4 4804 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,1,0,0,0,1|0,0,1]=3 4805 B9R0.7 C[C@@H](O)[C@H](C)SCC(O)=O Amb25774489 [0,1,0,0,0,1|0,0,0]=2 4806 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,1,0,0,0,1|0,0,1]=3 4807 B9R0.7 C[C@H](CC=C(C)C)C(C)O Amb24733053 [0,1,0,0,0,1|2,0,0]=4 4808 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,1,0,0,0,1|0,0,1]=3 4809 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [0,1,0,0,0,1|1,0,1]=4 4810 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,1,0,0,0,1|0,0,1]=3 4811 B9R0.7 C[C@H](O)[C@H](C)CCC(O)=O Amb25340448 [0,1,0,0,0,1|0,0,0]=2 4812 B9R0.7 C[C@H](O)[C@H](O)CCC(N)=O Amb25138530 [0,1,0,0,0,1|2,0,0]=4 4813 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,1,0,0,0,1|0,0,1]=3 4814 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [0,1,0,0,0,1|1,0,1]=4 4815 B9R0.7 NC(CCC(O)=O)C(F)F Amb19148415 [0,1,0,0,0,1|2,0,0]=4 4816 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,1,0,0,0,1|1,0,1]=4 4817 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,1,0,0,0,1|1,0,1]=4 4818 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,1,0,0,0,1|2,0,0]=4 4819 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,1,0,0,0,1|1,0,1]=4 4820 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,1,0,0,0,1|1,0,1]=4 4821 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,1,0,0,0,1|1,0,1]=4 4822 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,1,0,0,0,1|1,0,1]=4 4823 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,1,0,0,0,1|1,0,1]=4 4824 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,1,0,0,0,1|1,0,1]=4 4825 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,1,0,0,0,1|1,0,1]=4 4826 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,1,0,0,0,1|1,0,1]=4 4827 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,1,0,0,0,1|1,0,1]=4 4828 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,1,0,0,0,1|1,0,1]=4 4829 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,1,0,0,0,1|1,0,1]=4 4830 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,1,0,0,0,1|0,0,1]=3 4831 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,1,0,0,0,1|1,0,1]=4 4832 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,1,0,0,0,1|1,0,1]=4 4833 B9R0.21 CC(CCC(C)(C)O)CO Amb24364330 [0,1,0,0,0,1|1,0,1]=4 4834 B9R0.21 CC(CO)CCS(C)(=O)=O Amb25302914 [0,1,0,0,0,1|1,0,1]=4 4835 B9R0.21 CC(CO)CNS(C)(=O)=O Amb25301171 [0,1,0,0,0,1|1,0,1]=4 4836 B9R0.21 CC(CO)NCC(C)(C)O Amb18304057 [0,1,0,0,0,1|1,0,1]=4 4837 B9R0.21 CC(COP(O)(O)=O)CO Amb25788118 [0,1,0,0,0,1|1,0,0]=3 4838 B9R0.21 NC(COP(O)(O)=O)CO Amb24620786 [0,1,0,0,0,1|2,0,0]=4 4839 B9R0.21 N[C@@H](COP(O)(O)=O)CO Amb25221065 [0,1,0,0,0,1|2,0,0]=4 4840 B9R0.21 N[C@@H](CSS(O)(=O)=O)CO Amb24664132 [0,1,0,0,0,1|2,0,0]=4 4841 B9R0.21 OC(CO)COP(O)(O)=O Amb22055353 [0,1,0,0,0,1|2,0,0]=4 4842 B9R0.21 OCC(O)COP(O)(O)=O Amb21929006 [0,1,0,0,0,1|2,0,0]=4 4843 B9R0.21 OCC(O)CSP(O)(O)=O Amb25686208 [0,1,0,0,0,1|2,0,0]=4 4844 B9R0.21 OC[C@@H](O)CCP(O)(O)=O Amb25047616 [0,1,0,0,0,1|2,0,0]=4 4845 B9R0.21 OC[C@@H](O)CNP(O)(O)=O Amb25058479 [0,1,0,0,0,1|2,0,0]=4 4846 B9R0.21 OC[C@@H](O)COP(O)(O)=O Amb22349706 [0,1,0,0,0,1|2,0,0]=4 4847 B9R0.21 OC[C@@H](O)CSP(O)(O)=O Amb24675420 [0,1,0,0,0,1|2,0,0]=4 4848 B9R0.21 O[13CH2][13CH](O)[13CH2]OP(O)(O)=O Amb22055355 [0,1,0,0,0,1|2,0,0]=4 4849 B9R0.21 [O-]C(COP(O)(O)=O)CO Amb22235650 [0,1,0,0,0,1|2,0,0]=4 4850 B9R0.23 CC(=O)CC(=O)C(C)CC Amb24544654 [0,1,0,0,0,1|2,0,0]=4 4851 B9R0.23 CC(=O)CC(O)C(O)CO Amb24737444 [0,1,0,0,0,1|2,0,0]=4 4852 B9R0.23 CC(=O)C[C@@H](O)[C@@H](O)CO Amb25767917 [0,1,0,0,0,1|2,0,0]=4 4853 B9R0.23 CC(C#N)N(C)CC(O)=O Amb18985045 [0,1,0,0,0,1|1,0,1]=4 4854 B9R0.23 CC(C#N)S(=O)CC(O)=O Amb18293472 [0,1,0,0,0,1|1,0,1]=4 4855 B9R0.23 CC(C(CC(=O)O)N)CC Amb2438880 [0,1,0,0,0,1|1,0,0]=3 4856 B9R0.23 CC(C=C)C(C)CC(O)=O Amb18643924 [0,1,0,0,0,1|1,0,1]=4 4857 B9R0.23 CC(C=C)N(C)CC(O)=O Amb19023076 [0,1,0,0,0,1|1,0,1]=4 4858 B9R0.23 CC(CC(O)=O)C(N)CC Amb25820735 [0,1,0,0,0,1|2,0,0]=4 4859 B9R0.23 CC(CC)C(Cl)OC(C)=O Amb24509719 [0,1,0,0,0,1|2,0,0]=4 4860 B9R0.23 CC(CC)C(N)CC(N)=O Amb25312995 [0,1,0,0,0,1|2,0,0]=4 4861 B9R0.23 CC(CC)C(O)CC(O)=O Amb18310690 [0,1,0,0,0,1|1,0,0]=3 4862 B9R0.23 CC(CC)[C@@H](N)CC(N)=O Amb25823252 [0,1,0,0,0,1|2,0,0]=4 4863 B9R0.23 CC(CC)[C@H](N)CC(O)=O Amb25117039 [0,1,0,0,0,1|1,0,0]=3 4864 B9R0.23 CC(CN)N(C)CC(N)=O Amb24651827 [0,1,0,0,0,1|2,0,0]=4 4865 B9R0.23 CC(CN)S(=O)CC(N)=O Amb24410849 [0,1,0,0,0,1|2,0,0]=4 4866 B9R0.23 CC(CO)C(O)CC(C)=C Amb25333528 [0,1,0,0,0,1|2,0,0]=4 4867 B9R0.23 CC(CO)N(C)CC(N)=O Amb24357000 [0,1,0,0,0,1|1,0,0]=3 4868 B9R0.23 CC(CO)N(C)CC(O)=O Amb24419908 [0,1,0,0,0,1|0,0,0]=2 4869 B9R0.23 CC(NC(C)=O)C(C)CBr Amb24723278 [0,1,0,0,0,1|2,0,0]=4 4870 B9R0.23 CC(NC(C)=O)C(C)CCl Amb25147745 [0,1,0,0,0,1|2,0,0]=4 4871 B9R0.23 CC(NC(N)=N)C(C)CO Amb25147743 [0,1,0,0,0,1|2,0,0]=4 4872 B9R0.23 CC(NC(N)=O)C(C)CN Amb25205914 [0,1,0,0,0,1|2,0,0]=4 4873 B9R0.23 CC(O)CN(C)C(C)CO Amb25146983 [0,1,0,0,0,1|1,0,1]=4 4874 B9R0.23 CC(O)CN(C)[C@H](C)CO Amb25091483 [0,1,0,0,0,1|1,0,1]=4 4875 B9R0.23 CC(OC(C)=O)[C@H](C)CCl Amb24480603 [0,1,0,0,0,1|2,0,0]=4 4876 B9R0.23 CC(OC)C(C)CC(O)=O Amb18202340 [0,1,0,0,0,1|2,0,0]=4 4877 B9R0.23 CCC(C)C(=C)CC(O)=O Amb24451006 [0,1,0,0,0,1|1,0,0]=3 4878 B9R0.23 CCC(C)C(C)CC(O)=O Amb18304200 [0,1,0,0,0,1|1,0,0]=3 4879 B9R0.23 CCC(C)C(C)NC(N)=O Amb25261427 [0,1,0,0,0,1|2,0,0]=4 4880 B9R0.23 CCC(C)C(C)OC(N)=O Amb25732527 [0,1,0,0,0,1|2,0,0]=4 4881 B9R0.23 CCC(C)S(=O)CC(O)=O Amb18523822 [0,1,0,0,0,1|1,0,0]=3 4882 B9R0.23 CCC(Cl)C(O)CC(O)=O Amb25111208 [0,1,0,0,0,1|2,0,0]=4 4883 B9R0.23 CCC(O)C(O)CC(O)=O Amb25132101 [0,1,0,0,0,1|2,0,0]=4 4884 B9R0.23 CCN(C)C(=O)CC(O)=O Amb18987423 [0,1,0,0,0,1|2,0,0]=4 4885 B9R0.23 CCN(C)C(C)CC(O)=O Amb22587145 [0,1,0,0,0,1|2,0,0]=4 4886 B9R0.23 CC[C@@H](C)[C@H](C)CC(O)=O Amb24715562 [0,1,0,0,0,1|1,0,0]=3 4887 B9R0.23 CC[C@H](O)[C@H](N)CC(O)=O Amb25204323 [0,1,0,0,0,1|2,0,0]=4 4888 B9R0.23 CN(CC(O)=O)C(=O)CO Amb25848387 [0,1,0,0,0,1|1,0,1]=4 4889 B9R0.23 C[C@@H](C=C)[C@H](C)CC(O)=O Amb25843885 [0,1,0,0,0,1|1,0,1]=4 4890 B9R0.23 C[C@@H](CC([O-])=O)C(O)CO Amb24334935 [0,1,0,0,0,1|1,0,1]=4 4891 B9R0.23 C[C@@H](CC)[C@@H](O)CC(O)=O Amb25068472 [0,1,0,0,0,1|1,0,0]=3 4892 B9R0.23 C[C@@H](CC)[C@H](N)CC(O)=O Amb19944304 [0,1,0,0,0,1|1,0,0]=3 4893 B9R0.23 C[C@@H](CC)[C@H](N)CC(O)=O Amb25068405 [0,1,0,0,0,1|1,0,0]=3 4894 B9R0.23 C[C@@H](CC)[C@H](O)CC(O)=O Amb24409363 [0,1,0,0,0,1|1,0,0]=3 4895 B9R0.23 C[C@@H](CO)N(C)CC(N)=O Amb25189238 [0,1,0,0,0,1|1,0,0]=3 4896 B9R0.23 C[C@@H]([C@@H](CC(=O)O)N)CC Amb16184028 [0,1,0,0,0,1|1,0,0]=3 4897 B9R0.23 C[C@H](CC(O)=O)[C@H](O)CN Amb25131743 [0,1,0,0,0,1|2,0,0]=4 4898 B9R0.23 C[C@H](CC)[C@@H](N)CC(O)=O Amb25689818 [0,1,0,0,0,1|1,0,0]=3 4899 B9R0.23 C[C@H](CO)[C@H](O)CC(C)=C Amb25760423 [0,1,0,0,0,1|2,0,0]=4 4900 B9R0.23 C[C@H]([C@H](CC(=O)O)N)CC Amb16184016 [0,1,0,0,0,1|1,0,0]=3 4901 B9R0.23 C\C(=C/C(O)=O)\C(C)CC Amb18969883 [0,1,0,0,0,1|1,0,1]=4 4902 B9R0.23 NC(=O)CC(O)C(O)CO Amb25139467 [0,1,0,0,0,1|2,0,0]=4 4903 B9R0.23 NC(CC(N)=O)C(O)CO Amb24460353 [0,1,0,0,0,1|2,0,0]=4 4904 B9R0.23 N[C@@H](CC(O)=O)[C@@H](N)CO Amb25788533 [0,1,0,0,0,1|1,0,0]=3 4905 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [0,1,0,0,0,1|1,0,1]=4 4906 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [0,1,0,0,0,1|1,0,1]=4 4907 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O Amb24509722 [0,1,0,0,0,1|1,0,0]=3 4908 B9R0.23 OC[C@@H](O)[C@H](O)CC(O)=O Amb25258026 [0,1,0,0,0,1|1,0,0]=3 4909 B9R0.23 OC[C@H](O)[C@H](O)CC(O)=O Amb24726353 [0,1,0,0,0,1|1,0,0]=3 4910 B9R0.24 C#CC(=O)NCC(O)CO Amb25108746 [0,1,0,0,0,1|2,0,0]=4 4911 B9R0.24 C=CC(=O)NCC(O)CO Amb22011848 [0,1,0,0,0,1|2,0,0]=4 4912 B9R0.24 C=CC(=O)OCC(O)CO Amb22057360 [0,1,0,0,0,1|2,0,0]=4 4913 B9R0.24 CC(C#N)NCC(=O)OC Amb17044888 [0,1,0,0,0,1|1,0,1]=4 4914 B9R0.24 CC(CC)SCC(=O)CC Amb18800476 [0,1,0,0,0,1|2,0,0]=4 4915 B9R0.24 CC(CCC(=O)NN)CN Amb25287777 [0,1,0,0,0,1|2,0,0]=4 4916 B9R0.24 CC(CCC(C)CO)CO Amb25232821 [0,1,0,0,0,1|1,0,1]=4 4917 B9R0.24 CC(CCC(O)CC)CO Amb25206034 [0,1,0,0,0,1|1,0,1]=4 4918 B9R0.24 CC(CN)CCC(=O)C#C Amb25138223 [0,1,0,0,0,1|2,0,0]=4 4919 B9R0.24 CC(CN)CCC(=O)C=C Amb24601148 [0,1,0,0,0,1|2,0,0]=4 4920 B9R0.24 CC(CN)CCC(=O)NO Amb25145597 [0,1,0,0,0,1|1,0,0]=3 4921 B9R0.24 CC(CNC(=O)CC)CC Amb24628624 [0,1,0,0,0,1|2,0,0]=4 4922 B9R0.24 CC(CNC(=O)CN)CN Amb25806994 [0,1,0,0,0,1|2,0,0]=4 4923 B9R0.24 CC(CNC(=O)CO)CO Amb25127228 [0,1,0,0,0,1|0,0,0]=2 4924 B9R0.24 CC(CNC(=O)OC)OC Amb24333803 [0,1,0,0,0,1|2,0,0]=4 4925 B9R0.24 CC(CO)CNC(=O)C#C Amb24509725 [0,1,0,0,0,1|1,0,0]=3 4926 B9R0.24 CC(CO)CNC(N)=NN Amb25144626 [0,1,0,0,0,1|2,0,0]=4 4927 B9R0.24 CC(CO)COC(=O)C=C Amb24632595 [0,1,0,0,0,1|1,0,0]=3 4928 B9R0.24 CC(CO)NCC(C)=CCl Amb24482538 [0,1,0,0,0,1|2,0,0]=4 4929 B9R0.24 CC(CO)NCC(N)=NO Amb24566953 [0,1,0,0,0,1|1,0,0]=3 4930 B9R0.24 CC(CO)NCC(O)CC Amb25135532 [0,1,0,0,0,1|1,0,1]=4 4931 B9R0.24 CC(CO)NCC(O)CO Amb25760284 [0,1,0,0,0,1|0,0,2]=4 4932 B9R0.24 CC(CO)OC[C@@H](N)CO Amb25674917 [0,1,0,0,0,1|1,0,1]=4 4933 B9R0.24 CC(CO)SCC(=O)NN Amb25245928 [0,1,0,0,0,1|1,0,0]=3 4934 B9R0.24 CC(CO)SCC(C)OC Amb24352100 [0,1,0,0,0,1|1,0,1]=4 4935 B9R0.24 CC(CO)SCC(Cl)=CCl Amb25785286 [0,1,0,0,0,1|2,0,0]=4 4936 B9R0.24 CC(COC(=O)CC)CC Amb24061296 [0,1,0,0,0,1|2,0,0]=4 4937 B9R0.24 CC(COC(=O)CO)C#N Amb24354132 [0,1,0,0,0,1|1,0,1]=4 4938 B9R0.24 CCC(=C)CC[C@@H](C)CO Amb25782256 [0,1,0,0,0,1|2,0,0]=4 4939 B9R0.24 CCC(=C)CNC(C)CO Amb25686460 [0,1,0,0,0,1|2,0,0]=4 4940 B9R0.24 CCC(=C)CSC(C)CO Amb25075236 [0,1,0,0,0,1|2,0,0]=4 4941 B9R0.24 CCC(=O)CCC(C)CO Amb25146971 [0,1,0,0,0,1|1,0,0]=3 4942 B9R0.24 CCC(=O)COC(C)CCl Amb25111994 [0,1,0,0,0,1|2,0,0]=4 4943 B9R0.24 CCC(=O)NCC(C)CN Amb19027064 [0,1,0,0,0,1|2,0,0]=4 4944 B9R0.24 CCC(=O)NCC(O)CO Amb24712225 [0,1,0,0,0,1|2,0,0]=4 4945 B9R0.24 CCC(=O)OCC(C)CCl Amb25367344 [0,1,0,0,0,1|2,0,0]=4 4946 B9R0.24 CCC(=O)OCC(C)CO Amb24541857 [0,1,0,0,0,1|1,0,0]=3 4947 B9R0.24 CCC(=O)OCC(O)CO Amb24740407 [0,1,0,0,0,1|2,0,0]=4 4948 B9R0.24 CCC(=O)OC[C@@H](O)CO Amb25047981 [0,1,0,0,0,1|2,0,0]=4 4949 B9R0.24 CCC(=O)OC[C@H](C)CO Amb25345171 [0,1,0,0,0,1|1,0,0]=3 4950 B9R0.24 CCC(=O)OC[C@H](O)CO Amb24615355 [0,1,0,0,0,1|2,0,0]=4 4951 B9R0.24 CCC(C)C#CC(=O)OC Amb25333980 [0,1,0,0,0,1|1,0,1]=4 4952 B9R0.24 CCC(C)CCC(=O)NC Amb24482921 [0,1,0,0,0,1|2,0,0]=4 4953 B9R0.24 CCC(C)CCC(=O)OC Amb25690993 [0,1,0,0,0,1|1,0,0]=3 4954 B9R0.24 CCC(C)CNC(=O)C=C Amb25238655 [0,1,0,0,0,1|2,0,0]=4 4955 B9R0.24 CCC(C)CNC(=O)CBr Amb23512819 [0,1,0,0,0,1|2,0,0]=4 4956 B9R0.24 CCC(C)CNC(=O)CCl Amb18798260 [0,1,0,0,0,1|2,0,0]=4 4957 B9R0.24 CCC(C)CNC(=O)CN Amb19028765 [0,1,0,0,0,1|2,0,0]=4 4958 B9R0.24 CCC(C)CNC(=O)CS Amb24445028 [0,1,0,0,0,1|1,1,0]=4 4959 B9R0.24 CCC(C)CNC(=O)NN Amb24442838 [0,1,0,0,0,1|2,0,0]=4 4960 B9R0.24 CCC(C)CNC(=O)OC Amb25054721 [0,1,0,0,0,1|1,0,0]=3 4961 B9R0.24 CCC(C)COC(=O)C=C Amb17934097 [0,1,0,0,0,1|2,0,0]=4 4962 B9R0.24 CCC(C)COC(=O)CBr Amb25799480 [0,1,0,0,0,1|2,0,0]=4 4963 B9R0.24 CCC(C)C\C=C(/C)\C=O Amb24646940 [0,1,0,0,0,1|2,0,0]=4 4964 B9R0.24 CCC(C)NCC(=O)C#C Amb25679968 [0,1,0,0,0,1|2,0,0]=4 4965 B9R0.24 CCC(C)NCC(=O)C=C Amb24411222 [0,1,0,0,0,1|2,0,0]=4 4966 B9R0.24 CCC(C)NCC(=O)NN Amb25338630 [0,1,0,0,0,1|2,0,0]=4 4967 B9R0.24 CCC(C)NCC(=O)NO Amb24668363 [0,1,0,0,0,1|1,0,0]=3 4968 B9R0.24 CCC(C)NCC(N)=NO Amb25055504 [0,1,0,0,0,1|2,0,0]=4 4969 B9R0.24 CCC(C)OCC(=O)NC Amb24482829 [0,1,0,0,0,1|2,0,0]=4 4970 B9R0.24 CCC(C)OCC(=O)NN Amb19960445 [0,1,0,0,0,1|2,0,0]=4 4971 B9R0.24 CCC(C)OCC(=O)NO Amb25220786 [0,1,0,0,0,1|1,0,0]=3 4972 B9R0.24 CCC(C)ONC(=O)CO Amb24705434 [0,1,0,0,0,1|2,0,0]=4 4973 B9R0.24 CCC(C)SCC(=O)C#C Amb25809269 [0,1,0,0,0,1|2,0,0]=4 4974 B9R0.24 CCC(C)SCC(=O)NN Amb24658136 [0,1,0,0,0,1|2,0,0]=4 4975 B9R0.24 CCC(N)CNC(=O)OC Amb24427801 [0,1,0,0,0,1|2,0,0]=4 4976 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [0,1,0,0,0,1|2,0,0]=4 4977 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [0,1,0,0,0,1|2,0,0]=4 4978 B9R0.24 CC[C@H](C)CCC(=C)C=O Amb25075582 [0,1,0,0,0,1|2,0,0]=4 4979 B9R0.24 CC[C@H](C)CNC(=O)OC Amb24549768 [0,1,0,0,0,1|1,0,0]=3 4980 B9R0.24 CC[C@H](C)COC(=O)CBr Amb24477461 [0,1,0,0,0,1|2,0,0]=4 4981 B9R0.24 CC[C@H](O)CCC(=O)OC Amb24377641 [0,1,0,0,0,1|2,0,0]=4 4982 B9R0.24 CNC(=O)CSC(C)CO Amb24623354 [0,1,0,0,0,1|1,0,0]=3 4983 B9R0.24 CNC(=O)NCC(C)CN Amb18908393 [0,1,0,0,0,1|2,0,0]=4 4984 B9R0.24 CNC(=O)OCC(C)CBr Amb25680259 [0,1,0,0,0,1|2,0,0]=4 4985 B9R0.24 CNC(=O)OCC(N)CO Amb24734055 [0,1,0,0,0,1|2,0,0]=4 4986 B9R0.24 CNC(C)CNC(=O)OC Amb24601169 [0,1,0,0,0,1|2,0,0]=4 4987 B9R0.24 COC(=O)C#CC(O)CO Amb25221028 [0,1,0,0,0,1|1,0,1]=4 4988 B9R0.24 COC(=O)C#C[C@@H](O)CO Amb25686299 [0,1,0,0,0,1|1,0,1]=4 4989 B9R0.24 COC(=O)CCC(Br)CBr Amb25343381 [0,1,0,0,0,1|2,0,0]=4 4990 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [0,1,0,0,0,1|0,0,2]=4 4991 B9R0.24 COC(=O)CCC(C)CBr Amb25032347 [0,1,0,0,0,1|1,0,0]=3 4992 B9R0.24 COC(=O)CCC(C)SC Amb24709195 [0,1,0,0,0,1|2,0,0]=4 4993 B9R0.24 COC(=O)CCC(Cl)CCl Amb25241534 [0,1,0,0,0,1|2,0,0]=4 4994 B9R0.24 COC(=O)CCC(N)CF Amb24517084 [0,1,0,0,0,1|2,0,0]=4 4995 B9R0.24 COC(=O)CCC(O)CBr Amb25044783 [0,1,0,0,0,1|2,0,0]=4 4996 B9R0.24 COC(=O)CCC(O)CN Amb25857935 [0,1,0,0,0,1|2,0,0]=4 4997 B9R0.24 COC(=O)CCC(O)CO Amb25204294 [0,1,0,0,0,1|1,0,0]=3 4998 B9R0.24 COC(=O)CC[C@@H](C)C=O Amb25104821 [0,1,0,0,0,1|0,0,2]=4 4999 B9R0.24 COC(=O)CC[C@@H](O)CN Amb24744697 [0,1,0,0,0,1|2,0,0]=4 5000 B9R0.24 COC(=O)CNC(C)C=C Amb25693636 [0,1,0,0,0,1|1,0,1]=4 5001 B9R0.24 COC(=O)CNC(C)CN Amb25299776 [0,1,0,0,0,1|1,0,0]=3 5002 B9R0.24 COC(=O)COC(C)CN Amb24480966 [0,1,0,0,0,1|1,0,0]=3 5003 B9R0.24 COC(=O)CSC(C)C#N Amb18800109 [0,1,0,0,0,1|1,0,1]=4 5004 B9R0.24 COC(=O)CSC(C)CO Amb25070989 [0,1,0,0,0,1|0,0,0]=2 5005 B9R0.24 COC(=O)NCC(C)CN Amb18313166 [0,1,0,0,0,1|1,0,0]=3 5006 B9R0.24 COC(=O)NCC(C)SC Amb25206873 [0,1,0,0,0,1|2,0,0]=4 5007 B9R0.24 COC(=O)NCC(Cl)CCl Amb25106564 [0,1,0,0,0,1|2,0,0]=4 5008 B9R0.24 COC(=O)NCC(O)CN Amb24589991 [0,1,0,0,0,1|2,0,0]=4 5009 B9R0.24 COC(=O)NOC(C)CC Amb24524318 [0,1,0,0,0,1|2,0,0]=4 5010 B9R0.24 COC(=O)OCC(Cl)CF Amb25211615 [0,1,0,0,0,1|2,0,0]=4 5011 B9R0.24 COC(=O)OCC(F)CCl Amb25774919 [0,1,0,0,0,1|2,0,0]=4 5012 B9R0.24 COC(=O)\C=C\C(Br)CO Amb24574708 [0,1,0,0,0,1|1,0,1]=4 5013 B9R0.24 COC(=O)\C=C\C(C)CN Amb25229568 [0,1,0,0,0,1|1,0,1]=4 5014 B9R0.24 COC(=O)\C=C\C(N)CO Amb25326734 [0,1,0,0,0,1|1,0,1]=4 5015 B9R0.24 COC(=O)\C=C\C(O)CO Amb25781778 [0,1,0,0,0,1|1,0,1]=4 5016 B9R0.24 COC(=O)\C=C\[C@H](C)CO Amb24749656 [0,1,0,0,0,1|0,0,1]=3 5017 B9R0.24 COC(=O)\C=C\[C@H](O)CO Amb25721174 [0,1,0,0,0,1|1,0,1]=4 5018 B9R0.24 COC(=S)SCC(C)CO Amb24723366 [0,1,0,0,0,1|0,1,0]=3 5019 B9R0.24 COC(C)COC(=O)CO Amb24752113 [0,1,0,0,0,1|2,0,0]=4 5020 B9R0.24 COC(C)COC(C)CO Amb22733980 [0,1,0,0,0,1|1,0,1]=4 5021 B9R0.24 CSC(C)CCC(=O)NO Amb24538243 [0,1,0,0,0,1|2,0,0]=4 5022 B9R0.24 CSC(C)CNC(=O)CO Amb25322962 [0,1,0,0,0,1|2,0,0]=4 5023 B9R0.24 C[C@@H](CCC(=O)CC)CC Amb24645778 [0,1,0,0,0,1|2,0,0]=4 5024 B9R0.24 C[C@H](CCC(=O)CC)CC Amb25094462 [0,1,0,0,0,1|2,0,0]=4 5025 B9R0.24 C[C@H](CC[C@@H](C)CO)CO Amb25236144 [0,1,0,0,0,1|1,0,1]=4 5026 B9R0.24 NCC(=O)OCC(O)CO Amb24361035 [0,1,0,0,0,1|2,0,0]=4 5027 B9R0.24 OC(COC(=O)CO)CO Amb25854328 [0,1,0,0,0,1|1,0,0]=3 5028 B9R0.24 OCC(=O)CCC(=O)CO Amb25358920 [0,1,0,0,0,1|1,0,1]=4 5029 B9R0.24 OCC(COC(=O)CS)O Amb16232257 [0,1,0,0,0,1|1,1,0]=4 5030 B9R0.24 OCC(O)CCC(O)C=O Amb25713052 [0,1,0,0,0,1|1,0,1]=4 5031 B9R0.24 OCC(O)CNC(=O)CCl Amb22754889 [0,1,0,0,0,1|2,0,0]=4 5032 B9R0.24 OCC(O)COC(=O)CBr Amb25287206 [0,1,0,0,0,1|2,0,0]=4 5033 B9R0.24 OC[C@H](O)CC[C@@H](O)C=O Amb25059567 [0,1,0,0,0,1|1,0,1]=4 5034 B9R0.24 OC[C@H](O)CC[C@H](O)C=O Amb24456857 [0,1,0,0,0,1|1,0,1]=4 5035 B9R0.24 OC[C@H](O)CNC(=O)CCl Amb25839877 [0,1,0,0,0,1|2,0,0]=4 5036 B9R0.24 O[C@H](CO)\C=C\C(=O)CO Amb25834436 [0,1,0,0,0,1|1,0,1]=4 5037 B9R0.42 C=C(CC(N)CN)C(O)=O Amb24502423 [0,1,0,0,0,1|2,0,0]=4 5038 B9R0.42 CC(=NC(C)CO)C(C)=O Amb24706982 [0,1,0,0,0,1|1,0,1]=4 5039 B9R0.42 CC(=O)C(=O)CC(C)CC Amb24707036 [0,1,0,0,0,1|2,0,0]=4 5040 B9R0.42 CC(=O)C(=O)C[C@H](O)CO Amb25735840 [0,1,0,0,0,1|2,0,0]=4 5041 B9R0.42 CC(=O)C(=O)NC(C)CO Amb24749178 [0,1,0,0,0,1|1,0,1]=4 5042 B9R0.42 CC(=O)N(C)CC(N)CO Amb25275478 [0,1,0,0,0,1|2,0,0]=4 5043 B9R0.42 CC(=O)N(C)C[C@H](N)CO Amb24411873 [0,1,0,0,0,1|2,0,0]=4 5044 B9R0.42 CC(CC(Br)C(O)=O)CN Amb24478240 [0,1,0,0,0,1|1,0,0]=3 5045 B9R0.42 CC(CC(C)C#N)C(O)=O Amb25694006 [0,1,0,0,0,1|1,0,1]=4 5046 B9R0.42 CC(CC(C)C=C)C(O)=O Amb18643935 [0,1,0,0,0,1|1,0,1]=4 5047 B9R0.42 CC(CC(C)C=O)C(O)=O Amb18644134 [0,1,0,0,0,1|0,0,2]=4 5048 B9R0.42 CC(CC(F)C(O)=O)CN Amb25265347 [0,1,0,0,0,1|1,0,0]=3 5049 B9R0.42 CC(CC(F)C(O)=O)OC Amb25298262 [0,1,0,0,0,1|2,0,0]=4 5050 B9R0.42 CC(CC(N)C(C)=O)CC Amb25747386 [0,1,0,0,0,1|2,0,0]=4 5051 B9R0.42 CC(CC(N)C(O)=O)C#C Amb25067277 [0,1,0,0,0,1|1,0,1]=4 5052 B9R0.42 CC(CC(N)C(O)=O)C#N Amb25262927 [0,1,0,0,0,1|1,0,1]=4 5053 B9R0.42 CC(CC(N)C(O)=O)C=C Amb25778211 [0,1,0,0,0,1|1,0,1]=4 5054 B9R0.42 CC(CC(N)C(O)=O)CC Amb18313985 [0,1,0,0,0,1|1,0,0]=3 5055 B9R0.42 CC(CC(N)C(O)=O)CC Amb20667726 [0,1,0,0,0,1|1,0,0]=3 5056 B9R0.42 CC(CC(N)C(O)=O)CCl Amb24480574 [0,1,0,0,0,1|1,0,0]=3 5057 B9R0.42 CC(CC(N)C(O)=O)CO Amb25147300 [0,1,0,0,0,1|0,0,0]=2 5058 B9R0.42 CC(CC(N)C(O)=O)NC Amb24711878 [0,1,0,0,0,1|2,0,0]=4 5059 B9R0.42 CC(CC(N)C(O)=O)OC Amb25147752 [0,1,0,0,0,1|2,0,0]=4 5060 B9R0.42 CC(CC(N)C(O)=O)SC Amb24365891 [0,1,0,0,0,1|2,0,0]=4 5061 B9R0.42 CC(CC(O)C(O)=O)=NO Amb25291967 [0,1,0,0,0,1|1,0,1]=4 5062 B9R0.42 CC(CC(O)C(O)=O)CC Amb25849308 [0,1,0,0,0,1|1,0,0]=3 5063 B9R0.42 CC(CC(O)CN)C(O)=O Amb25375725 [0,1,0,0,0,1|2,0,0]=4 5064 B9R0.42 CC(CC(S)C(O)=O)CC Amb18798152 [0,1,0,0,0,1|1,0,0]=3 5065 B9R0.42 CC(CC(S)C(O)=O)OC Amb24641528 [0,1,0,0,0,1|2,0,0]=4 5066 B9R0.42 CC(CC)OC(F)C(O)=O Amb25043871 [0,1,0,0,0,1|1,0,0]=3 5067 B9R0.42 CC(CF)NC(=O)C(O)=O Amb24591520 [0,1,0,0,0,1|1,0,1]=4 5068 B9R0.42 CC(CN(C)C(N)=O)CN Amb18292980 [0,1,0,0,0,1|2,0,0]=4 5069 B9R0.42 CC(CN)CC(C)C(O)=O Amb24717285 [0,1,0,0,0,1|1,0,0]=3 5070 B9R0.42 CC(CN)CN(C)C(C)=O Amb18523773 [0,1,0,0,0,1|2,0,0]=4 5071 B9R0.42 CC(CN)\C=C(\F)/C(O)=O Amb25213358 [0,1,0,0,0,1|1,0,1]=4 5072 B9R0.42 CC(CO)CN(C)C(C)=O Amb25136734 [0,1,0,0,0,1|1,0,0]=3 5073 B9R0.42 CC(CO)NC(=O)C(O)=O Amb25106609 [0,1,0,0,0,1|0,0,1]=3 5074 B9R0.42 CC(C[C@@H](N)C(O)=O)CC Amb25127143 [0,1,0,0,0,1|1,0,0]=3 5075 B9R0.42 CC(C[C@@H](N)C(O)=O)OC Amb24412403 [0,1,0,0,0,1|2,0,0]=4 5076 B9R0.42 CC(C[C@@H](N)C(O)=O)SC Amb24692660 [0,1,0,0,0,1|2,0,0]=4 5077 B9R0.42 CC(C[C@H](N)C(O)=O)C#C Amb25214668 [0,1,0,0,0,1|1,0,1]=4 5078 B9R0.42 CC(C[C@H](N)C(O)=O)CCl Amb24479195 [0,1,0,0,0,1|1,0,0]=3 5079 B9R0.42 CC(NC(C)C#C)C(O)=O Amb25088637 [0,1,0,0,0,1|1,0,1]=4 5080 B9R0.42 CC(NC(C)C=C)C(O)=O Amb18310595 [0,1,0,0,0,1|1,0,1]=4 5081 B9R0.42 CC(NC(C)CF)C(N)=O Amb25333137 [0,1,0,0,0,1|2,0,0]=4 5082 B9R0.42 CC(NC(C)CO)C(O)=O Amb18315378 [0,1,0,0,0,1|0,0,0]=2 5083 B9R0.42 CC(O)C(C)NC(C)CO Amb24400821 [0,1,0,0,0,1|1,0,1]=4 5084 B9R0.42 CC(O)C(C)SC(C)CO Amb25678017 [0,1,0,0,0,1|1,0,1]=4 5085 B9R0.42 CC(OC(=O)CO)C(O)=O Amb24480687 [0,1,0,0,0,1|1,0,1]=4 5086 B9R0.42 CC(OC(C)C#N)C(O)=O Amb25185255 [0,1,0,0,0,1|1,0,1]=4 5087 B9R0.42 CC(OC(C)CN)C(C)=O Amb18110684 [0,1,0,0,0,1|2,0,0]=4 5088 B9R0.42 CC(OC(C)CN)C(N)=O Amb24359073 [0,1,0,0,0,1|2,0,0]=4 5089 B9R0.42 CC(OC(C)CN)C(O)=O Amb18110542 [0,1,0,0,0,1|1,0,0]=3 5090 B9R0.42 CC(SC(C)C#N)C(O)=O Amb18292357 [0,1,0,0,0,1|1,0,1]=4 5091 B9R0.42 CC(SC(C)C=C)C(O)=O Amb18310581 [0,1,0,0,0,1|1,0,1]=4 5092 B9R0.42 CC(SC(C)CN)C(N)=O Amb25707956 [0,1,0,0,0,1|2,0,0]=4 5093 B9R0.42 CC(SC(C)CN)C(O)=O Amb25096975 [0,1,0,0,0,1|1,0,0]=3 5094 B9R0.42 CC(SC(C)CO)C(N)=N Amb24332459 [0,1,0,0,0,1|2,0,0]=4 5095 B9R0.42 CC(SC(C)CO)C(O)=O Amb24687156 [0,1,0,0,0,1|0,0,0]=2 5096 B9R0.42 CCC(C)CC(C)C(C)=O Amb25056188 [0,1,0,0,0,1|2,0,0]=4 5097 B9R0.42 CCC(C)CC(C)C(O)=O Amb22228338 [0,1,0,0,0,1|1,0,0]=3 5098 B9R0.42 CCC(C)NC(=N)C(O)=O Amb25366732 [0,1,0,0,0,1|1,0,1]=4 5099 B9R0.42 CCC(C)N[C@@H](C)C(O)=O Amb25691180 [0,1,0,0,0,1|1,0,0]=3 5100 B9R0.42 CCC(C)N[C@H](C)C(O)=O Amb24375136 [0,1,0,0,0,1|1,0,0]=3 5101 B9R0.42 CCC(C)OC(=O)C(O)=O Amb24629707 [0,1,0,0,0,1|1,0,1]=4 5102 B9R0.42 CCC(C)OC(C)C(O)=O Amb25357779 [0,1,0,0,0,1|1,0,0]=3 5103 B9R0.42 CCC(C)SC(C)C(N)=O Amb18800585 [0,1,0,0,0,1|2,0,0]=4 5104 B9R0.42 CCC(C)\C=C(/Cl)\C(O)=O Amb24650875 [0,1,0,0,0,1|1,0,1]=4 5105 B9R0.42 CCC(C)\C=C(\F)/C(O)=O Amb25376745 [0,1,0,0,0,1|1,0,1]=4 5106 B9R0.42 CCC(Cl)CC(N)C(O)=O Amb24374416 [0,1,0,0,0,1|2,0,0]=4 5107 B9R0.42 CCC(O)CC(N)C(O)=O Amb24117068 [0,1,0,0,0,1|2,0,0]=4 5108 B9R0.42 CCC(O)C[C@H](N)C(O)=O Amb24759913 [0,1,0,0,0,1|2,0,0]=4 5109 B9R0.42 CCN(C)CC(=C)C(O)=O Amb24681944 [0,1,0,0,0,1|2,0,0]=4 5110 B9R0.42 CCN(C)CC(Cl)C(O)=O Amb25713950 [0,1,0,0,0,1|2,0,0]=4 5111 B9R0.42 CCN(C)CC(O)C(O)=O Amb25367420 [0,1,0,0,0,1|2,0,0]=4 5112 B9R0.42 CC[C@@H](C)C[C@H](C)C(O)=O Amb24426532 [0,1,0,0,0,1|1,0,0]=3 5113 B9R0.42 CC[C@@H](F)C[C@H](N)C(O)=O Amb25147291 [0,1,0,0,0,1|2,0,0]=4 5114 B9R0.42 CC[C@H](C)CC(=C)C(O)=O Amb25367282 [0,1,0,0,0,1|1,0,0]=3 5115 B9R0.42 CC[C@H](C)CC(C)C(C)=O Amb25821401 [0,1,0,0,0,1|2,0,0]=4 5116 B9R0.42 CC[C@H](C)C[C@@H](C)C(O)=O Amb24480420 [0,1,0,0,0,1|1,0,0]=3 5117 B9R0.42 CNC(C)CC(C)C(O)=O Amb25291515 [0,1,0,0,0,1|2,0,0]=4 5118 B9R0.42 CO[C@@H](C)C[C@H](C)C(O)=O Amb24691586 [0,1,0,0,0,1|2,0,0]=4 5119 B9R0.42 C[C@@H](CF)NC(=O)C(O)=O Amb25213683 [0,1,0,0,0,1|1,0,1]=4 5120 B9R0.42 C[C@@H](C[C@@H](C)C=C)C(O)=O Amb25756960 [0,1,0,0,0,1|1,0,1]=4 5121 B9R0.42 C[C@@H](C[C@@H](N)C(O)=O)CC Amb25844637 [0,1,0,0,0,1|1,0,0]=3 5122 B9R0.42 C[C@@H](C[C@H](C)C=C)C(O)=O Amb25757917 [0,1,0,0,0,1|1,0,1]=4 5123 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)C=C Amb25727679 [0,1,0,0,0,1|1,0,1]=4 5124 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CC Amb24619367 [0,1,0,0,0,1|1,0,0]=3 5125 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CF Amb25147611 [0,1,0,0,0,1|1,0,0]=3 5126 B9R0.42 C[C@@H](C[C@H](O)CN)C(O)=O Amb24447195 [0,1,0,0,0,1|2,0,0]=4 5127 B9R0.42 C[C@@H](NC(C)CN)C(O)=O Amb25291159 [0,1,0,0,0,1|1,0,0]=3 5128 B9R0.42 C[C@@H](N[C@@H](C)C#N)C(O)=O Amb24479136 [0,1,0,0,0,1|1,0,1]=4 5129 B9R0.42 C[C@@H](O)[C@H](C)C[C@H](C)CO Amb25220608 [0,1,0,0,0,1|1,0,1]=4 5130 B9R0.42 C[C@H](C[C@@H](N)C(O)=O)CC Amb25738618 [0,1,0,0,0,1|1,0,0]=3 5131 B9R0.42 C[C@H](C[C@H](C)C=C)C(O)=O Amb24352097 [0,1,0,0,0,1|1,0,1]=4 5132 B9R0.42 C[C@H](C[C@H](C)CO)C(O)=O Amb24480419 [0,1,0,0,0,1|0,0,0]=2 5133 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C#N Amb24529159 [0,1,0,0,0,1|1,0,1]=4 5134 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C=C Amb24561660 [0,1,0,0,0,1|1,0,1]=4 5135 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CC Amb25662528 [0,1,0,0,0,1|1,0,0]=3 5136 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CF Amb25378691 [0,1,0,0,0,1|1,0,0]=3 5137 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CO Amb25378739 [0,1,0,0,0,1|0,0,0]=2 5138 B9R0.42 C[C@H](C[C@H](N)C(O)=O)SC Amb25848560 [0,1,0,0,0,1|2,0,0]=4 5139 B9R0.42 C[C@H](C[C@H](O)C(O)=O)CC Amb24446982 [0,1,0,0,0,1|1,0,0]=3 5140 B9R0.42 C[C@H](OC(=O)CO)C(O)=O Amb24469338 [0,1,0,0,0,1|1,0,1]=4 5141 B9R0.42 C[C@H](OC(C)C#N)C(O)=O Amb25265720 [0,1,0,0,0,1|1,0,1]=4 5142 B9R0.42 C[C@H](OC(C)C=C)C(O)=O Amb25185256 [0,1,0,0,0,1|1,0,1]=4 5143 B9R0.42 C\C(=C/C(C)CC)\C(O)=O Amb18643945 [0,1,0,0,0,1|1,0,1]=4 5144 B9R0.42 C\C(\CCl)=C/[C@H](C)C(O)=O Amb25313581 [0,1,0,0,0,1|1,0,1]=4 5145 B9R0.42 C\C(\CO)=C/[C@H](C)C(C)=O Amb24371636 [0,1,0,0,0,1|1,0,1]=4 5146 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [0,1,0,0,0,1|1,0,1]=4 5147 B9R0.42 NC(CC(F)CN)C(O)=O Amb24709973 [0,1,0,0,0,1|2,0,0]=4 5148 B9R0.42 NC(CC(O)CCl)C(O)=O Amb20179638 [0,1,0,0,0,1|2,0,0]=4 5149 B9R0.42 NC(CC(O)CO)C(O)=O Amb18644388 [0,1,0,0,0,1|1,0,0]=3 5150 B9R0.42 NC(CC(O)CO)C(O)=O Amb24117285 [0,1,0,0,0,1|1,0,0]=3 5151 B9R0.42 NC[C@H](O)C[C@H](O)C(O)=O Amb24383534 [0,1,0,0,0,1|2,0,0]=4 5152 B9R0.42 N[C@@H](CC(F)CO)C(O)=O Amb24079182 [0,1,0,0,0,1|1,0,0]=3 5153 B9R0.42 N[C@@H](CC(O)CN)C(O)=O Amb24455060 [0,1,0,0,0,1|2,0,0]=4 5154 B9R0.42 N[C@@H](C[C@@H](O)CN)C(O)=O Amb25320209 [0,1,0,0,0,1|2,0,0]=4 5155 B9R0.42 N[C@@H](C[C@@H](O)CO)C(O)=O Amb24680903 [0,1,0,0,0,1|1,0,0]=3 5156 B9R0.42 N[C@@H](C[C@H](O)CCl)C(O)=O Amb25265266 [0,1,0,0,0,1|2,0,0]=4 5157 B9R0.42 N[C@@H](C[C@H](O)CN)C(O)=O Amb24446199 [0,1,0,0,0,1|2,0,0]=4 5158 B9R0.42 N[C@H](C[C@@H](O)CN)C(O)=O Amb24480730 [0,1,0,0,0,1|2,0,0]=4 5159 B9R0.42 N[C@H](C[C@H](O)CN)C(O)=O Amb25147418 [0,1,0,0,0,1|2,0,0]=4 5160 B9R0.42 OC(=O)C(=O)CC(O)CO Amb25733244 [0,1,0,0,0,1|1,0,0]=3 5161 B9R0.42 OCC(O)CC(O)C(O)=O Amb18644410 [0,1,0,0,0,1|1,0,0]=3 5162 B9R0.42 OC[C@@H](O)C[C@@H](O)C(O)=O Amb25227512 [0,1,0,0,0,1|1,0,0]=3 5163 B9R0.42 OC[C@@H](O)C[C@H](O)C(O)=O Amb25336564 [0,1,0,0,0,1|1,0,0]=3 5164 B9R0.42 OC[C@H](O)C[C@@H](O)C(O)=O Amb25774509 [0,1,0,0,0,1|1,0,0]=3 5165 B9R0.43 C=C(Cl)CNC(CO)CO Amb25775608 [0,1,0,0,0,1|2,0,0]=4 5166 B9R0.43 CC(=C)CNC(CO)CO Amb24360239 [0,1,0,0,0,1|2,0,0]=4 5167 B9R0.43 CC(=O)CSC(CC)CC Amb24431275 [0,1,0,0,0,1|2,0,0]=4 5168 B9R0.43 CC(=O)OCC(CCl)CCl Amb24726208 [0,1,0,0,0,1|2,0,0]=4 5169 B9R0.43 CC(=O)OC[C@H](CO)C=C Amb25284293 [0,1,0,0,0,1|1,0,1]=4 5170 B9R0.43 CCC(C#N)SCC(O)=O Amb18182420 [0,1,0,0,0,1|1,0,1]=4 5171 B9R0.43 CCC(CC)=CCC(O)=O Amb24358562 [0,1,0,0,0,1|1,0,1]=4 5172 B9R0.43 CCC(CC)SCC(N)=O Amb25769020 [0,1,0,0,0,1|2,0,0]=4 5173 B9R0.43 CCC(CC)\C=C\C(O)=O Amb24375784 [0,1,0,0,0,1|1,0,1]=4 5174 B9R0.43 CCC(CCC(N)=O)CC Amb25784811 [0,1,0,0,0,1|2,0,0]=4 5175 B9R0.43 CCC(CCC(O)=O)=CC Amb24480728 [0,1,0,0,0,1|1,0,1]=4 5176 B9R0.43 CCC(CCC(O)=O)C#N Amb18643712 [0,1,0,0,0,1|1,0,1]=4 5177 B9R0.43 CCC(CCC(O)=O)C=O Amb25378745 [0,1,0,0,0,1|0,0,2]=4 5178 B9R0.43 CCC(CCC(O)=O)NN Amb24478238 [0,1,0,0,0,1|2,0,0]=4 5179 B9R0.43 CCC(CCl)COC(C)=O Amb24480383 [0,1,0,0,0,1|2,0,0]=4 5180 B9R0.43 CCC(CNC(C)=O)OC Amb25852654 [0,1,0,0,0,1|2,0,0]=4 5181 B9R0.43 CCC(CNC(N)=O)CC Amb25789490 [0,1,0,0,0,1|2,0,0]=4 5182 B9R0.43 CCC(CO)COC(N)=O Amb25840638 [0,1,0,0,0,1|1,0,0]=3 5183 B9R0.43 CCC(CO)NCC(=C)Cl Amb18800732 [0,1,0,0,0,1|2,0,0]=4 5184 B9R0.43 CCC(CO)NCC(C)=C Amb24469956 [0,1,0,0,0,1|2,0,0]=4 5185 B9R0.43 CCC(COC(=O)Cl)CC Amb25142812 [0,1,0,0,0,1|2,0,0]=4 5186 B9R0.43 CCC(NCC(=O)N)CC Amb1121177 [0,1,0,0,0,1|2,0,0]=4 5187 B9R0.43 CCC(\C=C\C(O)=O)OC Amb24707577 [0,1,0,0,0,1|1,0,1]=4 5188 B9R0.43 CCP(CCC(O)=O)CC Amb24390842 [0,1,0,0,0,1|2,0,0]=4 5189 B9R0.43 CC[C@@H](CBr)COC(C)=O Amb24441456 [0,1,0,0,0,1|2,0,0]=4 5190 B9R0.43 CC[C@@H](CCC(O)=O)NN Amb24640349 [0,1,0,0,0,1|2,0,0]=4 5191 B9R0.43 CC[S+](CCC(O)=O)CC Amb24702750 [0,1,0,0,0,1|2,0,0]=4 5192 B9R0.43 CN[C@H](CS)CCC(O)=O Amb24482183 [0,1,0,0,0,1|0,1,0]=3 5193 B9R0.43 COC(CBr)CNC(N)=O Amb25726341 [0,1,0,0,0,1|2,0,0]=4 5194 B9R0.43 COC(CCC(O)=O)OC Amb24657204 [0,1,0,0,0,1|2,0,0]=4 5195 B9R0.43 COC(COC(C)=O)CC Amb24323241 [0,1,0,0,0,1|2,0,0]=4 5196 B9R0.43 CO[C@H](CN)CCC(O)=O Amb24544386 [0,1,0,0,0,1|1,0,0]=3 5197 B9R0.43 CO[C@H](CO)CC=C(C)C Amb25769426 [0,1,0,0,0,1|2,0,0]=4 5198 B9R0.43 CO[C@H](CO)COC(C)=O Amb25271459 [0,1,0,0,0,1|1,0,0]=3 5199 B9R0.43 CS(=O)CCC(CO)CO Amb24538997 [0,1,0,0,0,1|2,0,0]=4 5200 B9R0.43 C[C@@H](O)CNC(CO)CC Amb25840919 [0,1,0,0,0,1|1,0,1]=4 5201 B9R0.43 C[C@@H](O)CNC(CO)CO Amb25663325 [0,1,0,0,0,1|1,0,1]=4 5202 B9R0.43 C[C@H](O)CNC(CO)CO Amb24393064 [0,1,0,0,0,1|1,0,1]=4 5203 B9R0.43 NC(=O)CNC(CO)CO Amb24402052 [0,1,0,0,0,1|1,0,0]=3 5204 B9R0.43 NCC(CCC(O)=O)=NO Amb24591142 [0,1,0,0,0,1|1,0,1]=4 5205 B9R0.43 NCC(CCC(O)=O)CN Amb25062561 [0,1,0,0,0,1|1,0,0]=3 5206 B9R0.43 OC(=O)COC(CF)CF Amb25095931 [0,1,0,0,0,1|1,0,0]=3 5207 B9R0.48 C#CCC(O)CCC(O)=O Amb25077171 [0,1,0,0,0,1|2,0,0]=4 5208 B9R0.48 C#CCN(CCC(=O)O)C Amb17561257 [0,1,0,0,0,1|2,0,0]=4 5209 B9R0.48 C=CCC(N)CCC(O)=O Amb25132628 [0,1,0,0,0,1|2,0,0]=4 5210 B9R0.48 C=CCN(CCC(=O)O)C Amb17334214 [0,1,0,0,0,1|2,0,0]=4 5211 B9R0.48 C=CC[C@@H](N)CCC(O)=O Amb25308063 [0,1,0,0,0,1|2,0,0]=4 5212 B9R0.48 CC#CC(C)SCC(O)=O Amb24482141 [0,1,0,0,0,1|1,0,1]=4 5213 B9R0.48 CC(=O)OCC(O)CCO Amb24371331 [0,1,0,0,0,1|2,0,0]=4 5214 B9R0.48 CC(CC#C)CCC(O)=O Amb25331115 [0,1,0,0,0,1|1,0,0]=3 5215 B9R0.48 CC(CC#N)=CCC(O)=O Amb24480771 [0,1,0,0,0,1|1,0,1]=4 5216 B9R0.48 CC(CC#N)CCC(C)=O Amb18124541 [0,1,0,0,0,1|2,0,0]=4 5217 B9R0.48 CC(CC#N)CCC(O)=O Amb25826195 [0,1,0,0,0,1|1,0,0]=3 5218 B9R0.48 CC(CC#N)NCC(N)=O Amb19006655 [0,1,0,0,0,1|2,0,0]=4 5219 B9R0.48 CC(CC=C)CNC(C)=O Amb24351217 [0,1,0,0,0,1|2,0,0]=4 5220 B9R0.48 CC(CC=C)NCC(O)=O Amb25096722 [0,1,0,0,0,1|1,0,0]=3 5221 B9R0.48 CC(CC=C)OCC(O)=O Amb25064284 [0,1,0,0,0,1|1,0,0]=3 5222 B9R0.48 CC(CC=O)COC(C)=O Amb18644137 [0,1,0,0,0,1|1,0,1]=4 5223 B9R0.48 CC(CCBr)COC(C)=O Amb24759472 [0,1,0,0,0,1|2,0,0]=4 5224 B9R0.48 CC(CCC(C)=O)=CCO Amb24656003 [0,1,0,0,0,1|1,0,1]=4 5225 B9R0.48 CC(CCC(C)O)COC Amb25378257 [0,1,0,0,0,1|1,0,1]=4 5226 B9R0.48 CC(CCC(O)=O)NC=O Amb24602293 [0,1,0,0,0,1|0,0,2]=4 5227 B9R0.48 CC(CCCl)COC(C)=O Amb25757525 [0,1,0,0,0,1|2,0,0]=4 5228 B9R0.48 CC(CCN)CCC(N)=O Amb19515543 [0,1,0,0,0,1|2,0,0]=4 5229 B9R0.48 CC(CCN)CCC(O)=O Amb18124749 [0,1,0,0,0,1|1,0,0]=3 5230 B9R0.48 CC(CCO)CC=C(C)C Amb24397049 [0,1,0,0,0,1|2,0,0]=4 5231 B9R0.48 CC(CCO)COC(C)=O Amb24524456 [0,1,0,0,0,1|1,0,0]=3 5232 B9R0.48 CC(CCO)NCC(C)=C Amb25138314 [0,1,0,0,0,1|2,0,0]=4 5233 B9R0.48 CC(CCO)SCC(=C)Br Amb24634521 [0,1,0,0,0,1|2,0,0]=4 5234 B9R0.48 CC(CCO)SCC(N)=N Amb25777250 [0,1,0,0,0,1|2,0,0]=4 5235 B9R0.48 CC(CCO)SCC(N)=O Amb25122527 [0,1,0,0,0,1|1,0,0]=3 5236 B9R0.48 CC(CCO)SCC(O)=O Amb25056289 [0,1,0,0,0,1|0,0,0]=2 5237 B9R0.48 CC(COC(C)=O)OCCl Amb24746780 [0,1,0,0,0,1|2,0,0]=4 5238 B9R0.48 CC(CSC)=CCC(O)=O Amb25238257 [0,1,0,0,0,1|0,1,1]=4 5239 B9R0.48 CC(O)CNC(C)CCO Amb25048906 [0,1,0,0,0,1|1,0,1]=4 5240 B9R0.48 CC(O)CSC(C)CCO Amb24373349 [0,1,0,0,0,1|1,0,1]=4 5241 B9R0.48 CCCC(Br)CCC(O)=O Amb24469305 [0,1,0,0,0,1|2,0,0]=4 5242 B9R0.48 CCCC(C)COC(=O)Cl Amb25783542 [0,1,0,0,0,1|2,0,0]=4 5243 B9R0.48 CCCC(C)COC(C)=O Amb22735194 [0,1,0,0,0,1|2,0,0]=4 5244 B9R0.48 CCCC(C)OCC(N)=O Amb25227310 [0,1,0,0,0,1|2,0,0]=4 5245 B9R0.48 CCCC(C)OCC(O)=O Amb18124782 [0,1,0,0,0,1|1,0,0]=3 5246 B9R0.48 CCCC(CCC(=O)C)C Amb10807385 [0,1,0,0,0,1|2,0,0]=4 5247 B9R0.48 CCCC(CCC(=O)O)N Amb1014101 [0,1,0,0,0,1|2,0,0]=4 5248 B9R0.48 CCCC(Cl)CCC(O)=O Amb23590328 [0,1,0,0,0,1|2,0,0]=4 5249 B9R0.48 CCCC(O)CCC(O)=O Amb17689110 [0,1,0,0,0,1|2,0,0]=4 5250 B9R0.48 CCCN(C)CCC(O)=O Amb19280988 [0,1,0,0,0,1|2,0,0]=4 5251 B9R0.48 CCC[C@@H](C)CCC(O)=O Amb24548514 [0,1,0,0,0,1|1,0,0]=3 5252 B9R0.48 CCC[C@H](C)CCC(O)=O Amb24446759 [0,1,0,0,0,1|1,0,0]=3 5253 B9R0.48 CCC[C@H](N)CCC(O)=O Amb25211817 [0,1,0,0,0,1|2,0,0]=4 5254 B9R0.48 CCNC(C)CCC(O)=O Amb24394614 [0,1,0,0,0,1|1,0,0]=3 5255 B9R0.48 CCN[C@@H](C)CNC(N)=O Amb25811109 [0,1,0,0,0,1|2,0,0]=4 5256 B9R0.48 CCN[C@H](C)CNC(N)=O Amb24570937 [0,1,0,0,0,1|2,0,0]=4 5257 B9R0.48 CCOC(C)C#CC(O)=O Amb24480724 [0,1,0,0,0,1|1,0,1]=4 5258 B9R0.48 CCOC(C)CCC(O)=O Amb24690847 [0,1,0,0,0,1|1,0,0]=3 5259 B9R0.48 CCOC(C)OCC(C)=O Amb24752470 [0,1,0,0,0,1|2,0,0]=4 5260 B9R0.48 CCOC(C)SCC(O)=O Amb24443054 [0,1,0,0,0,1|1,0,0]=3 5261 B9R0.48 CCSC(C)CCC(O)=O Amb18800669 [0,1,0,0,0,1|1,0,0]=3 5262 B9R0.48 CN(CCF)CCC(O)=O Amb25054517 [0,1,0,0,0,1|2,0,0]=4 5263 B9R0.48 CNCC(O)CCC(O)=O Amb24745159 [0,1,0,0,0,1|2,0,0]=4 5264 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,1,0,0,0,1|1,0,1]=4 5265 B9R0.48 COCC(Br)CNC(C)=O Amb25707089 [0,1,0,0,0,1|2,0,0]=4 5266 B9R0.48 COCC(C)CCC(O)=O Amb25340432 [0,1,0,0,0,1|0,0,0]=2 5267 B9R0.48 COCC(C)CNC(C)=N Amb24721998 [0,1,0,0,0,1|2,0,0]=4 5268 B9R0.48 COCC(C)CNC(C)=O Amb25099602 [0,1,0,0,0,1|1,0,0]=3 5269 B9R0.48 COCC(C)CNC(N)=N Amb25250271 [0,1,0,0,0,1|2,0,0]=4 5270 B9R0.48 COCC(C)CNC(N)=O Amb25809151 [0,1,0,0,0,1|1,0,0]=3 5271 B9R0.48 COCC(C)CNC(N)=S Amb18788151 [0,1,0,0,0,1|1,1,0]=4 5272 B9R0.48 COCC(C)NCC(=C)Cl Amb18800733 [0,1,0,0,0,1|2,0,0]=4 5273 B9R0.48 COCC(C)NCC(O)=O Amb19408155 [0,1,0,0,0,1|0,0,0]=2 5274 B9R0.48 COCC(C)OCC(C)O Amb24064024 [0,1,0,0,0,1|1,0,1]=4 5275 B9R0.48 COCC(C)OCC(N)=O Amb25146467 [0,1,0,0,0,1|1,0,0]=3 5276 B9R0.48 COCC(C)OCC(N)=S Amb25146450 [0,1,0,0,0,1|1,1,0]=4 5277 B9R0.48 COCC(C)OC[C@@H](C)O Amb25145657 [0,1,0,0,0,1|1,0,1]=4 5278 B9R0.48 COCC(C)OC[C@H](C)O Amb24465390 [0,1,0,0,0,1|1,0,1]=4 5279 B9R0.48 COCC(C)ONC(C)=O Amb25681602 [0,1,0,0,0,1|2,0,0]=4 5280 B9R0.48 COCC(C)ONC(N)=O Amb24625263 [0,1,0,0,0,1|2,0,0]=4 5281 B9R0.48 COCC(C)SCC(=C)Br Amb24403555 [0,1,0,0,0,1|2,0,0]=4 5282 B9R0.48 COCC(C)SCC(C)=C Amb24474742 [0,1,0,0,0,1|2,0,0]=4 5283 B9R0.48 COCC(Cl)COC(C)=O Amb24710120 [0,1,0,0,0,1|2,0,0]=4 5284 B9R0.48 COCC(O)CCC(C)=O Amb24438108 [0,1,0,0,0,1|2,0,0]=4 5285 B9R0.48 COCC(O)CNC(C)=O Amb24731685 [0,1,0,0,0,1|2,0,0]=4 5286 B9R0.48 COCC(O)COC(C)=O Amb25346275 [0,1,0,0,0,1|2,0,0]=4 5287 B9R0.48 COC[C@@H](O)CNC(N)=O Amb25681169 [0,1,0,0,0,1|2,0,0]=4 5288 B9R0.48 COC[C@H](O)CNC(C)=O Amb24447557 [0,1,0,0,0,1|2,0,0]=4 5289 B9R0.48 COC[C@H](O)CNC(N)=O Amb24482761 [0,1,0,0,0,1|2,0,0]=4 5290 B9R0.48 COC[C@H](O)COC(C)=O Amb24687445 [0,1,0,0,0,1|2,0,0]=4 5291 B9R0.48 CSCC(C)COC(=O)Cl Amb25370807 [0,1,0,0,0,1|1,1,0]=4 5292 B9R0.48 CSCC(C)NCC(O)=O Amb25701279 [0,1,0,0,0,1|0,1,0]=3 5293 B9R0.48 CSS[C@@H](C)CCC(O)=O Amb25798967 [0,1,0,0,0,1|1,1,0]=4 5294 B9R0.48 CSS[C@H](C)CCC(O)=O Amb24652619 [0,1,0,0,0,1|1,1,0]=4 5295 B9R0.48 C[C@@H](CC=O)CCC(O)=O Amb24505022 [0,1,0,0,0,1|0,0,1]=3 5296 B9R0.48 C[C@@H](CCS)CCC(O)=O Amb24693959 [0,1,0,0,0,1|0,1,0]=3 5297 B9R0.48 C[C@H](CCBr)CCC(O)=O Amb24585993 [0,1,0,0,0,1|1,0,0]=3 5298 B9R0.48 C[C@H](CCO)CCC(C)=O Amb25319945 [0,1,0,0,0,1|1,0,0]=3 5299 B9R0.48 C[C@H](CCO)OCC(C)=C Amb25848415 [0,1,0,0,0,1|2,0,0]=4 5300 B9R0.48 C[C@H](O)CSC(C)CCO Amb25137385 [0,1,0,0,0,1|1,0,1]=4 5301 B9R0.48 C\C(\CC=C)=C\CC(O)=O Amb24707088 [0,1,0,0,0,1|1,0,1]=4 5302 B9R0.48 C\C(\CCC(C)=O)=C/CO Amb25142674 [0,1,0,0,0,1|1,0,1]=4 5303 B9R0.48 C\C(\CCC(C)=O)=C\CO Amb25172142 [0,1,0,0,0,1|1,0,1]=4 5304 B9R0.48 C\C(\CCC(O)=O)=C/CO Amb25694396 [0,1,0,0,0,1|0,0,1]=3 5305 B9R0.48 C\C(\CSC)=C\CC(O)=O Amb18126246 [0,1,0,0,0,1|0,1,1]=4 5306 B9R0.48 N#CCN(CCC(=O)O)C Amb17561163 [0,1,0,0,0,1|2,0,0]=4 5307 B9R0.48 NC(CC#N)CCC(O)=O Amb24595715 [0,1,0,0,0,1|2,0,0]=4 5308 B9R0.48 NC(CCS)CCC(O)=O Amb24453471 [0,1,0,0,0,1|1,1,0]=4 5309 B9R0.48 NN(CCO)CCC(O)=O Amb25259231 [0,1,0,0,0,1|2,0,0]=4 5310 B9R0.48 NOCC(=O)NCC(O)=O Amb25359771 [0,1,0,0,0,1|1,0,1]=4 5311 B9R0.48 N[C@@H](CCO)CCC(O)=O Amb25756968 [0,1,0,0,0,1|1,0,0]=3 5312 B9R0.48 N[C@H](CC#N)CCC(O)=O Amb24541852 [0,1,0,0,0,1|2,0,0]=4 5313 B9R0.48 OC(=O)CCC(=O)CCO Amb25265246 [0,1,0,0,0,1|1,0,1]=4 5314 B9R0.48 OC(=O)CNC(=O)CCO Amb24745672 [0,1,0,0,0,1|1,0,1]=4 5315 B9R0.48 OC(CCS)CCC(O)=O Amb25320980 [0,1,0,0,0,1|1,1,0]=4 5316 B9R0.48 OCCN(CCC(=O)Cl)C Amb17142907 [0,1,0,0,0,1|2,0,0]=4 5317 B9R0.48 OCCN(CCC(=O)N)C Amb17142868 [0,1,0,0,0,1|2,0,0]=4 5318 B9R0.48 OCC[C@H](O)CCC(O)=O Amb25843738 [0,1,0,0,0,1|1,0,0]=3 5319 B9R0.64 CC(=C)CSC(C)(C)CO Amb24352529 [0,1,0,0,0,1|2,0,0]=4 5320 B9R0.64 CC(=O)CCC(C)(O)CO Amb25713212 [0,1,0,0,0,1|1,0,0]=3 5321 B9R0.64 CC(=O)COC(C)(C)CCl Amb25739312 [0,1,0,0,0,1|2,0,0]=4 5322 B9R0.64 CC(=O)NCC(C)(C)CN Amb25810145 [0,1,0,0,0,1|2,0,0]=4 5323 B9R0.64 CC(=O)NCC(C)(O)CO Amb25685703 [0,1,0,0,0,1|1,0,0]=3 5324 B9R0.64 CC(=O)OCC(C)(C)CBr Amb25350030 [0,1,0,0,0,1|2,0,0]=4 5325 B9R0.64 CC(=O)OCC(C)(C)CCl Amb24560912 [0,1,0,0,0,1|2,0,0]=4 5326 B9R0.64 CC(=O)OCP(C)(=O)CO Amb24464309 [0,1,0,0,0,1|2,0,0]=4 5327 B9R0.64 CC(=O)\C=C\C(C)(C)CO Amb25053097 [0,1,0,0,0,1|1,0,1]=4 5328 B9R0.64 CC(C)(C#C)NCC(O)=O Amb25146466 [0,1,0,0,0,1|1,0,1]=4 5329 B9R0.64 CC(C)(C#N)NCC(O)=O Amb25699825 [0,1,0,0,0,1|1,0,1]=4 5330 B9R0.64 CC(C)(C=C)OCC(O)=O Amb25359044 [0,1,0,0,0,1|1,0,1]=4 5331 B9R0.64 CC(C)(CCC(O)=O)C#C Amb24480418 [0,1,0,0,0,1|1,0,1]=4 5332 B9R0.64 CC(C)(CCC(O)=O)C=O Amb18644118 [0,1,0,0,0,1|0,0,2]=4 5333 B9R0.64 CC(C)(CCC(O)=O)N=O Amb24428514 [0,1,0,0,0,1|1,0,1]=4 5334 B9R0.64 CC(C)(CO)CNC(N)=O Amb18831448 [0,1,0,0,0,1|1,0,0]=3 5335 B9R0.64 CC(C)(CO)NCC(=C)Br Amb18303320 [0,1,0,0,0,1|2,0,0]=4 5336 B9R0.64 CC(C)(CO)NCC(=C)Cl Amb18303321 [0,1,0,0,0,1|2,0,0]=4 5337 B9R0.64 CC(C)(CO)SCC(=C)Br Amb25132911 [0,1,0,0,0,1|2,0,0]=4 5338 B9R0.64 CC(C)(CO)SCC(=C)Cl Amb25172102 [0,1,0,0,0,1|2,0,0]=4 5339 B9R0.64 CC(C)(CO)SCC(N)=N Amb25172088 [0,1,0,0,0,1|2,0,0]=4 5340 B9R0.64 CC(C)(CO)SCC(O)=O Amb24659002 [0,1,0,0,0,1|0,0,0]=2 5341 B9R0.64 CC(C)(COP(O)Cl)CO Amb24748374 [0,1,0,0,0,1|2,0,0]=4 5342 B9R0.64 CC(Cl)(CCC(O)=O)N=O Amb24423829 [0,1,0,0,0,1|1,0,1]=4 5343 B9R0.64 CC(N)=NCC(C)(C)CO Amb25079820 [0,1,0,0,0,1|2,0,0]=4 5344 B9R0.64 CC(O)(CCC(O)=O)CO Amb25108439 [0,1,0,0,0,1|0,0,0]=2 5345 B9R0.64 CC(O)(CNC(N)=O)CO Amb24391888 [0,1,0,0,0,1|1,0,0]=3 5346 B9R0.64 CC(O)CNC(C)(C)CO Amb19005285 [0,1,0,0,0,1|1,0,1]=4 5347 B9R0.64 CC(O)CSC(C)(C)CO Amb24353289 [0,1,0,0,0,1|1,0,1]=4 5348 B9R0.64 CCC(C)(C)CCC(O)=O Amb18644164 [0,1,0,0,0,1|1,0,0]=3 5349 B9R0.64 CCC(C)(C)\C=C\C(O)=O Amb24576545 [0,1,0,0,0,1|1,0,1]=4 5350 B9R0.64 CCC(C)(O)C#CC(O)=O Amb24480767 [0,1,0,0,0,1|1,0,1]=4 5351 B9R0.64 CCC(C)(O)CCC(N)=O Amb25723101 [0,1,0,0,0,1|2,0,0]=4 5352 B9R0.64 CCC(C)(O)CCC(O)=O Amb25317242 [0,1,0,0,0,1|1,0,0]=3 5353 B9R0.64 CC[C@@](C)(O)CCC(O)=O Amb24461550 [0,1,0,0,0,1|1,0,0]=3 5354 B9R0.64 CC[Si](C)(C)CCC(O)=O Amb24482202 [0,1,0,0,0,1|1,1,0]=4 5355 B9R0.64 CS(=O)CCC(C)(C)CO Amb24538996 [0,1,0,0,0,1|2,0,0]=4 5356 B9R0.64 CS(=O)NCC(C)(C)CO Amb25177306 [0,1,0,0,0,1|2,0,0]=4 5357 B9R0.64 C[C@@H](O)CNC(C)(C)CO Amb25681918 [0,1,0,0,0,1|1,0,1]=4 5358 B9R0.64 C[C@H](O)CSC(C)(C)CO Amb24701117 [0,1,0,0,0,1|1,0,1]=4 5359 B9R0.64 C[Si](C)(CCl)CCC(O)=O Amb25337752 [0,1,0,0,0,1|1,1,0]=4 5360 B9R0.64 NC(=O)NCC(F)(F)CO Amb24739204 [0,1,0,0,0,1|2,0,0]=4 5361 B9R0.64 NCC(O)(O)CCC(O)=O Amb24401314 [0,1,0,0,0,1|2,0,0]=4 5362 B9R0.64 OC(=O)CCC(F)(F)CBr Amb25766479 [0,1,0,0,0,1|2,0,0]=4 5363 B9R0.64 OCP(O)(=O)CCC(O)=O Amb24482433 [0,1,0,0,0,1|2,0,0]=4 5364 B9R0.6 C=CCC(N)C(O)C(O)=O Amb25147612 [0,2,0,0,0,0|2,0,0]=4 5365 B9R0.6 C=CC[C@@H](O)[C@H](N)C(O)=O Amb24459826 [0,2,0,0,0,0|2,0,0]=4 5366 B9R0.6 CC(=O)C(O)C(O)CCO Amb24458926 [0,2,0,0,0,0|2,0,0]=4 5367 B9R0.6 CC(=O)[C@@H](O)[C@H](O)CCO Amb24409676 [0,2,0,0,0,0|2,0,0]=4 5368 B9R0.6 CC(C(C)=O)N(C)CCO Amb24475705 [0,2,0,0,0,0|2,0,0]=4 5369 B9R0.6 CC(C(C)CC=C)C(O)=O Amb18643938 [0,2,0,0,0,0|1,0,0]=3 5370 B9R0.6 CC(C(C)CC=O)C(O)=O Amb18644133 [0,2,0,0,0,0|0,0,1]=3 5371 B9R0.6 CC(C(C)CCO)C(C)=C Amb25055319 [0,2,0,0,0,0|2,0,0]=4 5372 B9R0.6 CC(C(C)CNC)C(O)=O Amb25379230 [0,2,0,0,0,0|1,0,0]=3 5373 B9R0.6 CC(C(C)COC)C(C)=O Amb24701910 [0,2,0,0,0,0|1,0,0]=3 5374 B9R0.6 CC(C(C)COC)C(N)=O Amb25682872 [0,2,0,0,0,0|1,0,0]=3 5375 B9R0.6 CC(C(C)NC=O)C(O)=O Amb24543868 [0,2,0,0,0,0|0,0,2]=4 5376 B9R0.6 CC(C(C)NOC)C(O)=O Amb24465798 [0,2,0,0,0,0|1,0,0]=3 5377 B9R0.6 CC(C(N)CCC)C(O)=O Amb24763852 [0,2,0,0,0,0|2,0,0]=4 5378 B9R0.6 CC(C(O)=O)N(C)CC#C Amb18993822 [0,2,0,0,0,0|2,0,0]=4 5379 B9R0.6 CC(C(O)=O)N(C)CC#N Amb18983872 [0,2,0,0,0,0|2,0,0]=4 5380 B9R0.6 CC(C(O)=O)N(C)CC=C Amb18313114 [0,2,0,0,0,0|2,0,0]=4 5381 B9R0.6 CC(C(O)=O)N(C)CCN Amb19028451 [0,2,0,0,0,0|2,0,0]=4 5382 B9R0.6 CC(C(O)CCC)C(O)=O Amb18310700 [0,2,0,0,0,0|2,0,0]=4 5383 B9R0.6 CC(C=C=C)C(N)C(O)=O Amb25785751 [0,2,0,0,0,0|1,0,1]=4 5384 B9R0.6 CC(CC=C)C(=O)C(O)=O Amb25063844 [0,2,0,0,0,0|1,0,1]=4 5385 B9R0.6 CC(CCC)C(Br)C(N)=O Amb24451592 [0,2,0,0,0,0|2,0,0]=4 5386 B9R0.6 CC(CCC)C(Cl)C(N)=O Amb18800738 [0,2,0,0,0,0|2,0,0]=4 5387 B9R0.6 CC(CCC)C(F)C(C)=O Amb25146866 [0,2,0,0,0,0|2,0,0]=4 5388 B9R0.6 CC(CCC)C(N)C(O)=O Amb20622789 [0,2,0,0,0,0|1,0,0]=3 5389 B9R0.6 CC(CCC)C(S)C(O)=O Amb24438702 [0,2,0,0,0,0|1,0,0]=3 5390 B9R0.6 CC(CCCl)C(N)C(O)=O Amb25803640 [0,2,0,0,0,0|1,0,0]=3 5391 B9R0.6 CC(CCN)C(N)C(O)=O Amb25309114 [0,2,0,0,0,0|1,0,0]=3 5392 B9R0.6 CC(CCO)C(N)C(O)=O Amb25054791 [0,2,0,0,0,0|0,0,0]=2 5393 B9R0.6 CC(CCO)C(O)C(C)=C Amb24704631 [0,2,0,0,0,0|2,0,0]=4 5394 B9R0.6 CC(CCO)C(O)C(O)=O Amb24392760 [0,2,0,0,0,0|0,0,0]=2 5395 B9R0.6 CC(CCO)N(C)C(N)=O Amb25268566 [0,2,0,0,0,0|2,0,0]=4 5396 B9R0.6 CC(CCO)[C@H](N)C(O)=O Amb24744497 [0,2,0,0,0,0|0,0,0]=2 5397 B9R0.6 CC(COC)C(N)C(N)=O Amb24468545 [0,2,0,0,0,0|1,0,0]=3 5398 B9R0.6 CC(COC)C(N)C(O)=O Amb24116980 [0,2,0,0,0,0|0,0,0]=2 5399 B9R0.6 CC(COC)[C@H](N)C(O)=O Amb25729786 [0,2,0,0,0,0|0,0,0]=2 5400 B9R0.6 CC(CSC)[C@@H](N)C(O)=O Amb24482316 [0,2,0,0,0,0|0,1,0]=3 5401 B9R0.6 CC(N=[N+]=[N-])C(N)C(O)=O Amb24477179 [0,2,0,0,0,0|2,0,0]=4 5402 B9R0.6 CC(NCC)C(O)C(O)=O Amb25679409 [0,2,0,0,0,0|1,0,0]=3 5403 B9R0.6 CC(OCC)C(Br)C(O)=O Amb24416715 [0,2,0,0,0,0|1,0,0]=3 5404 B9R0.6 CC(OCC)[C@H](S)C(O)=O Amb25053429 [0,2,0,0,0,0|1,0,0]=3 5405 B9R0.6 CC(OCO)C(N)C(O)=O Amb24567906 [0,2,0,0,0,0|0,0,0]=2 5406 B9R0.6 CC([C@H](N)CCC)C(O)=O Amb25238448 [0,2,0,0,0,0|2,0,0]=4 5407 B9R0.6 CC(\C=C\C)C(Br)C(O)=O Amb25703798 [0,2,0,0,0,0|1,0,1]=4 5408 B9R0.6 CC(\C=C\C)C(F)C(O)=O Amb24595961 [0,2,0,0,0,0|1,0,1]=4 5409 B9R0.6 CC(\C=C\C)C(O)C(O)=O Amb18644120 [0,2,0,0,0,0|1,0,1]=4 5410 B9R0.6 CCCC(Br)C(O)C(O)=O Amb25229083 [0,2,0,0,0,0|2,0,0]=4 5411 B9R0.6 CCCC(C(C(=O)O)N)F Amb10839857 [0,2,0,0,0,0|2,0,0]=4 5412 B9R0.6 CCCC(C)C(=O)C(O)=O Amb24747027 [0,2,0,0,0,0|1,0,1]=4 5413 B9R0.6 CCCC(C)C(C)C(C)=O Amb24396748 [0,2,0,0,0,0|2,0,0]=4 5414 B9R0.6 CCCC(C)C(C)C(N)=O Amb25361926 [0,2,0,0,0,0|2,0,0]=4 5415 B9R0.6 CCCC(N)C(O)C(O)=O Amb20242874 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.6 CCCC(O)C(Br)C(O)=O Amb24633342 [0,2,0,0,0,0|2,0,0]=4 5417 B9R0.6 CCCC(O)C(N)C(O)=O Amb18124815 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.6 CCCC(O)[C@@H](N)C(O)=O Amb25268432 [0,2,0,0,0,0|2,0,0]=4 5419 B9R0.6 CCCC(S)[C@H](N)C(O)=O Amb24359854 [0,2,0,0,0,0|2,0,0]=4 5420 B9R0.6 CCCN(C)[C@@H](C)C(O)=O Amb25834811 [0,2,0,0,0,0|2,0,0]=4 5421 B9R0.6 CCC[C@@H](N)[C@@H](O)C(O)=O Amb22747816 [0,2,0,0,0,0|2,0,0]=4 5422 B9R0.6 CCC[C@@H](N)[C@H](O)C(O)=O Amb22747809 [0,2,0,0,0,0|2,0,0]=4 5423 B9R0.6 CCC[C@@H](O)[C@@H](N)C(O)=O Amb25367288 [0,2,0,0,0,0|2,0,0]=4 5424 B9R0.6 CCC[C@@H](O)[C@H](N)C(O)=O Amb24715802 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.6 CCC[C@@H](O)[C@H](O)C(O)=O Amb24480722 [0,2,0,0,0,0|2,0,0]=4 5426 B9R0.6 CCC[C@H](N)[C@H](O)C(O)=O Amb25084552 [0,2,0,0,0,0|2,0,0]=4 5427 B9R0.6 CCC[C@H](O)[C@@H](Br)C(O)=O Amb25309541 [0,2,0,0,0,0|2,0,0]=4 5428 B9R0.6 CCC[C@H](O)[C@H](Br)C(O)=O Amb24727027 [0,2,0,0,0,0|2,0,0]=4 5429 B9R0.6 CCC[C@H](O)[C@H](N)C(O)=O Amb25113866 [0,2,0,0,0,0|2,0,0]=4 5430 B9R0.6 CN(C(C(=O)Cl)C)CCO Amb17142906 [0,2,0,0,0,0|2,0,0]=4 5431 B9R0.6 CN(C(C(=O)N)C)CCO Amb17142867 [0,2,0,0,0,0|2,0,0]=4 5432 B9R0.6 CN(CCO)C(=O)C(O)=O Amb18970475 [0,2,0,0,0,0|1,0,1]=4 5433 B9R0.6 COCC(=C)C(O)C(O)=O Amb24607009 [0,2,0,0,0,0|0,0,2]=4 5434 B9R0.6 COCC(C)N(C)C(=O)Cl Amb25358263 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.6 COCC(O)C(N)C(O)=O Amb25147551 [0,2,0,0,0,0|1,0,0]=3 5436 B9R0.6 CSCC(O)C(N)C(O)=O Amb18646340 [0,2,0,0,0,0|1,1,0]=4 5437 B9R0.6 C[C@@H](CCC)[C@H](O)C(O)=O Amb25368297 [0,2,0,0,0,0|1,0,0]=3 5438 B9R0.6 C[C@@H](CCF)[C@H](N)C(O)=O Amb25147533 [0,2,0,0,0,0|1,0,0]=3 5439 B9R0.6 C[C@@H](CCO)[C@@H](O)C(C)=C Amb25346351 [0,2,0,0,0,0|2,0,0]=4 5440 B9R0.6 C[C@@H](CCO)[C@H](N)C(O)=O Amb25709206 [0,2,0,0,0,0|0,0,0]=2 5441 B9R0.6 C[C@@H](OCC)[C@@H](N)C(O)=O Amb22747686 [0,2,0,0,0,0|1,0,0]=3 5442 B9R0.6 C[C@@H]([C@@H](C(=O)O)N)OCC Amb10807408 [0,2,0,0,0,0|1,0,0]=3 5443 B9R0.6 C[C@@H]([C@@H](O)CCC)C(O)=O Amb24445556 [0,2,0,0,0,0|2,0,0]=4 5444 B9R0.6 C[C@@H]([C@H](O)CCC)C(O)=O Amb24529277 [0,2,0,0,0,0|2,0,0]=4 5445 B9R0.6 C[C@@H](\C=C\C)[C@@H](O)C(O)=O Amb24480683 [0,2,0,0,0,0|1,0,1]=4 5446 B9R0.6 C[C@@H](\C=C\C)[C@H](Br)C(O)=O Amb25309543 [0,2,0,0,0,0|1,0,1]=4 5447 B9R0.6 C[C@H](C(O)CCC)C(O)=O Amb25096562 [0,2,0,0,0,0|2,0,0]=4 5448 B9R0.6 C[C@H](CC=C)[C@H](N)C(O)=O Amb25347201 [0,2,0,0,0,0|1,0,0]=3 5449 B9R0.6 C[C@H](CCC)[C@H](N)C(O)=O Amb25062732 [0,2,0,0,0,0|1,0,0]=3 5450 B9R0.6 C[C@H](CCC)[C@H](O)C(O)=O Amb25786123 [0,2,0,0,0,0|1,0,0]=3 5451 B9R0.6 C[C@H](CCF)[C@H](N)C(O)=O Amb25132099 [0,2,0,0,0,0|1,0,0]=3 5452 B9R0.6 C[C@H](CCO)[C@H](N)C(O)=O Amb25111969 [0,2,0,0,0,0|0,0,0]=2 5453 B9R0.6 C[C@H](CCO)[C@H](O)C(O)=O Amb25122108 [0,2,0,0,0,0|0,0,0]=2 5454 B9R0.6 C[C@H](CSC)[C@@H](N)C(O)=O Amb24642749 [0,2,0,0,0,0|0,1,0]=3 5455 B9R0.6 C[C@H](CSC)[C@H](N)C(O)=O Amb25851133 [0,2,0,0,0,0|0,1,0]=3 5456 B9R0.6 C[C@H]([C@@H](O)CCC)C(O)=O Amb25789993 [0,2,0,0,0,0|2,0,0]=4 5457 B9R0.6 C[C@H]([C@H](C)NOC)C(O)=O Amb24451571 [0,2,0,0,0,0|1,0,0]=3 5458 B9R0.6 C[C@H]([C@H](C)OC=O)C(O)=O Amb24479221 [0,2,0,0,0,0|0,0,2]=4 5459 B9R0.6 C[C@H](\C=C\C)[C@H](F)C(O)=O Amb25727302 [0,2,0,0,0,0|1,0,1]=4 5460 B9R0.6 C\C(=C\CC)\C(O)C(O)=O Amb24568401 [0,2,0,0,0,0|1,0,1]=4 5461 B9R0.6 NC(C(S)CCO)C(O)=O Amb24724703 [0,2,0,0,0,0|1,0,0]=3 5462 B9R0.6 N[C@@H](C(S)CCO)C(O)=O Amb25320812 [0,2,0,0,0,0|1,0,0]=3 5463 B9R0.6 OCCC(O)C(O)C(O)=O Amb24482452 [0,2,0,0,0,0|1,0,0]=3 5464 B9R0.25 CC(C(C)CO)C(C)(C)O Amb25079587 [0,2,0,0,0,0|1,0,1]=4 5465 B9R0.25 CC(CC)[C@H](N)P(O)(O)=O Amb24742149 [0,2,0,0,0,0|2,0,0]=4 5466 B9R0.25 C[C@@H](CC)[C@H](N)P(O)(O)=O Amb25853637 [0,2,0,0,0,0|2,0,0]=4 5467 B9R0.25 C[C@H]([C@H](C)CO)C(C)(C)O Amb25346164 [0,2,0,0,0,0|1,0,1]=4 5468 B9R0.25 OC[C@@H](O)[C@@H](O)P(O)(O)=O Amb25806053 [0,2,0,0,0,0|2,0,0]=4 5469 B9R0.25 OC[C@@H](O)[C@H](O)P(O)(O)=O Amb25044300 [0,2,0,0,0,0|2,0,0]=4 5470 B9R0.27 CC(C(C)C=C)C(=O)OC Amb24607215 [0,2,0,0,0,0|1,0,1]=4 5471 B9R0.27 CC(C(C)C=O)C(=O)OC Amb25828591 [0,2,0,0,0,0|0,0,2]=4 5472 B9R0.27 CC(C(C)CO)C(C)C=O Amb24403799 [0,2,0,0,0,0|1,0,1]=4 5473 B9R0.27 CC(C(O)CC)C(=O)OC Amb24731247 [0,2,0,0,0,0|2,0,0]=4 5474 B9R0.27 CC(C=C)C(N)C(=O)OC Amb18644005 [0,2,0,0,0,0|1,0,1]=4 5475 B9R0.27 CC(C=C)C(N)C(=O)OC Amb24271135 [0,2,0,0,0,0|1,0,1]=4 5476 B9R0.27 CC(C=C)C(O)C(=O)OC Amb25125510 [0,2,0,0,0,0|1,0,1]=4 5477 B9R0.27 CC(C=C)[C@@H](O)C(=O)OC Amb24422774 [0,2,0,0,0,0|1,0,1]=4 5478 B9R0.27 CC(C=C)[C@H](O)C(=O)OC Amb25107561 [0,2,0,0,0,0|1,0,1]=4 5479 B9R0.27 CC(C=O)C(Br)C(=O)OC Amb24640254 [0,2,0,0,0,0|0,0,2]=4 5480 B9R0.27 CC(CC)C(Br)C(=O)CC Amb25254147 [0,2,0,0,0,0|2,0,0]=4 5481 B9R0.27 CC(CC)C(Cl)C(=O)NC Amb18800740 [0,2,0,0,0,0|2,0,0]=4 5482 B9R0.27 CC(CC)C(Cl)C(=O)OC Amb18800857 [0,2,0,0,0,0|1,0,0]=3 5483 B9R0.27 CC(CC)C(N)C(=O)CBr Amb24740869 [0,2,0,0,0,0|2,0,0]=4 5484 B9R0.27 CC(CC)C(N)C(=O)CCl Amb25779268 [0,2,0,0,0,0|2,0,0]=4 5485 B9R0.27 CC(CC)C(N)C(=O)NN Amb25146438 [0,2,0,0,0,0|2,0,0]=4 5486 B9R0.27 CC(CC)C(N)C(=O)NO Amb24572995 [0,2,0,0,0,0|1,0,0]=3 5487 B9R0.27 CC(CC)C(O)C(=O)CC Amb25718578 [0,2,0,0,0,0|2,0,0]=4 5488 B9R0.27 CC(CC)C(O)C(=O)NC Amb25209606 [0,2,0,0,0,0|2,0,0]=4 5489 B9R0.27 CC(CC)C(O)C(=O)OC Amb23596600 [0,2,0,0,0,0|1,0,0]=3 5490 B9R0.27 CC(CC)[C@@H](N)C(=O)NO Amb22800472 [0,2,0,0,0,0|1,0,0]=3 5491 B9R0.27 CC(CC)[C@@H](N)C(=O)OC Amb25111579 [0,2,0,0,0,0|1,0,0]=3 5492 B9R0.27 CC(CC)[C@H](N)C(=O)NN Amb25279310 [0,2,0,0,0,0|2,0,0]=4 5493 B9R0.27 CC(CC)[C@H](O)C(=O)OC Amb25136173 [0,2,0,0,0,0|1,0,0]=3 5494 B9R0.27 CC(CO)C(O)C(C)CO Amb25106056 [0,2,0,0,0,0|1,0,1]=4 5495 B9R0.27 CC(CO)N(C)C(=O)C#C Amb25351031 [0,2,0,0,0,0|2,0,0]=4 5496 B9R0.27 CC(CO)N(C)C(=O)NN Amb25722591 [0,2,0,0,0,0|2,0,0]=4 5497 B9R0.27 CC(NC)C(Cl)C(=O)OC Amb25139466 [0,2,0,0,0,0|2,0,0]=4 5498 B9R0.27 CC(OC)C(Cl)C(=O)OC Amb24373136 [0,2,0,0,0,0|2,0,0]=4 5499 B9R0.27 CC(OC)C(N)C(=O)OC Amb25111509 [0,2,0,0,0,0|2,0,0]=4 5500 B9R0.27 CC(OC)C(O)C(=O)OC Amb25234709 [0,2,0,0,0,0|2,0,0]=4 5501 B9R0.27 CC(ON)C(N)C(=O)OC Amb25075953 [0,2,0,0,0,0|2,0,0]=4 5502 B9R0.27 CC([C@@H](O)CC)C(=O)OC Amb25740781 [0,2,0,0,0,0|2,0,0]=4 5503 B9R0.27 CCC(=O)N(C)[C@H](C)CO Amb24646124 [0,2,0,0,0,0|2,0,0]=4 5504 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO Amb24647600 [0,2,0,0,0,0|2,0,0]=4 5505 B9R0.27 CCC(C(C(=O)OC)N)C Amb1154182 [0,2,0,0,0,0|1,0,0]=3 5506 B9R0.27 CCC(C)C(=O)C(=O)OC Amb25145521 [0,2,0,0,0,0|1,0,1]=4 5507 B9R0.27 CCC(C)C(C)C(=O)NC Amb25058995 [0,2,0,0,0,0|2,0,0]=4 5508 B9R0.27 CCC(C)C(C)C(=O)NO Amb25761241 [0,2,0,0,0,0|1,0,0]=3 5509 B9R0.27 CCC(C)C(C)C(O)C=O Amb25101847 [0,2,0,0,0,0|1,0,1]=4 5510 B9R0.27 CCC(C)N(C)C(=O)CO Amb25788008 [0,2,0,0,0,0|2,0,0]=4 5511 B9R0.27 CCC(C)N(C)C(=O)OC Amb25143649 [0,2,0,0,0,0|2,0,0]=4 5512 B9R0.27 CCC(Cl)C(Cl)C(=O)OC Amb24675863 [0,2,0,0,0,0|2,0,0]=4 5513 B9R0.27 CCC(N)C(O)C(=O)OC Amb24459819 [0,2,0,0,0,0|2,0,0]=4 5514 B9R0.27 CCC(O)C(Cl)C(=O)OC Amb24400655 [0,2,0,0,0,0|2,0,0]=4 5515 B9R0.27 CCC(O)C(N)C(=O)OC Amb18644322 [0,2,0,0,0,0|2,0,0]=4 5516 B9R0.27 CCC(O)C(O)C(=O)CO Amb25146801 [0,2,0,0,0,0|2,0,0]=4 5517 B9R0.27 CCC(O)C(O)C(=O)OC Amb24457791 [0,2,0,0,0,0|2,0,0]=4 5518 B9R0.27 CCC([C@@H](C(=O)NC)N)C Amb17231991 [0,2,0,0,0,0|2,0,0]=4 5519 B9R0.27 CCC([C@@H](C(=O)OC)N)C Amb10807496 [0,2,0,0,0,0|1,0,0]=3 5520 B9R0.27 CCN(C)C(C)C(=O)OC Amb24505224 [0,2,0,0,0,0|2,0,0]=4 5521 B9R0.27 CC[C@@H](O)[C@@H](O)C(=O)CO Amb25663072 [0,2,0,0,0,0|2,0,0]=4 5522 B9R0.27 CC[C@H](C)C(=O)C(=O)OC Amb24570432 [0,2,0,0,0,0|1,0,1]=4 5523 B9R0.27 CC[C@H](O)[C@@H](O)C(=O)CO Amb25370711 [0,2,0,0,0,0|2,0,0]=4 5524 B9R0.27 CC[C@H](O)[C@H](O)C(=O)CO Amb24478272 [0,2,0,0,0,0|2,0,0]=4 5525 B9R0.27 CC[C@H]([C@@H](C(=O)OC)N)C Amb10844606 [0,2,0,0,0,0|1,0,0]=3 5526 B9R0.27 CNC(=O)N(C)[C@H](C)CO Amb25065889 [0,2,0,0,0,0|2,0,0]=4 5527 B9R0.27 COC(=O)C(=C)C(C)CO Amb25335437 [0,2,0,0,0,0|0,0,1]=3 5528 B9R0.27 COC(=O)C(Br)C(Br)CBr Amb20241612 [0,2,0,0,0,0|2,0,0]=4 5529 B9R0.27 COC(=O)C(Br)C(O)CBr Amb25293763 [0,2,0,0,0,0|2,0,0]=4 5530 B9R0.27 COC(=O)C(C)C(C)SC Amb25851772 [0,2,0,0,0,0|2,0,0]=4 5531 B9R0.27 COC(=O)C(F)C(O)CO Amb25120052 [0,2,0,0,0,0|1,0,0]=3 5532 B9R0.27 COC(=O)C(O)C(F)CBr Amb24477361 [0,2,0,0,0,0|2,0,0]=4 5533 B9R0.27 COC(=O)C(O)C(F)CO Amb25097732 [0,2,0,0,0,0|1,0,0]=3 5534 B9R0.27 COC(=O)C(O)C(N)CO Amb25288549 [0,2,0,0,0,0|1,0,0]=3 5535 B9R0.27 COC(=O)N(C)C(C)CN Amb18908397 [0,2,0,0,0,0|2,0,0]=4 5536 B9R0.27 COC(=O)N(C)[C@@H](C)CO Amb24482597 [0,2,0,0,0,0|1,0,0]=3 5537 B9R0.27 COC(=O)N(C)[C@H](C)CO Amb24573876 [0,2,0,0,0,0|1,0,0]=3 5538 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CO Amb25288997 [0,2,0,0,0,0|1,0,0]=3 5539 B9R0.27 COC(=O)[C@@H](F)[C@@H](O)CO Amb24353362 [0,2,0,0,0,0|1,0,0]=3 5540 B9R0.27 COC(=O)[C@@H](O)[C@@H](F)CBr Amb24477336 [0,2,0,0,0,0|2,0,0]=4 5541 B9R0.27 COC(=O)[C@@H](O)[C@@H](F)CO Amb24524431 [0,2,0,0,0,0|1,0,0]=3 5542 B9R0.27 COC(=O)[C@@H](O)[C@H](F)CO Amb25712976 [0,2,0,0,0,0|1,0,0]=3 5543 B9R0.27 COC(=O)[C@@H](O)[C@H](N)CO Amb25265465 [0,2,0,0,0,0|1,0,0]=3 5544 B9R0.27 COC(=O)[C@H](O)[C@@H](O)CCl Amb24480650 [0,2,0,0,0,0|2,0,0]=4 5545 B9R0.27 COC(=O)[C@H](O)[C@H](O)CBr Amb25311327 [0,2,0,0,0,0|2,0,0]=4 5546 B9R0.27 C[C@@H](CC)C(O)C(=O)OC Amb25077852 [0,2,0,0,0,0|1,0,0]=3 5547 B9R0.27 C[C@@H](CC)[C@@H](N)C(=O)OC Amb22747221 [0,2,0,0,0,0|1,0,0]=3 5548 B9R0.27 C[C@@H](CC)[C@@H](O)C(=O)OC Amb25320601 [0,2,0,0,0,0|1,0,0]=3 5549 B9R0.27 C[C@@H](CC)[C@H](N)C(=O)CC Amb25790371 [0,2,0,0,0,0|2,0,0]=4 5550 B9R0.27 C[C@@H](CC)[C@H](N)C(=O)NC Amb24478007 [0,2,0,0,0,0|2,0,0]=4 5551 B9R0.27 C[C@@H](CC)[C@H](N)C(=O)NN Amb25146437 [0,2,0,0,0,0|2,0,0]=4 5552 B9R0.27 C[C@@H](CC)[C@H](N)C(=O)NO Amb25146430 [0,2,0,0,0,0|1,0,0]=3 5553 B9R0.27 C[C@@H](CO)N(C)C(=O)C#C Amb24448681 [0,2,0,0,0,0|2,0,0]=4 5554 B9R0.27 C[C@@H](CO)[C@@H](O)[C@H](O)C=C Amb25829338 [0,2,0,0,0,0|1,0,1]=4 5555 B9R0.27 C[C@@H](CO)[C@@H](O)[C@H](O)CO Amb25831887 [0,2,0,0,0,0|0,0,2]=4 5556 B9R0.27 C[C@@H](CO)[C@@H](O)\C(\C)=C/C Amb24412132 [0,2,0,0,0,0|2,0,0]=4 5557 B9R0.27 C[C@@H](CO)[C@H](O)[C@H](O)CO Amb25050906 [0,2,0,0,0,0|0,0,2]=4 5558 B9R0.27 C[C@@H](CO)[C@H](O)\C(\C)=C/C Amb25333419 [0,2,0,0,0,0|2,0,0]=4 5559 B9R0.27 C[C@@H](NC)[C@H](Cl)C(=O)OC Amb24482166 [0,2,0,0,0,0|2,0,0]=4 5560 B9R0.27 C[C@@H](ON)[C@H](N)C(=O)OC Amb25378740 [0,2,0,0,0,0|2,0,0]=4 5561 B9R0.27 C[C@@H](SC)[C@H](Cl)C(=O)OC Amb24470163 [0,2,0,0,0,0|2,0,0]=4 5562 B9R0.27 C[C@@H]([C@@H](C)C=O)C(=O)OC Amb25142663 [0,2,0,0,0,0|0,0,2]=4 5563 B9R0.27 C[C@@H]([C@@H](C)CO)C(=O)OC Amb25279746 [0,2,0,0,0,0|0,0,0]=2 5564 B9R0.27 C[C@@H]([C@@H](O)CC)C(=O)NO Amb25058433 [0,2,0,0,0,0|2,0,0]=4 5565 B9R0.27 C[C@@H]([C@@H](O)CC)C(=O)OC Amb25769352 [0,2,0,0,0,0|2,0,0]=4 5566 B9R0.27 C[C@@H]([C@H](C)C=C)C(=O)OC Amb25780851 [0,2,0,0,0,0|1,0,1]=4 5567 B9R0.27 C[C@@H]([C@H](O)CC)C(=O)OC Amb24556034 [0,2,0,0,0,0|2,0,0]=4 5568 B9R0.27 C[C@H](C=C)[C@@H](O)C(=O)OC Amb25097689 [0,2,0,0,0,0|1,0,1]=4 5569 B9R0.27 C[C@H](CO)N(C)C(=O)C#C Amb25052750 [0,2,0,0,0,0|2,0,0]=4 5570 B9R0.27 C[C@H](CO)N(C)C(=O)CO Amb24749523 [0,2,0,0,0,0|1,0,0]=3 5571 B9R0.27 C[C@H](CO)[C@@H](O)[C@H](O)C=C Amb24608069 [0,2,0,0,0,0|1,0,1]=4 5572 B9R0.27 C[C@H](CO)[C@@H](O)[C@H](O)CO Amb24430969 [0,2,0,0,0,0|0,0,2]=4 5573 B9R0.27 C[C@H](CO)[C@H](O)C(=C)CC Amb25221951 [0,2,0,0,0,0|2,0,0]=4 5574 B9R0.27 C[C@H](NC)[C@H](Cl)C(=O)OC Amb24482167 [0,2,0,0,0,0|2,0,0]=4 5575 B9R0.27 C[C@H](OC)[C@H](Br)C(=O)OC Amb24502160 [0,2,0,0,0,0|2,0,0]=4 5576 B9R0.27 C[C@H](SC)[C@H](Cl)C(=O)OC Amb25684816 [0,2,0,0,0,0|2,0,0]=4 5577 B9R0.27 C[C@H]([C@@H](C)CO)[C@H](C)C=O Amb24504989 [0,2,0,0,0,0|1,0,1]=4 5578 B9R0.27 C[C@H]([C@H](O)CC)C(=O)OC Amb25045706 [0,2,0,0,0,0|2,0,0]=4 5579 B9R0.27 NCC(=O)C(O)C(O)CO Amb25095234 [0,2,0,0,0,0|2,0,0]=4 5580 B9R0.27 NNC(=O)C(O)C(O)CO Amb25739705 [0,2,0,0,0,0|2,0,0]=4 5581 B9R0.27 NNC(=O)[C@H](O)[C@H](O)CO Amb25332394 [0,2,0,0,0,0|2,0,0]=4 5582 B9R0.27 N[C@@H](CO)[C@@H](O)[C@H](O)C=O Amb24546992 [0,2,0,0,0,0|1,0,1]=4 5583 B9R0.27 N[C@@H](CO)[C@H](O)[C@H](O)C=O Amb25147294 [0,2,0,0,0,0|1,0,1]=4 5584 B9R0.27 OC(CO)C(O)C(=O)CO Amb25099014 [0,2,0,0,0,0|1,0,0]=3 5585 B9R0.27 OC(CO)[C@H](O)C(=O)CO Amb25146835 [0,2,0,0,0,0|1,0,0]=3 5586 B9R0.27 OCC(=O)C(O)C(O)CF Amb25830531 [0,2,0,0,0,0|2,0,0]=4 5587 B9R0.27 OCC(=O)[C@@H](O)C(O)CF Amb25146806 [0,2,0,0,0,0|2,0,0]=4 5588 B9R0.27 OCC(=O)[C@@H](O)[C@H](O)CBr Amb24477214 [0,2,0,0,0,0|2,0,0]=4 5589 B9R0.27 OCC(=O)[C@@H](O)[C@H](O)CCl Amb24562237 [0,2,0,0,0,0|2,0,0]=4 5590 B9R0.27 OCC(=O)[C@@H](O)[C@H](O)CS Amb25839360 [0,2,0,0,0,0|1,1,0]=4 5591 B9R0.27 OCC(Cl)C(O)C(O)C=O Amb24476993 [0,2,0,0,0,0|1,0,1]=4 5592 B9R0.27 OCC(O)C(O)C(=O)C=O Amb25370795 [0,2,0,0,0,0|1,0,1]=4 5593 B9R0.27 OCC(O)C(O)C(=O)NO Amb25676772 [0,2,0,0,0,0|1,0,0]=3 5594 B9R0.27 OCC(O)[C@@H](O)[C@@H](O)C=O Amb25205443 [0,2,0,0,0,0|1,0,1]=4 5595 B9R0.27 OCC(O)[C@H](O)[C@@H](O)C=O Amb25797947 [0,2,0,0,0,0|1,0,1]=4 5596 B9R0.27 OC[C@@H](O)C(O)[C@@H](O)C=O Amb24413837 [0,2,0,0,0,0|1,0,1]=4 5597 B9R0.27 OC[C@@H](O)[C@@H](F)[C@H](O)C=O Amb25129381 [0,2,0,0,0,0|1,0,1]=4 5598 B9R0.27 OC[C@@H](O)[C@H](O)C(=O)NO Amb25057744 [0,2,0,0,0,0|1,0,0]=3 5599 B9R0.27 OC[C@H](Cl)[C@@H](O)[C@H](O)C=O Amb24634295 [0,2,0,0,0,0|1,0,1]=4 5600 B9R0.27 OC[C@H](O)[C@@H](O)[C@@H](O)C=O Amb25146279 [0,2,0,0,0,0|1,0,1]=4 5601 B9R0.27 OC[C@H](O)\C(\O)=C(/O)\C=O Amb25269544 [0,2,0,0,0,0|1,0,1]=4 5602 B9R0.27 OC[C@H]([C@@H]([C@@H](C=O)O)O)O Amb10807416 [0,2,0,0,0,0|1,0,1]=4 5603 B9R0.27 OC[C@H]([C@@H]([C@H](C=O)O)O)O Amb10843531 [0,2,0,0,0,0|1,0,1]=4 5604 B9R0.27 O[C@@H](C=O)[C@@H](Cl)[C@@H](Cl)CO Amb25363375 [0,2,0,0,0,0|1,0,1]=4 5605 B9R0.27 O[C@@H](CO)[C@@H](O)C(=O)CO Amb22800928 [0,2,0,0,0,0|1,0,0]=3 5606 B9R0.27 O[C@@H](CO)[C@H](O)C(=O)CO Amb22352819 [0,2,0,0,0,0|1,0,0]=3 5607 B9R0.27 O[C@H](CO)[C@@H](O)C(=O)CO Amb22230606 [0,2,0,0,0,0|1,0,0]=3 5608 B9R0.28 CC(=O)C(O)(O)C(O)CO Amb24722053 [0,2,0,0,0,0|2,0,0]=4 5609 B9R0.28 CC(C#C)C(C)(N)C(O)=O Amb25061187 [0,2,0,0,0,0|1,0,1]=4 5610 B9R0.28 CC(C)([C@H](N)CO)C(O)=O Amb25245841 [0,2,0,0,0,0|1,0,0]=3 5611 B9R0.28 CC(C=C)C(C)(C)C(O)=O Amb25073155 [0,2,0,0,0,0|1,0,1]=4 5612 B9R0.28 CC(C=C)C(C)(F)C(O)=O Amb24617972 [0,2,0,0,0,0|1,0,1]=4 5613 B9R0.28 CC(C=C)C(C)(N)C(O)=O Amb25147471 [0,2,0,0,0,0|1,0,1]=4 5614 B9R0.28 CC(C=C)C(C)(O)C(O)=O Amb18644094 [0,2,0,0,0,0|1,0,1]=4 5615 B9R0.28 CC(C=C)C(F)(Cl)C(O)=O Amb25124094 [0,2,0,0,0,0|1,0,1]=4 5616 B9R0.28 CC(C=C)C(F)(F)C(O)=O Amb25100968 [0,2,0,0,0,0|1,0,1]=4 5617 B9R0.28 CC(C=O)C(C)(C)C(O)=O Amb25063874 [0,2,0,0,0,0|0,0,2]=4 5618 B9R0.28 CC(CN)C(C)(O)C(O)=O Amb24700228 [0,2,0,0,0,0|1,0,0]=3 5619 B9R0.28 CC(CO)C(C)(C)C(C)=C Amb25788133 [0,2,0,0,0,0|2,0,0]=4 5620 B9R0.28 CC(O)([C@H](O)CO)C(O)=O Amb24524547 [0,2,0,0,0,0|1,0,0]=3 5621 B9R0.28 CCC(Br)C(C)(O)C(O)=O Amb24478191 [0,2,0,0,0,0|2,0,0]=4 5622 B9R0.28 CCC(C)C(C)(N)C(N)=O Amb18289874 [0,2,0,0,0,0|2,0,0]=4 5623 B9R0.28 CCC(C)C(N)(O)C(O)=O Amb25147278 [0,2,0,0,0,0|1,0,0]=3 5624 B9R0.28 CCC(O)C(C)(O)C(O)=O Amb18644353 [0,2,0,0,0,0|2,0,0]=4 5625 B9R0.28 CCC(O)C(F)(F)C(O)=O Amb18796752 [0,2,0,0,0,0|2,0,0]=4 5626 B9R0.28 CCN(C)C(C)(C)C(O)=O Amb18302285 [0,2,0,0,0,0|2,0,0]=4 5627 B9R0.28 CCN(C)C(C)(C)C(O)=O Amb22099527 [0,2,0,0,0,0|2,0,0]=4 5628 B9R0.28 CC[C@@H](C)C(N)(N)C(O)=O Amb25147542 [0,2,0,0,0,0|1,0,0]=3 5629 B9R0.28 CC[C@@H](O)[C@](C)(O)C(O)=O Amb25111955 [0,2,0,0,0,0|2,0,0]=4 5630 B9R0.28 CC[C@H](C)C(C)(C)C(N)=O Amb25261342 [0,2,0,0,0,0|2,0,0]=4 5631 B9R0.28 CC[C@H](C)C(C)(C)C(O)=O Amb24480772 [0,2,0,0,0,0|1,0,0]=3 5632 B9R0.28 CC[C@H](C)[C@](C)(N)C(O)=O Amb24538030 [0,2,0,0,0,0|1,0,0]=3 5633 B9R0.28 CC[C@H](O)[C@](C)(O)C(O)=O Amb24624659 [0,2,0,0,0,0|2,0,0]=4 5634 B9R0.28 COC(C)C(C)(C)C(O)=O Amb25211514 [0,2,0,0,0,0|2,0,0]=4 5635 B9R0.28 COC(C)C(C)(N)C(O)=O Amb25336838 [0,2,0,0,0,0|2,0,0]=4 5636 B9R0.28 C[C@@H](C#C)[C@](C)(O)C(O)=O Amb24480794 [0,2,0,0,0,0|1,0,1]=4 5637 B9R0.28 C[C@@H](C=C)[C@](C)(N)C(O)=O Amb24573053 [0,2,0,0,0,0|1,0,1]=4 5638 B9R0.28 C[C@@H](C=C)[C@](C)(O)C(O)=O Amb24683050 [0,2,0,0,0,0|1,0,1]=4 5639 B9R0.28 C[C@@H](CN)[C@](C)(O)C(O)=O Amb25366576 [0,2,0,0,0,0|1,0,0]=3 5640 B9R0.28 C[C@@](O)([C@H](O)CO)C(O)=O Amb24687216 [0,2,0,0,0,0|1,0,0]=3 5641 B9R0.28 C[C@H](C#C)[C@](C)(O)C(O)=O Amb24480793 [0,2,0,0,0,0|1,0,1]=4 5642 B9R0.28 C[C@H](C=C)[C@](C)(N)C(O)=O Amb25757514 [0,2,0,0,0,0|1,0,1]=4 5643 B9R0.28 C\C(=N/O)\C(C)(C)C(O)=O Amb24480723 [0,2,0,0,0,0|1,0,1]=4 5644 B9R0.28 N[C@@H](CO)C(F)(F)C(O)=O Amb24479410 [0,2,0,0,0,0|1,0,0]=3 5645 B9R0.28 OC(=O)C(F)(Cl)C(Cl)CCl Amb24477396 [0,2,0,0,0,0|2,0,0]=4 5646 B9R0.29 CC(C=C)C(CC)C(O)=O Amb18643888 [0,2,0,0,0,0|1,0,1]=4 5647 B9R0.29 CC(CC)C(C#N)C(N)=O Amb24590058 [0,2,0,0,0,0|2,0,0]=4 5648 B9R0.29 CC(CC)C(C=C)C(O)=O Amb25076396 [0,2,0,0,0,0|1,0,0]=3 5649 B9R0.29 CC(CC)C(CC)C(C)=O Amb25775510 [0,2,0,0,0,0|2,0,0]=4 5650 B9R0.29 CC(CC)C(NBr)C(O)=O Amb25125862 [0,2,0,0,0,0|1,0,0]=3 5651 B9R0.29 CC(CC)C(NC)C(N)=O Amb18304752 [0,2,0,0,0,0|2,0,0]=4 5652 B9R0.29 CC(CC)C(NCl)C(O)=O Amb25279236 [0,2,0,0,0,0|1,0,0]=3 5653 B9R0.29 CC(CC)C(NN)C(N)=O Amb24479121 [0,2,0,0,0,0|2,0,0]=4 5654 B9R0.29 CC(CC)C(NN)C(O)=O Amb24398974 [0,2,0,0,0,0|1,0,0]=3 5655 B9R0.29 CC(CC)C(NO)C(O)=O Amb25378713 [0,2,0,0,0,0|1,0,0]=3 5656 B9R0.29 CC(CC)C(OC)C(N)=O Amb25084689 [0,2,0,0,0,0|2,0,0]=4 5657 B9R0.29 CC(CC)C(OC)C(O)=O Amb24563898 [0,2,0,0,0,0|1,0,0]=3 5658 B9R0.29 CC(CC)C(SC)C(O)=O Amb25076827 [0,2,0,0,0,0|1,0,0]=3 5659 B9R0.29 CC(CO)C(NC)C(O)=O Amb18644323 [0,2,0,0,0,0|0,0,0]=2 5660 B9R0.29 CC(O)C(C#C)C(C)CO Amb25356172 [0,2,0,0,0,0|1,0,1]=4 5661 B9R0.29 CC(OC)C(CC)C(O)=O Amb24597787 [0,2,0,0,0,0|2,0,0]=4 5662 B9R0.29 CC(OC)C(NC)C(O)=O Amb24117895 [0,2,0,0,0,0|2,0,0]=4 5663 B9R0.29 CC(OC)C(NC)C(O)=O Amb24596308 [0,2,0,0,0,0|2,0,0]=4 5664 B9R0.29 CCC(C(CC)C)C(=O)N Amb17621194 [0,2,0,0,0,0|2,0,0]=4 5665 B9R0.29 CCC(O)C(C=C)C(O)=O Amb18644141 [0,2,0,0,0,0|2,0,0]=4 5666 B9R0.29 CCC(O)C(NC)C(O)=O Amb25046706 [0,2,0,0,0,0|2,0,0]=4 5667 B9R0.29 CCC(O)C(OC)C(O)=O Amb18644355 [0,2,0,0,0,0|2,0,0]=4 5668 B9R0.29 CCN(C)C(C=C)C(O)=O Amb24481160 [0,2,0,0,0,0|2,0,0]=4 5669 B9R0.29 CCN(C)C(CN)C(O)=O Amb24697507 [0,2,0,0,0,0|2,0,0]=4 5670 B9R0.29 CC[C@@H](O)[C@H](C=C)C(O)=O Amb24480681 [0,2,0,0,0,0|2,0,0]=4 5671 B9R0.29 CC[C@@H]([C@@H](C(=O)O)NC)C Amb16183967 [0,2,0,0,0,0|1,0,0]=3 5672 B9R0.29 CC[C@H](N)[C@H](CC)C(O)=O Amb24505157 [0,2,0,0,0,0|2,0,0]=4 5673 B9R0.29 CC[C@H](O)[C@H](NC)C(O)=O Amb24446992 [0,2,0,0,0,0|2,0,0]=4 5674 B9R0.29 CN(CC)[C@@H](CC)C(O)=O Amb25859429 [0,2,0,0,0,0|2,0,0]=4 5675 B9R0.29 CO[C@@H]([C@H](O)CO)C(N)=O Amb24427631 [0,2,0,0,0,0|2,0,0]=4 5676 B9R0.29 CO[C@H]([C@@H](O)CO)C(O)=O Amb25065328 [0,2,0,0,0,0|1,0,0]=3 5677 B9R0.29 CO[C@H]([C@H](O)CO)C(O)=O Amb25053877 [0,2,0,0,0,0|1,0,0]=3 5678 B9R0.29 C[C@@H](C#C)[C@@H](CC)C(O)=O Amb24716321 [0,2,0,0,0,0|1,0,1]=4 5679 B9R0.29 C[C@@H](C=C)[C@H](CC)C(O)=O Amb25064183 [0,2,0,0,0,0|1,0,1]=4 5680 B9R0.29 C[C@@H](C=C)[C@H](OC)C(O)=O Amb25824161 [0,2,0,0,0,0|1,0,1]=4 5681 B9R0.29 C[C@@H](CC)[C@@H](CC)C(O)=O Amb24713592 [0,2,0,0,0,0|1,0,0]=3 5682 B9R0.29 C[C@@H](CC)[C@@H](CN)C(O)=O Amb25147293 [0,2,0,0,0,0|1,0,0]=3 5683 B9R0.29 C[C@@H](CC)[C@@H](NC)C(O)=O Amb25132156 [0,2,0,0,0,0|1,0,0]=3 5684 B9R0.29 C[C@@H](CC)[C@H](CN)C(O)=O Amb25791124 [0,2,0,0,0,0|1,0,0]=3 5685 B9R0.29 C[C@@H](CC)[C@H](NBr)C(O)=O Amb24640231 [0,2,0,0,0,0|1,0,0]=3 5686 B9R0.29 C[C@@H](CC)[C@H](NC)C(O)=O Amb22747123 [0,2,0,0,0,0|1,0,0]=3 5687 B9R0.29 C[C@@H](CC)[C@H](NN)C(O)=O Amb25102747 [0,2,0,0,0,0|1,0,0]=3 5688 B9R0.29 C[C@@H](OC)[C@H](NC)C(O)=O Amb25340790 [0,2,0,0,0,0|2,0,0]=4 5689 B9R0.29 C[C@@H](OC)[C@H](OC)C(O)=O Amb25677780 [0,2,0,0,0,0|2,0,0]=4 5690 B9R0.29 C[C@H](C=C)[C@@H](CC)C(O)=O Amb25339204 [0,2,0,0,0,0|1,0,1]=4 5691 B9R0.29 C[C@H](CC)[C@H](C=C)C(O)=O Amb24561616 [0,2,0,0,0,0|1,0,0]=3 5692 B9R0.29 C[C@H](CC)[C@H](NC)C(O)=O Amb24544666 [0,2,0,0,0,0|1,0,0]=3 5693 B9R0.29 C[C@H](OC)[C@H](NC)C(O)=O Amb24478844 [0,2,0,0,0,0|2,0,0]=4 5694 B9R0.29 NC[C@@H]([C@H](O)CF)C(O)=O Amb25102471 [0,2,0,0,0,0|2,0,0]=4 5695 B9R0.32 CC(=C)C(O)C(C)(C)CO Amb25734397 [0,2,0,0,0,0|2,0,0]=4 5696 B9R0.32 CC(=O)N(C)C(C)(C)CO Amb24096328 [0,2,0,0,0,0|2,0,0]=4 5697 B9R0.32 CC(C(O)=O)C(C)(C)C=C Amb18643892 [0,2,0,0,0,0|1,0,1]=4 5698 B9R0.32 CC(C(O)=O)C(C)(O)C#N Amb25367972 [0,2,0,0,0,0|1,0,1]=4 5699 B9R0.32 CC(C)(C=C)C(N)C(O)=O Amb25703173 [0,2,0,0,0,0|1,0,1]=4 5700 B9R0.32 CC(C)(C=C)C(O)C(O)=O Amb25789992 [0,2,0,0,0,0|1,0,1]=4 5701 B9R0.32 CC(C)(C=O)C(O)C(O)=O Amb25118019 [0,2,0,0,0,0|0,0,2]=4 5702 B9R0.32 CC(C)(CCl)C(N)C(O)=O Amb24558312 [0,2,0,0,0,0|1,0,0]=3 5703 B9R0.32 CC(C)(CN)[C@@H](O)C(O)=O Amb25757349 [0,2,0,0,0,0|1,0,0]=3 5704 B9R0.32 CC(C)(CO)C(O)C(=O)Cl Amb24480409 [0,2,0,0,0,0|1,0,0]=3 5705 B9R0.32 CC(C)(CO)C(O)C(O)=O Amb18644357 [0,2,0,0,0,0|0,0,0]=2 5706 B9R0.32 CC(C)(CO)C(O)C(O)O Amb25740633 [0,2,0,0,0,0|0,0,2]=4 5707 B9R0.32 CC(C)(CO)C(O)C([O-])=O Amb24118017 [0,2,0,0,0,0|0,0,1]=3 5708 B9R0.32 CC(C)(CO)[C@H](N)C(O)=O Amb25265734 [0,2,0,0,0,0|0,0,0]=2 5709 B9R0.32 CC(C)(CO)[C@H](O)C(N)=O Amb25858946 [0,2,0,0,0,0|1,0,0]=3 5710 B9R0.32 CC(C)(SS)C(N)C(O)=O Amb25282986 [0,2,0,0,0,0|1,1,0]=4 5711 B9R0.32 CC(O)(CF)C(O)C(O)=O Amb24440807 [0,2,0,0,0,0|1,0,0]=3 5712 B9R0.32 CC(O)(CO)C(O)C(O)O Amb25058031 [0,2,0,0,0,0|0,0,2]=4 5713 B9R0.32 CCC(C(=O)C(=O)O)(C)C Amb10569501 [0,2,0,0,0,0|1,0,1]=4 5714 B9R0.32 CCC(C)(C)C(N)C(N)=O Amb24565547 [0,2,0,0,0,0|2,0,0]=4 5715 B9R0.32 CCC(C)(C)[C@H](N)C(O)=O Amb24699415 [0,2,0,0,0,0|1,0,0]=3 5716 B9R0.32 CCC(C)(Cl)C(C)C(C)=O Amb25146576 [0,2,0,0,0,0|2,0,0]=4 5717 B9R0.32 CCC(C)(Cl)[C@H](N)C(O)=O Amb25701696 [0,2,0,0,0,0|1,0,0]=3 5718 B9R0.32 CCC(C)(N)C(O)C(N)=O Amb24746386 [0,2,0,0,0,0|2,0,0]=4 5719 B9R0.32 CCC(C)(O)C(=O)C(O)=O Amb22731859 [0,2,0,0,0,0|1,0,1]=4 5720 B9R0.32 CCC(C)(O)C(C)C(O)=O Amb18990593 [0,2,0,0,0,0|1,0,0]=3 5721 B9R0.32 CCC(C)(O)[C@@H](N)C(O)=O Amb25147507 [0,2,0,0,0,0|1,0,0]=3 5722 B9R0.32 CC[C@@](C)(O)[C@H](O)C(O)=O Amb25825540 [0,2,0,0,0,0|1,0,0]=3 5723 B9R0.32 CC[C@@](C)(S)[C@@H](N)C(O)=O Amb24482392 [0,2,0,0,0,0|1,0,0]=3 5724 B9R0.32 CC[C@](C)(O)[C@H](C)C(O)=O Amb24480440 [0,2,0,0,0,0|1,0,0]=3 5725 B9R0.32 COC(C(C(=O)O)Br)(C)C Amb10070092 [0,2,0,0,0,0|2,0,0]=4 5726 B9R0.32 COC(C(C(=O)O)N)(C)C Amb10070091 [0,2,0,0,0,0|2,0,0]=4 5727 B9R0.32 COC(C)(C)[C@H](N)C(O)=O Amb22229351 [0,2,0,0,0,0|2,0,0]=4 5728 B9R0.32 CSC(C)(C)[C@@H](N)C(O)=O Amb24482204 [0,2,0,0,0,0|2,0,0]=4 5729 B9R0.32 CSC(C)(C)[C@H](N)C(O)=O Amb24355892 [0,2,0,0,0,0|2,0,0]=4 5730 B9R0.32 C[C@@](O)(CF)[C@@H](N)C(O)=O Amb24627279 [0,2,0,0,0,0|1,0,0]=3 5731 B9R0.32 C[C@@](O)(CO)[C@H](N)C(O)=O Amb25251068 [0,2,0,0,0,0|0,0,0]=2 5732 B9R0.32 C[C@](O)(CN)[C@@H](O)C(O)=O Amb25727684 [0,2,0,0,0,0|1,0,0]=3 5733 B9R0.32 C[C@](O)(CN)[C@H](O)C(O)=O Amb25701236 [0,2,0,0,0,0|1,0,0]=3 5734 B9R0.32 NC(C(O)=O)C(F)(F)CS Amb25351360 [0,2,0,0,0,0|1,1,0]=4 5735 B9R0.32 OCC(C(C(=O)O)N)(C)C Amb17593671 [0,2,0,0,0,0|0,0,0]=2 5736 B9R0.32 OCP(O)(=O)C(O)C(O)=O Amb24462681 [0,2,0,0,0,0|2,0,0]=4 5737 B9R0.41 CC(=O)C(Br)C(CC)OC Amb24666723 [0,2,0,0,0,0|2,0,0]=4 5738 B9R0.41 CC(=O)C(O)C(CC)CC Amb25357541 [0,2,0,0,0,0|2,0,0]=4 5739 B9R0.41 CC(=O)N(C)C(CO)CO Amb24729795 [0,2,0,0,0,0|2,0,0]=4 5740 B9R0.41 CC(C(C=C)OC)C(O)=O Amb25340446 [0,2,0,0,0,0|1,0,1]=4 5741 B9R0.41 CC(C(CC)CC)C(C)=O Amb24732964 [0,2,0,0,0,0|2,0,0]=4 5742 B9R0.41 CC(C(CC)CC)C(N)=O Amb25318247 [0,2,0,0,0,0|2,0,0]=4 5743 B9R0.41 CC(C(CC)CC)C(O)=O Amb18831490 [0,2,0,0,0,0|1,0,0]=3 5744 B9R0.41 CC(C(CCl)CCl)C(O)=O Amb25800661 [0,2,0,0,0,0|1,0,0]=3 5745 B9R0.41 CC(C(OC)OC)C(O)=O Amb24401121 [0,2,0,0,0,0|2,0,0]=4 5746 B9R0.41 CCC(=CC)C(C)C(O)=O Amb25259508 [0,2,0,0,0,0|1,0,1]=4 5747 B9R0.41 CCC(=CC)C(N)C(O)=O Amb25701826 [0,2,0,0,0,0|1,0,1]=4 5748 B9R0.41 CCC(=CC)[C@@H](N)C(O)=O Amb24616440 [0,2,0,0,0,0|1,0,1]=4 5749 B9R0.41 CCC(C#N)C(O)C(O)=O Amb24386131 [0,2,0,0,0,0|1,0,1]=4 5750 B9R0.41 CCC(CC)C(=O)C(O)=O Amb25085109 [0,2,0,0,0,0|1,0,1]=4 5751 B9R0.41 CCC(CC)C(Br)C(O)=O Amb24574692 [0,2,0,0,0,0|1,0,0]=3 5752 B9R0.41 CCC(CC)C(Cl)C(N)=O Amb18800737 [0,2,0,0,0,0|2,0,0]=4 5753 B9R0.41 CCC(CC)C(F)C(O)=O Amb25823402 [0,2,0,0,0,0|1,0,0]=3 5754 B9R0.41 CCC(CC)C(N)C(N)=O Amb18307119 [0,2,0,0,0,0|2,0,0]=4 5755 B9R0.41 CCC(CC)C(N)C(O)=O Amb19375421 [0,2,0,0,0,0|1,0,0]=3 5756 B9R0.41 CCC(CC)C(O)C(N)=O Amb24123036 [0,2,0,0,0,0|2,0,0]=4 5757 B9R0.41 CCC(CC)C(O)C(O)=O Amb19013419 [0,2,0,0,0,0|1,0,0]=3 5758 B9R0.41 CCC(CCl)C(N)C(O)=O Amb25104857 [0,2,0,0,0,0|1,0,0]=3 5759 B9R0.41 CCC(CN)C(O)C(O)=O Amb24700895 [0,2,0,0,0,0|1,0,0]=3 5760 B9R0.41 CCC(CO)N(C)C(N)=O Amb24632095 [0,2,0,0,0,0|2,0,0]=4 5761 B9R0.41 CCC(OC)C(=C)C(O)=O Amb25757932 [0,2,0,0,0,0|1,0,1]=4 5762 B9R0.41 CCC(OC)C(Br)C(O)=O Amb25224428 [0,2,0,0,0,0|1,0,0]=3 5763 B9R0.41 CCC(OC)C(N)C(O)=O Amb24381341 [0,2,0,0,0,0|1,0,0]=3 5764 B9R0.41 CCC(OC)C(O)C(N)=O Amb25348258 [0,2,0,0,0,0|2,0,0]=4 5765 B9R0.41 CCC(OC)C(O)C(O)=O Amb25695288 [0,2,0,0,0,0|1,0,0]=3 5766 B9R0.41 CCC([C@@H](C(=O)O)N)CC Amb17612761 [0,2,0,0,0,0|1,0,0]=3 5767 B9R0.41 CCC([C@H](C(=O)O)N)CC Amb17612760 [0,2,0,0,0,0|1,0,0]=3 5768 B9R0.41 CC[C@@H](CO)[C@H](O)C(C)=C Amb25345066 [0,2,0,0,0,0|2,0,0]=4 5769 B9R0.41 CC[C@@H](OC)[C@H](N)C(O)=O Amb24745671 [0,2,0,0,0,0|1,0,0]=3 5770 B9R0.41 CC\C(=C/C)\C(C)C(O)=O Amb18643898 [0,2,0,0,0,0|1,0,1]=4 5771 B9R0.41 CC\C(=C\C)\[C@@H](N)C(O)=O Amb25147301 [0,2,0,0,0,0|1,0,1]=4 5772 B9R0.41 COC(OC)C(Cl)C(O)=O Amb25349475 [0,2,0,0,0,0|2,0,0]=4 5773 B9R0.41 COC(OC)[C@@H](N)C(O)=O Amb24120392 [0,2,0,0,0,0|2,0,0]=4 5774 B9R0.41 COC(OC)[C@H](N)C(O)=O Amb24658204 [0,2,0,0,0,0|2,0,0]=4 5775 B9R0.41 CO[C@@H](CO)[C@@H](O)C(N)=O Amb25147298 [0,2,0,0,0,0|1,0,0]=3 5776 B9R0.41 C[C@@H](C(CC)CC)C(O)=O Amb25255941 [0,2,0,0,0,0|1,0,0]=3 5777 B9R0.41 C[C@@H](C(O)=O)N(CC)CC Amb24599977 [0,2,0,0,0,0|2,0,0]=4 5778 B9R0.41 C[C@@H](C(OC)OC)C(O)=O Amb25694344 [0,2,0,0,0,0|2,0,0]=4 5779 B9R0.41 C[C@@H]([C@@H](C=C)OC)C(O)=O Amb25840435 [0,2,0,0,0,0|1,0,1]=4 5780 B9R0.41 C[C@@H]([C@@H](CC)C=C)C(O)=O Amb24479222 [0,2,0,0,0,0|1,0,1]=4 5781 B9R0.41 C[C@@H]([C@H](CC)C#C)C(O)=O Amb24402902 [0,2,0,0,0,0|1,0,1]=4 5782 B9R0.41 C[C@H](C(O)=O)N(CC)CC Amb24671303 [0,2,0,0,0,0|2,0,0]=4 5783 B9R0.41 C[C@H]([C@@H](CC)C#C)C(O)=O Amb24671284 [0,2,0,0,0,0|1,0,1]=4 5784 B9R0.41 C[C@H]([C@H](CC)C=C)C(O)=O Amb25703518 [0,2,0,0,0,0|1,0,1]=4 5785 B9R0.41 NC(C(CF)CF)C(O)=O Amb25088384 [0,2,0,0,0,0|1,0,0]=3 5786 B9R0.41 NC(C(CO)CO)C(O)=O Amb24436950 [0,2,0,0,0,0|0,0,0]=2 5787 B9R0.41 N[C@H](C(CO)CO)C(O)=O Amb25757902 [0,2,0,0,0,0|0,0,0]=2 5788 B9R0.79 CC(=C)[C@@H](C)[C@H](C)C(O)=O Amb24480381 [0,2,0,0,0,0|1,0,1]=4 5789 B9R0.79 CC(=C)[C@H](C)[C@H](C)C(O)=O Amb25122106 [0,2,0,0,0,0|1,0,1]=4 5790 B9R0.79 CC(=O)C(C)C(C)C(O)=O Amb24401092 [0,2,0,0,0,0|0,0,2]=4 5791 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,2,0,0,0,0|0,0,2]=4 5792 B9R0.79 CC(=O)C(C)C(O)C(O)=O Amb25341155 [0,2,0,0,0,0|0,0,2]=4 5793 B9R0.79 CC(=O)C(O)C(C)C(O)=O Amb25255327 [0,2,0,0,0,0|1,0,1]=4 5794 B9R0.79 CC(=O)[C@@H](C)[C@H](C)C(O)=O Amb25771163 [0,2,0,0,0,0|0,0,2]=4 5795 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,2,0,0,0,0|0,0,2]=4 5796 B9R0.79 CC(=O)[C@@H](O)[C@H](C)C(O)=O Amb25077192 [0,2,0,0,0,0|1,0,1]=4 5797 B9R0.79 CC(=O)[C@H](C)[C@H](C)C(O)=O Amb25805859 [0,2,0,0,0,0|0,0,2]=4 5798 B9R0.79 CC(=O)[C@H](C)[C@H](O)C(O)=O Amb24376865 [0,2,0,0,0,0|0,0,2]=4 5799 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,2,0,0,0,0|0,0,2]=4 5800 B9R0.79 CC(C(C)O)C(=O)C(O)=O Amb24454984 [0,2,0,0,0,0|0,0,1]=3 5801 B9R0.79 CC(C(N)C(O)=O)C(Cl)Cl Amb24412209 [0,2,0,0,0,0|1,0,0]=3 5802 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,2,0,0,0,0|1,0,1]=4 5803 B9R0.79 CC(C(O)C(O)=O)N(C)C Amb25274735 [0,2,0,0,0,0|2,0,0]=4 5804 B9R0.79 CC(C)C(C)C(C)C(C)=O Amb24432176 [0,2,0,0,0,0|2,0,0]=4 5805 B9R0.79 CC(C)C(C)C(C)C(N)=O Amb24650558 [0,2,0,0,0,0|2,0,0]=4 5806 B9R0.79 CC(C)C(C)C(C)C(O)=O Amb18124692 [0,2,0,0,0,0|1,0,0]=3 5807 B9R0.79 CC(C)C(C)C(Cl)C(N)=O Amb25117886 [0,2,0,0,0,0|2,0,0]=4 5808 B9R0.79 CC(C)C(C)C(F)C(O)=O Amb25853148 [0,2,0,0,0,0|1,0,0]=3 5809 B9R0.79 CC(C)C(C)C(O)C(N)=O Amb25099713 [0,2,0,0,0,0|2,0,0]=4 5810 B9R0.79 CC(C)C(Cl)C(N)C(O)=O Amb25779528 [0,2,0,0,0,0|2,0,0]=4 5811 B9R0.79 CC(C)C(O)C(Br)C(O)=O Amb25313138 [0,2,0,0,0,0|2,0,0]=4 5812 B9R0.79 CC(C)C(O)C(C)C(O)=O Amb18990636 [0,2,0,0,0,0|2,0,0]=4 5813 B9R0.79 CC(C)C(O)C(Cl)C(O)=O Amb25275308 [0,2,0,0,0,0|2,0,0]=4 5814 B9R0.79 CC(C)C(O)C(N)C(O)=O Amb23399656 [0,2,0,0,0,0|2,0,0]=4 5815 B9R0.79 CC(C)C(O)[C@@H](N)C(O)=O Amb19130451 [0,2,0,0,0,0|2,0,0]=4 5816 B9R0.79 CC(C)C(O)[C@H](N)C(O)=O Amb24509492 [0,2,0,0,0,0|2,0,0]=4 5817 B9R0.79 CC(C)[C@@H](C)[C@@H](C)C(C)=O Amb25146697 [0,2,0,0,0,0|2,0,0]=4 5818 B9R0.79 CC(C)[C@@H](C)[C@@H](N)C(O)=O Amb24670804 [0,2,0,0,0,0|1,0,0]=3 5819 B9R0.79 CC(C)[C@@H](C)[C@H](N)C(O)=O Amb25061907 [0,2,0,0,0,0|1,0,0]=3 5820 B9R0.79 CC(C)[C@@H](C)[C@H](O)C(O)=O Amb24447350 [0,2,0,0,0,0|1,0,0]=3 5821 B9R0.79 CC(C)[C@@H](F)[C@@H](N)C(O)=O Amb22802115 [0,2,0,0,0,0|2,0,0]=4 5822 B9R0.79 CC(C)[C@@H](N)C(O)C(O)=O Amb25258947 [0,2,0,0,0,0|2,0,0]=4 5823 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(O)=O Amb22224932 [0,2,0,0,0,0|2,0,0]=4 5824 B9R0.79 CC(C)[C@@H](O)[C@@H](O)C(O)=O Amb25222321 [0,2,0,0,0,0|2,0,0]=4 5825 B9R0.79 CC(C)[C@@H](O)[C@H](O)C(O)=O Amb24550312 [0,2,0,0,0,0|2,0,0]=4 5826 B9R0.79 CC(C)[C@@H](S)[C@H](N)C(O)=O Amb25302326 [0,2,0,0,0,0|2,0,0]=4 5827 B9R0.79 CC(C)[C@H](C)[C@@H](N)C(O)=O Amb25147401 [0,2,0,0,0,0|1,0,0]=3 5828 B9R0.79 CC(C)[C@H](C)[C@H](C)C(N)=O Amb24746183 [0,2,0,0,0,0|2,0,0]=4 5829 B9R0.79 CC(C)[C@H](C)[C@H](O)C(O)=O Amb24548143 [0,2,0,0,0,0|1,0,0]=3 5830 B9R0.79 CC(C)[C@H](N)C(O)C(O)=O Amb24744520 [0,2,0,0,0,0|2,0,0]=4 5831 B9R0.79 CC(C)[C@H](N)[C@@H](F)C(O)=O Amb24629885 [0,2,0,0,0,0|2,0,0]=4 5832 B9R0.79 CC(C)[C@H](N)[C@@H](O)C(O)=O Amb24428177 [0,2,0,0,0,0|2,0,0]=4 5833 B9R0.79 CC(C)[C@H](N)[C@H](O)C(O)=O Amb25147282 [0,2,0,0,0,0|2,0,0]=4 5834 B9R0.79 CC(C)[C@H](O)[C@@H](Br)C(O)=O Amb24598278 [0,2,0,0,0,0|2,0,0]=4 5835 B9R0.79 CC(N)C(C)C(C)C(O)=O Amb25828384 [0,2,0,0,0,0|1,0,0]=3 5836 B9R0.79 CC(O)C(C)C(C)C(C)O Amb25839405 [0,2,0,0,0,0|1,0,1]=4 5837 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,2,0,0,0,0|0,0,0]=2 5838 B9R0.79 CC(O)C(C)C(O)C(C)=C Amb24648192 [0,2,0,0,0,0|2,0,0]=4 5839 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,2,0,0,0,0|0,0,0]=2 5840 B9R0.79 CC(O)C(O)C(O)C(C)=O Amb25145498 [0,2,0,0,0,0|2,0,0]=4 5841 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,2,0,0,0,0|0,0,0]=2 5842 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,2,0,0,0,0|0,0,1]=3 5843 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,2,0,0,0,0|0,0,0]=2 5844 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C Amb10844253 [0,2,0,0,0,0|2,0,0]=4 5845 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C Amb10807407 [0,2,0,0,0,0|2,0,0]=4 5846 B9R0.79 CN(O)C(C)C(C)C(O)=O Amb24540667 [0,2,0,0,0,0|1,0,0]=3 5847 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,2,0,0,0,0|1,0,0]=3 5848 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,2,0,0,0,0|0,0,0]=2 5849 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,2,0,0,0,0|0,0,0]=2 5850 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(C)=O Amb24661092 [0,2,0,0,0,0|2,0,0]=4 5851 B9R0.79 C[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24482345 [0,2,0,0,0,0|1,0,0]=3 5852 B9R0.79 C[C@@H](O)[C@H](O)[C@H](O)C(O)=O Amb24711187 [0,2,0,0,0,0|1,0,0]=3 5853 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,2,0,0,0,0|0,0,1]=3 5854 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,2,0,0,0,0|0,0,1]=3 5855 B9R0.79 C[C@@H]([C@H](O)C(O)=O)N(C)C Amb24480709 [0,2,0,0,0,0|2,0,0]=4 5856 B9R0.79 C[C@@H]([C@H](O)[C@H](C)N)C(O)=O Amb24563136 [0,2,0,0,0,0|2,0,0]=4 5857 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,2,0,0,0,0|0,0,2]=4 5858 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,2,0,0,0,0|0,0,0]=2 5859 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(N)=O Amb24712923 [0,2,0,0,0,0|2,0,0]=4 5860 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25374422 [0,2,0,0,0,0|1,0,0]=3 5861 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,2,0,0,0,0|0,0,2]=4 5862 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,2,0,0,0,0|0,0,0]=2 5863 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,2,0,0,0,0|0,0,1]=3 5864 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(C)Cl Amb25363328 [0,2,0,0,0,0|1,0,0]=3 5865 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,2,0,0,0,0|0,0,1]=3 5866 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,2,0,0,0,0|1,0,1]=4 5867 B9R0.79 NC(C(Cl)C(Cl)Cl)C(O)=O Amb24375729 [0,2,0,0,0,0|2,0,0]=4 5868 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,2,0,0,0,0|1,0,1]=4 5869 B9R0.79 NC(C(F)C(O)=O)C(F)F Amb24482391 [0,2,0,0,0,0|2,0,0]=4 5870 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,2,0,0,0,0|1,0,1]=4 5871 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,2,0,0,0,0|1,0,1]=4 5872 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,2,0,0,0,0|1,0,1]=4 5873 B9R0.79 NC(C(O)C(F)F)C(O)=O Amb19148422 [0,2,0,0,0,0|2,0,0]=4 5874 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,2,0,0,0,0|1,0,1]=4 5875 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,2,0,0,0,0|1,0,1]=4 5876 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,2,0,0,0,0|1,0,1]=4 5877 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,2,0,0,0,0|1,0,1]=4 5878 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,2,0,0,0,0|1,0,1]=4 5879 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,2,0,0,0,0|1,0,1]=4 5880 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,2,0,0,0,0|1,0,1]=4 5881 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,2,0,0,0,0|1,0,1]=4 5882 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,2,0,0,0,0|1,0,1]=4 5883 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,2,0,0,0,0|0,0,1]=3 5884 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,2,0,0,0,0|0,0,1]=3 5885 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,2,0,0,0,0|0,0,1]=3 5886 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,2,0,0,0,0|1,0,1]=4 5887 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,2,0,0,0,0|1,0,1]=4 5888 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,2,0,0,0,0|1,0,1]=4 5889 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,2,0,0,0,0|1,0,1]=4 5890 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,2,0,0,0,0|1,0,1]=4 5891 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,2,0,0,0,0|1,0,1]=4 5892 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,2,0,0,0,0|1,0,1]=4 5893 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,2,0,0,0,0|1,0,1]=4 5894 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,2,0,0,0,0|1,0,1]=4 5895 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,2,0,0,0,0|1,0,1]=4 5896 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,2,0,0,0,0|1,0,1]=4 5897 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,2,0,0,0,0|1,0,1]=4 5898 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,2,0,0,0,0|1,0,1]=4 5899 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,2,0,0,0,0|1,0,1]=4 5900 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,2,0,0,0,0|1,0,1]=4 5901 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,2,0,0,0,0|1,0,1]=4 5902 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,2,0,0,0,0|1,0,1]=4 5903 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,2,0,0,0,0|1,0,1]=4 5904 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,2,0,0,0,0|1,0,1]=4 5905 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,2,0,0,0,0|1,0,1]=4 5906 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,2,0,0,0,0|1,0,1]=4 5907 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,2,0,0,0,0|0,0,1]=3 5908 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,2,0,0,0,0|1,0,1]=4 5909 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,2,0,0,0,0|1,0,1]=4 5910 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,2,0,0,0,0|1,0,1]=4 5911 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,2,0,0,0,0|1,0,1]=4 5912 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,2,0,0,0,0|1,0,1]=4 5913 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,2,0,0,0,0|1,0,1]=4 5914 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,2,0,0,0,0|1,0,1]=4 5915 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,2,0,0,0,0|1,0,1]=4 5916 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,2,0,0,0,0|1,0,1]=4 5917 B9R0.79 OC(C(O)C(F)F)C(O)=O Amb24639614 [0,2,0,0,0,0|2,0,0]=4 5918 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,2,0,0,0,0|1,0,1]=4 5919 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,2,0,0,0,0|1,0,1]=4 5920 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,2,0,0,0,0|1,0,1]=4 5921 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,2,0,0,0,0|1,0,1]=4 5922 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,2,0,0,0,0|1,0,1]=4 5923 B9R0.4 C=CCCC(N)CC(O)=O Amb22641959 [0,2,0,0,0,0|2,0,0]=4 5924 B9R0.4 C=CCCC(O)CC(O)=O Amb24763775 [0,2,0,0,0,0|2,0,0]=4 5925 B9R0.4 C=CCC[C@@H](CC(=O)O)N Amb10066917 [0,2,0,0,0,0|2,0,0]=4 5926 B9R0.4 C=CCC[C@H](CC(=O)O)N Amb10066925 [0,2,0,0,0,0|2,0,0]=4 5927 B9R0.4 C=CCNC(CC(=O)N)C Amb17231945 [0,2,0,0,0,0|2,0,0]=4 5928 B9R0.4 CC#CCC(C)CC(O)=O Amb24350965 [0,2,0,0,0,0|1,0,0]=3 5929 B9R0.4 CC#CCN(C)CC(O)=O Amb19026772 [0,2,0,0,0,0|2,0,0]=4 5930 B9R0.4 CC#CC[C@@H](C)CC(O)=O Amb24616270 [0,2,0,0,0,0|1,0,0]=3 5931 B9R0.4 CC(=O)CN(C)CCCO Amb25281520 [0,2,0,0,0,0|2,0,0]=4 5932 B9R0.4 CC(C#CCO)OC(C)=O Amb24705712 [0,2,0,0,0,0|2,0,0]=4 5933 B9R0.4 CC(CC(C)=O)=NCCO Amb24662323 [0,2,0,0,0,0|1,0,1]=4 5934 B9R0.4 CC(CC(C)=O)CCC#C Amb24685891 [0,2,0,0,0,0|2,0,0]=4 5935 B9R0.4 CC(CC(C)=O)CCC=C Amb24738371 [0,2,0,0,0,0|2,0,0]=4 5936 B9R0.4 CC(CC(C)=O)SCCO Amb25777590 [0,2,0,0,0,0|1,0,0]=3 5937 B9R0.4 CC(CC(N)=N)SCCO Amb18792443 [0,2,0,0,0,0|2,0,0]=4 5938 B9R0.4 CC(CC(N)=O)NCCBr Amb24482960 [0,2,0,0,0,0|2,0,0]=4 5939 B9R0.4 CC(CC(N)=O)NCCF Amb25225173 [0,2,0,0,0,0|2,0,0]=4 5940 B9R0.4 CC(CC(N)=O)NCCO Amb19981205 [0,2,0,0,0,0|1,0,0]=3 5941 B9R0.4 CC(CC(O)=O)=NCC#N Amb25844075 [0,2,0,0,0,0|1,0,1]=4 5942 B9R0.4 CC(CC(O)=O)CCC#N Amb25789692 [0,2,0,0,0,0|1,0,0]=3 5943 B9R0.4 CC(CC(O)=O)CCC=C Amb18643923 [0,2,0,0,0,0|1,0,0]=3 5944 B9R0.4 CC(CC(O)=O)NCC#N Amb24376473 [0,2,0,0,0,0|1,0,0]=3 5945 B9R0.4 CC(CC(O)=O)NCCCl Amb25806095 [0,2,0,0,0,0|1,0,0]=3 5946 B9R0.4 CC(CC(O)=O)SCCF Amb24399399 [0,2,0,0,0,0|1,0,0]=3 5947 B9R0.4 CC(CC(O)=O)SCCN Amb18788220 [0,2,0,0,0,0|1,0,0]=3 5948 B9R0.4 CC(CCCCl)CC(O)=O Amb18646190 [0,2,0,0,0,0|1,0,0]=3 5949 B9R0.4 CC(CCCN)CC(O)=O Amb24761313 [0,2,0,0,0,0|1,0,0]=3 5950 B9R0.4 CC(CCCO)NC(N)=O Amb25197805 [0,2,0,0,0,0|2,0,0]=4 5951 B9R0.4 CC(CCCO)OC(C)=O Amb24387041 [0,2,0,0,0,0|2,0,0]=4 5952 B9R0.4 CC(CCOC)=CC(O)=O Amb25309097 [0,2,0,0,0,0|0,0,2]=4 5953 B9R0.4 CC(COCC)=CC(O)=O Amb25348858 [0,2,0,0,0,0|0,0,2]=4 5954 B9R0.4 CC(CS(C)=O)NCCO Amb24524661 [0,2,0,0,0,0|2,0,0]=4 5955 B9R0.4 CC=C=CC(C)CC(O)=O Amb24480691 [0,2,0,0,0,0|1,0,1]=4 5956 B9R0.4 CCCCC(C)CC(C)=O Amb25051695 [0,2,0,0,0,0|2,0,0]=4 5957 B9R0.4 CCCCC(C)CC(N)=O Amb24761512 [0,2,0,0,0,0|2,0,0]=4 5958 B9R0.4 CCCCC(CC(=O)O)N Amb1993866 [0,2,0,0,0,0|2,0,0]=4 5959 B9R0.4 CCCCC(O)CC(O)=O Amb22388888 [0,2,0,0,0,0|2,0,0]=4 5960 B9R0.4 CCCC[C@@H](O)CC(O)=O Amb24350627 [0,2,0,0,0,0|2,0,0]=4 5961 B9R0.4 CCCNC(CC(=O)N)C Amb17231986 [0,2,0,0,0,0|2,0,0]=4 5962 B9R0.4 CCCO[C@H](C)CC(O)=O Amb24450437 [0,2,0,0,0,0|1,0,0]=3 5963 B9R0.4 CCCSC(C)CC(C)=O Amb24456282 [0,2,0,0,0,0|2,0,0]=4 5964 B9R0.4 CCOCC(C)CC(C)=O Amb25144963 [0,2,0,0,0,0|1,0,0]=3 5965 B9R0.4 CCOCC(C)CC(O)=O Amb18202330 [0,2,0,0,0,0|0,0,0]=2 5966 B9R0.4 CCOCC(C)NC(N)=O Amb25253424 [0,2,0,0,0,0|2,0,0]=4 5967 B9R0.4 CCOCC(C)OC(C)=O Amb22732225 [0,2,0,0,0,0|2,0,0]=4 5968 B9R0.4 CCOCC(Cl)CC(O)=O Amb24426131 [0,2,0,0,0,0|1,0,0]=3 5969 B9R0.4 CCOC[C@@H](C)OC(C)=O Amb24369884 [0,2,0,0,0,0|2,0,0]=4 5970 B9R0.4 CCOC[C@H](C)NC(C)=O Amb25086188 [0,2,0,0,0,0|2,0,0]=4 5971 B9R0.4 CC\C=C\C(C)CC(O)=O Amb18643922 [0,2,0,0,0,0|1,0,0]=3 5972 B9R0.4 CC\C=C\C(N)CC(O)=O Amb25843767 [0,2,0,0,0,0|2,0,0]=4 5973 B9R0.4 CC\C=C\C(O)CC(O)=O Amb22831930 [0,2,0,0,0,0|2,0,0]=4 5974 B9R0.4 CN(CC(O)=O)CCC#C Amb19373375 [0,2,0,0,0,0|2,0,0]=4 5975 B9R0.4 CN(CC(O)=O)CCC=C Amb25683888 [0,2,0,0,0,0|2,0,0]=4 5976 B9R0.4 CN(CCCF)CC(O)=O Amb24340278 [0,2,0,0,0,0|2,0,0]=4 5977 B9R0.4 CN(CCCN)CC(O)=O Amb25794990 [0,2,0,0,0,0|2,0,0]=4 5978 B9R0.4 CN(CCCO)CC(N)=O Amb25853093 [0,2,0,0,0,0|2,0,0]=4 5979 B9R0.4 CNCCC(C)CC(O)=O Amb24694269 [0,2,0,0,0,0|1,0,0]=3 5980 B9R0.4 CNCC[C@@H](N)CC(O)=O Amb24117036 [0,2,0,0,0,0|2,0,0]=4 5981 B9R0.4 CNCC[C@H](N)CC(O)=O Amb25789535 [0,2,0,0,0,0|2,0,0]=4 5982 B9R0.4 COCCC(C)CC(N)=O Amb25842751 [0,2,0,0,0,0|1,0,0]=3 5983 B9R0.4 COCCC(C)OC(C)=O Amb24482618 [0,2,0,0,0,0|2,0,0]=4 5984 B9R0.4 COCCC(N)CC(C)=O Amb25147726 [0,2,0,0,0,0|2,0,0]=4 5985 B9R0.4 COCCN(C)CC(C)=O Amb24642711 [0,2,0,0,0,0|2,0,0]=4 5986 B9R0.4 COCCN(C)CC(O)=O Amb22587006 [0,2,0,0,0,0|1,0,0]=3 5987 B9R0.4 COCCN(C)CC(O)=O Amb22587626 [0,2,0,0,0,0|1,0,0]=3 5988 B9R0.4 COCCS(=O)CC(O)=O Amb18792760 [0,2,0,0,0,0|2,0,0]=4 5989 B9R0.4 COCOC(C)CC(C)=O Amb25146513 [0,2,0,0,0,0|1,0,0]=3 5990 B9R0.4 COCOC(C)CC(C)O Amb25721585 [0,2,0,0,0,0|1,0,1]=4 5991 B9R0.4 COCO[C@H](C)CC(C)=O Amb25320140 [0,2,0,0,0,0|1,0,0]=3 5992 B9R0.4 COCO[C@H](C)CC(O)=O Amb24715879 [0,2,0,0,0,0|0,0,0]=2 5993 B9R0.4 CSCCC(N)CC(O)=O Amb22353181 [0,2,0,0,0,0|1,1,0]=4 5994 B9R0.4 CSCCC(O)CC(O)=O Amb18798349 [0,2,0,0,0,0|1,1,0]=4 5995 B9R0.4 CSCC[C@@H](CC(=O)O)N Amb16184019 [0,2,0,0,0,0|1,1,0]=4 5996 B9R0.4 CSCC[C@H](N)CC(O)=O Amb22352993 [0,2,0,0,0,0|1,1,0]=4 5997 B9R0.4 C[C@@H](CCCN)CC(O)=O Amb24744945 [0,2,0,0,0,0|1,0,0]=3 5998 B9R0.4 C[C@H](C#CCO)OC(C)=O Amb24688228 [0,2,0,0,0,0|2,0,0]=4 5999 B9R0.4 C[C@H](CC(C)=O)CCC=O Amb25131149 [0,2,0,0,0,0|1,0,1]=4 6000 B9R0.4 C[C@H](CC(O)=O)CCC#C Amb25064050 [0,2,0,0,0,0|1,0,0]=3 6001 B9R0.4 C[C@H](CC(O)=O)CCC=C Amb24674116 [0,2,0,0,0,0|1,0,0]=3 6002 B9R0.4 C[C@H](CC(O)=O)OCC=C Amb25697767 [0,2,0,0,0,0|1,0,0]=3 6003 B9R0.4 C[C@H](CC(O)=O)OCCO Amb24713383 [0,2,0,0,0,0|0,0,0]=2 6004 B9R0.4 C[C@H](CCCN)CC(O)=O Amb24715301 [0,2,0,0,0,0|1,0,0]=3 6005 B9R0.4 C[C@H](CCCS)CC(O)=O Amb24358051 [0,2,0,0,0,0|0,1,0]=3 6006 B9R0.4 C\C(=C/C(O)=O)\OCOC Amb24505156 [0,2,0,0,0,0|0,0,2]=4 6007 B9R0.4 C\C(\CC(O)=O)=C\CSC Amb24726319 [0,2,0,0,0,0|0,1,1]=4 6008 B9R0.4 C\C=C/CC(C)CC(C)=O Amb25146817 [0,2,0,0,0,0|2,0,0]=4 6009 B9R0.4 NC(CCCS)CC(O)=O Amb24524306 [0,2,0,0,0,0|1,1,0]=4 6010 B9R0.4 NCCCC(N)CC(O)=O Amb18644278 [0,2,0,0,0,0|2,0,0]=4 6011 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117039 [0,2,0,0,0,0|2,0,0]=4 6012 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117927 [0,2,0,0,0,0|2,0,0]=4 6013 B9R0.4 NCCC[C@H](N)CC(O)=O Amb25757485 [0,2,0,0,0,0|2,0,0]=4 6014 B9R0.4 OC(=O)CC(=O)NCCO Amb25683950 [0,2,0,0,0,0|1,0,1]=4 6015 B9R0.4 O[C@@H](CCCBr)CC(O)=O Amb24605609 [0,2,0,0,0,0|2,0,0]=4 6016 B9R0.4 [N-]=[N+]=NCC(O)CC(O)=O Amb25222983 [0,2,0,0,0,0|2,0,0]=4 6017 B9R0.4 [N-]=[N+]=NC[C@H](O)CC(O)=O Amb24356370 [0,2,0,0,0,0|2,0,0]=4 6018 B9R0.14 C=CC(CC=O)CC(O)=O Amb18643819 [0,2,0,0,0,0|0,0,2]=4 6019 B9R0.14 C=CC(CCO)CC(O)=O Amb24595877 [0,2,0,0,0,0|0,0,1]=3 6020 B9R0.14 C=CCC(CC(O)=O)C=C Amb18643594 [0,2,0,0,0,0|1,0,1]=4 6021 B9R0.14 C=CCC(CO)CC(=C)Cl Amb24463919 [0,2,0,0,0,0|2,0,0]=4 6022 B9R0.14 C=C[C@H](CCO)CC(O)=O Amb24674139 [0,2,0,0,0,0|0,0,1]=3 6023 B9R0.14 CC(=O)CC(CCO)CO Amb24586786 [0,2,0,0,0,0|1,0,0]=3 6024 B9R0.14 CC(=O)CC(CO)CC=C Amb25142660 [0,2,0,0,0,0|1,0,0]=3 6025 B9R0.14 CC(=O)N[C@@H](CO)CC=C Amb24669171 [0,2,0,0,0,0|2,0,0]=4 6026 B9R0.14 CC(=O)OC(CBr)CCO Amb24616879 [0,2,0,0,0,0|2,0,0]=4 6027 B9R0.14 CC(O)CC(CO)CCC Amb25847449 [0,2,0,0,0,0|1,0,1]=4 6028 B9R0.14 CCC(CC#N)CC(C)=O Amb24698909 [0,2,0,0,0,0|2,0,0]=4 6029 B9R0.14 CCC(CC#N)CC(O)=O Amb24746759 [0,2,0,0,0,0|1,0,0]=3 6030 B9R0.14 CCC(CC(N)=O)NCC Amb24682966 [0,2,0,0,0,0|2,0,0]=4 6031 B9R0.14 CCC(CC(N)=O)OCC Amb24502290 [0,2,0,0,0,0|2,0,0]=4 6032 B9R0.14 CCC(CC(O)=O)N=[N+]=[N-] Amb24419941 [0,2,0,0,0,0|2,0,0]=4 6033 B9R0.14 CCC(CC(O)=O)SCC Amb18788141 [0,2,0,0,0,0|1,0,0]=3 6034 B9R0.14 CCC(CC=C)CC(C)=O Amb24478304 [0,2,0,0,0,0|2,0,0]=4 6035 B9R0.14 CCC(CCO)NC(C)=O Amb25265131 [0,2,0,0,0,0|2,0,0]=4 6036 B9R0.14 CCC(COC)=CC(O)=O Amb24640892 [0,2,0,0,0,0|0,0,2]=4 6037 B9R0.14 CCC(COC)CC(O)=O Amb18202336 [0,2,0,0,0,0|0,0,0]=2 6038 B9R0.14 CCC(COC)NC(C)=O Amb25799274 [0,2,0,0,0,0|2,0,0]=4 6039 B9R0.14 CCCC(CC(=O)Cl)CC Amb25090544 [0,2,0,0,0,0|2,0,0]=4 6040 B9R0.14 CCCC(CC(C)=O)OC Amb25076204 [0,2,0,0,0,0|2,0,0]=4 6041 B9R0.14 CCCC(CC(N)=O)NC Amb25069096 [0,2,0,0,0,0|2,0,0]=4 6042 B9R0.14 CCCC(CC(O)=O)C#C Amb25330154 [0,2,0,0,0,0|1,0,1]=4 6043 B9R0.14 CCCC(CC(O)=O)CC Amb18124694 [0,2,0,0,0,0|1,0,0]=3 6044 B9R0.14 CCCC(CC(O)=O)CO Amb24509175 [0,2,0,0,0,0|0,0,0]=2 6045 B9R0.14 CCCC(CC(O)=O)OC Amb25844554 [0,2,0,0,0,0|1,0,0]=3 6046 B9R0.14 CCCC(CN)CC(O)=O Amb24587738 [0,2,0,0,0,0|1,0,0]=3 6047 B9R0.14 CCCC(CO)CC(C)=O Amb24708488 [0,2,0,0,0,0|1,0,0]=3 6048 B9R0.14 CCC[C@@H](CN)CC(O)=O Amb25835673 [0,2,0,0,0,0|1,0,0]=3 6049 B9R0.14 CCC[C@@H](CO)OC(C)=O Amb25307611 [0,2,0,0,0,0|2,0,0]=4 6050 B9R0.14 CCC[C@H](CC(C)=O)CC Amb24646153 [0,2,0,0,0,0|2,0,0]=4 6051 B9R0.14 CCC[C@H](CC(O)=O)CC Amb24480703 [0,2,0,0,0,0|1,0,0]=3 6052 B9R0.14 CCN(CC#C)CC(O)=O Amb19008131 [0,2,0,0,0,0|2,0,0]=4 6053 B9R0.14 CCN(CC#N)CC(O)=O Amb19008132 [0,2,0,0,0,0|2,0,0]=4 6054 B9R0.14 CCN(CCN)CC(O)=O Amb25280640 [0,2,0,0,0,0|2,0,0]=4 6055 B9R0.14 CCOC(CC(N)=O)CN Amb24505233 [0,2,0,0,0,0|2,0,0]=4 6056 B9R0.14 CCOC(CC(O)=O)C#N Amb24480747 [0,2,0,0,0,0|1,0,1]=4 6057 B9R0.14 CCOC(CN)CC(O)=O Amb24672836 [0,2,0,0,0,0|1,0,0]=3 6058 B9R0.14 CCOC(CO)=CC(O)=O Amb25175015 [0,2,0,0,0,0|0,0,2]=4 6059 B9R0.14 CCO[C@@H](CC(O)=O)C#N Amb24383647 [0,2,0,0,0,0|1,0,1]=4 6060 B9R0.14 CCO\C(=C\C(=O)O)\CO Amb17593652 [0,2,0,0,0,0|0,0,2]=4 6061 B9R0.14 CCS(CC(O)=O)OCC Amb24449991 [0,2,0,0,0,0|2,0,0]=4 6062 B9R0.14 CC[C@@H](CC#N)CC(O)=O Amb25213966 [0,2,0,0,0,0|1,0,0]=3 6063 B9R0.14 CC[C@@H](CC=O)CC(C)=O Amb25768389 [0,2,0,0,0,0|1,0,1]=4 6064 B9R0.14 CC[C@H](CC=O)CC(C)=O Amb25299211 [0,2,0,0,0,0|1,0,1]=4 6065 B9R0.14 COC(CC#N)CC(O)=O Amb24669607 [0,2,0,0,0,0|1,0,0]=3 6066 B9R0.14 COC(CC(O)=O)OCC Amb24682697 [0,2,0,0,0,0|1,0,0]=3 6067 B9R0.14 COC(CCO)=CC(O)=O Amb24759166 [0,2,0,0,0,0|0,0,2]=4 6068 B9R0.14 COCC(CBr)NC(C)=O Amb25725579 [0,2,0,0,0,0|2,0,0]=4 6069 B9R0.14 COCC(CCl)NC(N)=O Amb25709611 [0,2,0,0,0,0|2,0,0]=4 6070 B9R0.14 COCC(CCl)OC(N)=O Amb24505274 [0,2,0,0,0,0|2,0,0]=4 6071 B9R0.14 COCC(CN)NC(C)=O Amb24475242 [0,2,0,0,0,0|2,0,0]=4 6072 B9R0.14 COCC(CO)NC(C)=O Amb25324512 [0,2,0,0,0,0|2,0,0]=4 6073 B9R0.14 COCC(CO)OC(C)=O Amb25098534 [0,2,0,0,0,0|2,0,0]=4 6074 B9R0.14 COC[C@@H](CO)OC(C)=O Amb24430030 [0,2,0,0,0,0|2,0,0]=4 6075 B9R0.14 COC\C(=C\C(O)=O)\OC Amb24648711 [0,2,0,0,0,0|0,0,2]=4 6076 B9R0.14 CONC(CO)CC(C)=C Amb25042152 [0,2,0,0,0,0|2,0,0]=4 6077 B9R0.14 CO[C@@H](CC=C)CC(O)=O Amb24642527 [0,2,0,0,0,0|1,0,0]=3 6078 B9R0.14 CSCC(CC(O)=O)SC Amb25201534 [0,2,0,0,0,0|0,1,0]=3 6079 B9R0.14 C\C=C/C(CC(O)=O)CN Amb24479019 [0,2,0,0,0,0|1,0,0]=3 6080 B9R0.14 C\C=C\C(CC(C)=O)CC Amb24454326 [0,2,0,0,0,0|2,0,0]=4 6081 B9R0.14 C\C=C\C(CC(O)=O)CC Amb18643921 [0,2,0,0,0,0|1,0,0]=3 6082 B9R0.14 C\C=C\C(CC(O)=O)CN Amb25259204 [0,2,0,0,0,0|1,0,0]=3 6083 B9R0.14 C\C=C\[C@@H](CC(O)=O)CC Amb25251887 [0,2,0,0,0,0|1,0,0]=3 6084 B9R0.14 NC(=O)N[C@H](CCO)CO Amb25739354 [0,2,0,0,0,0|2,0,0]=4 6085 B9R0.14 OCCN(CC(=O)Cl)CC Amb17142905 [0,2,0,0,0,0|2,0,0]=4 6086 B9R0.14 OCCN(CC(=O)N)CC Amb17142866 [0,2,0,0,0,0|2,0,0]=4 6087 B9R0.14 OCCN(CC(=O)O)N=O Amb17618586 [0,2,0,0,0,0|2,0,0]=4 6088 B9R0.14 OCCN(CC(O)=O)C=O Amb24636204 [0,2,0,0,0,0|1,0,1]=4 6089 B9R0.34 CC(CC#C)OC(=O)CO Amb24482607 [0,2,0,0,0,0|2,0,0]=4 6090 B9R0.34 CC(CC#N)NC(=O)CO Amb25056553 [0,2,0,0,0,0|2,0,0]=4 6091 B9R0.34 CC(CC(=O)C#N)CC#C Amb24725323 [0,2,0,0,0,0|2,0,0]=4 6092 B9R0.34 CC(CC(=O)CC)NCC Amb24480804 [0,2,0,0,0,0|2,0,0]=4 6093 B9R0.34 CC(CC(=O)CC)OCC Amb24631573 [0,2,0,0,0,0|2,0,0]=4 6094 B9R0.34 CC(CC(=O)NCC)CC Amb24480695 [0,2,0,0,0,0|2,0,0]=4 6095 B9R0.34 CC(CC(=O)OCCl)CCl Amb24739499 [0,2,0,0,0,0|1,0,0]=3 6096 B9R0.34 CC(CC(O)CC=O)CC Amb24636242 [0,2,0,0,0,0|1,0,1]=4 6097 B9R0.34 CC(CC(O)CCC)CO Amb24529165 [0,2,0,0,0,0|1,0,1]=4 6098 B9R0.34 CC(CC(O)CO)CCO Amb25739814 [0,2,0,0,0,0|0,0,2]=4 6099 B9R0.34 CC(CC(O)COC)CO Amb25722680 [0,2,0,0,0,0|0,0,2]=4 6100 B9R0.34 CC(CC(O)\C=C\C)CO Amb25044497 [0,2,0,0,0,0|1,0,1]=4 6101 B9R0.34 CC(CCC)CC(O)C=O Amb25778304 [0,2,0,0,0,0|1,0,1]=4 6102 B9R0.34 CC(CCN)CC(=O)NO Amb25210106 [0,2,0,0,0,0|1,0,0]=3 6103 B9R0.34 CC(CCO)NC(=O)CN Amb24375622 [0,2,0,0,0,0|2,0,0]=4 6104 B9R0.34 CC(CCO)NC(=O)CS Amb24479315 [0,2,0,0,0,0|1,1,0]=4 6105 B9R0.34 CC(CCO)OC(=O)C=C Amb25220523 [0,2,0,0,0,0|2,0,0]=4 6106 B9R0.34 CC(CCO)OC(=O)CS Amb25345165 [0,2,0,0,0,0|1,1,0]=4 6107 B9R0.34 CC(CN)CC(=O)CC=C Amb25119242 [0,2,0,0,0,0|2,0,0]=4 6108 B9R0.34 CC(CN)CC(=O)NC#N Amb25065050 [0,2,0,0,0,0|2,0,0]=4 6109 B9R0.34 CC(CN)CS(=O)CCO Amb24690012 [0,2,0,0,0,0|2,0,0]=4 6110 B9R0.34 CC(CO)NC(=O)CC#C Amb24480922 [0,2,0,0,0,0|2,0,0]=4 6111 B9R0.34 CC(CO)NC(=O)CC=C Amb24524496 [0,2,0,0,0,0|2,0,0]=4 6112 B9R0.34 CC(CO)NC(=O)CCCl Amb18177814 [0,2,0,0,0,0|2,0,0]=4 6113 B9R0.34 CC(CO)OC(=O)NCO Amb25757901 [0,2,0,0,0,0|1,0,0]=3 6114 B9R0.34 CC(COC)CC(O)C#C Amb24674479 [0,2,0,0,0,0|1,0,1]=4 6115 B9R0.34 CC(COC)CC(O)CC Amb25204410 [0,2,0,0,0,0|1,0,1]=4 6116 B9R0.34 CC(NC(=O)CBr)COC Amb17327377 [0,2,0,0,0,0|2,0,0]=4 6117 B9R0.34 CC(NC(=O)CC)CON Amb17138409 [0,2,0,0,0,0|2,0,0]=4 6118 B9R0.34 CC(NC(=O)CCl)COC Amb1204382 [0,2,0,0,0,0|2,0,0]=4 6119 B9R0.34 CCC(=O)CC(C)CC=C Amb25712973 [0,2,0,0,0,0|2,0,0]=4 6120 B9R0.34 CCC(=O)CC(C)COC Amb25315701 [0,2,0,0,0,0|1,0,0]=3 6121 B9R0.34 CCC(=O)CC(O)CCO Amb24662474 [0,2,0,0,0,0|2,0,0]=4 6122 B9R0.34 CCC(=O)C[C@H](C)CC=C Amb24620054 [0,2,0,0,0,0|2,0,0]=4 6123 B9R0.34 CCC(=O)NC(C)CCO Amb24479310 [0,2,0,0,0,0|2,0,0]=4 6124 B9R0.34 CCC(=O)N[C@@H](C)CCO Amb24482920 [0,2,0,0,0,0|2,0,0]=4 6125 B9R0.34 CCC(=O)N[C@H](C)COC Amb25120535 [0,2,0,0,0,0|2,0,0]=4 6126 B9R0.34 CCC(Br)CC(=O)OCC Amb24695293 [0,2,0,0,0,0|2,0,0]=4 6127 B9R0.34 CCC(C)CC(=O)CC#N Amb24723211 [0,2,0,0,0,0|2,0,0]=4 6128 B9R0.34 CCC(C)CC(=O)CC=C Amb25737376 [0,2,0,0,0,0|2,0,0]=4 6129 B9R0.34 CCC(C)CC(=O)CCO Amb24676908 [0,2,0,0,0,0|1,0,0]=3 6130 B9R0.34 CCC(C)CC(=O)COC Amb25084947 [0,2,0,0,0,0|1,0,0]=3 6131 B9R0.34 CCC(C)CC(=O)CSC Amb18797916 [0,2,0,0,0,0|1,1,0]=4 6132 B9R0.34 CCC(C)CC(=O)N=C=O Amb24524441 [0,2,0,0,0,0|1,0,1]=4 6133 B9R0.34 CCC(C)CC(=O)N=C=S Amb24504806 [0,2,0,0,0,0|1,1,0]=4 6134 B9R0.34 CCC(C)CC(=O)NOC Amb25347805 [0,2,0,0,0,0|1,0,0]=3 6135 B9R0.34 CCC(C)CC(=O)\C=C\Cl Amb24741086 [0,2,0,0,0,0|2,0,0]=4 6136 B9R0.34 CCC(C)NC(=O)COC Amb23247499 [0,2,0,0,0,0|2,0,0]=4 6137 B9R0.34 CCC(C)NC(=O)NOC Amb24482615 [0,2,0,0,0,0|2,0,0]=4 6138 B9R0.34 CCC(C)OC(=O)CON Amb25799708 [0,2,0,0,0,0|2,0,0]=4 6139 B9R0.34 CCC(N)CC(=O)NOC Amb24711012 [0,2,0,0,0,0|2,0,0]=4 6140 B9R0.34 CCC(N)CC(=O)OCC Amb18644203 [0,2,0,0,0,0|2,0,0]=4 6141 B9R0.34 CCC(O)CC(=O)OCC Amb24476858 [0,2,0,0,0,0|2,0,0]=4 6142 B9R0.34 CCCC(=O)CC(C)CC Amb25806879 [0,2,0,0,0,0|2,0,0]=4 6143 B9R0.34 CCCC(=O)CC(C)CN Amb24444411 [0,2,0,0,0,0|2,0,0]=4 6144 B9R0.34 CCCC(=O)N[C@H](C)CO Amb24460959 [0,2,0,0,0,0|2,0,0]=4 6145 B9R0.34 CCCC(Br)CC(=O)OC Amb25278221 [0,2,0,0,0,0|2,0,0]=4 6146 B9R0.34 CCCC(C)CC(=O)C=C Amb24432206 [0,2,0,0,0,0|2,0,0]=4 6147 B9R0.34 CCCC(C)CC(=O)CC Amb25363636 [0,2,0,0,0,0|2,0,0]=4 6148 B9R0.34 CCCC(C)CC(=O)NC Amb24478965 [0,2,0,0,0,0|2,0,0]=4 6149 B9R0.34 CCCC(C)CC(=O)OC Amb25125122 [0,2,0,0,0,0|1,0,0]=3 6150 B9R0.34 CCCC(N)CC(=O)OC Amb22059489 [0,2,0,0,0,0|2,0,0]=4 6151 B9R0.34 CCCC(NC(=O)OC)C Amb16205053 [0,2,0,0,0,0|2,0,0]=4 6152 B9R0.34 CCCC(O)CC(=O)OC Amb21928831 [0,2,0,0,0,0|2,0,0]=4 6153 B9R0.34 CCCN(C)CC(=O)NO Amb24643894 [0,2,0,0,0,0|2,0,0]=4 6154 B9R0.34 CCC[C@H](N)CC(=O)OC Amb25147500 [0,2,0,0,0,0|2,0,0]=4 6155 B9R0.34 CCN(C)CC(=O)COC Amb24413531 [0,2,0,0,0,0|2,0,0]=4 6156 B9R0.34 CCN(C)CC(=O)NOC Amb24722338 [0,2,0,0,0,0|2,0,0]=4 6157 B9R0.34 CCNC(C)CC(=O)C#C Amb25378395 [0,2,0,0,0,0|2,0,0]=4 6158 B9R0.34 CCNC(C)CC(=O)C=C Amb24586663 [0,2,0,0,0,0|2,0,0]=4 6159 B9R0.34 CCNC(C)CC(=O)NN Amb25146440 [0,2,0,0,0,0|2,0,0]=4 6160 B9R0.34 CCNC(C)CC(=O)NO Amb25146433 [0,2,0,0,0,0|1,0,0]=3 6161 B9R0.34 CCOC(=O)CC(=C)CO Amb25056938 [0,2,0,0,0,0|0,0,2]=4 6162 B9R0.34 CCOC(=O)CC(=O)CO Amb25759916 [0,2,0,0,0,0|1,0,1]=4 6163 B9R0.34 CCOC(=O)CC(C)C=O Amb18644116 [0,2,0,0,0,0|0,0,2]=4 6164 B9R0.34 CCOC(=O)CC(C)CN Amb22059484 [0,2,0,0,0,0|1,0,0]=3 6165 B9R0.34 CCOC(=O)CC(C)CO Amb25770626 [0,2,0,0,0,0|0,0,0]=2 6166 B9R0.34 CCOC(=O)CC(C)SC Amb18798150 [0,2,0,0,0,0|2,0,0]=4 6167 B9R0.34 CCOC(=O)CC(CC)C Amb10807395 [0,2,0,0,0,0|1,0,0]=3 6168 B9R0.34 CCOC(=O)CC(CCl)O Amb17594152 [0,2,0,0,0,0|2,0,0]=4 6169 B9R0.34 CCOC(=O)CC(Cl)CCl Amb25111029 [0,2,0,0,0,0|2,0,0]=4 6170 B9R0.34 CCOC(=O)CC(Cl)CO Amb25241335 [0,2,0,0,0,0|1,0,0]=3 6171 B9R0.34 CCOC(=O)CC(F)CI Amb22738582 [0,2,0,0,0,0|2,0,0]=4 6172 B9R0.34 CCOC(=O)CC(N)CN Amb24681015 [0,2,0,0,0,0|2,0,0]=4 6173 B9R0.34 CCOC(=O)CC(N)CO Amb24477090 [0,2,0,0,0,0|1,0,0]=3 6174 B9R0.34 CCOC(=O)CC(O)CBr Amb22733258 [0,2,0,0,0,0|2,0,0]=4 6175 B9R0.34 CCOC(=O)CC(O)CI Amb22736620 [0,2,0,0,0,0|2,0,0]=4 6176 B9R0.34 CCOC(=O)CC(O)CN Amb25095715 [0,2,0,0,0,0|2,0,0]=4 6177 B9R0.34 CCOC(=O)CC(O)CO Amb25199318 [0,2,0,0,0,0|1,0,0]=3 6178 B9R0.34 CCOC(=O)C[C@@H](C)C=O Amb25780070 [0,2,0,0,0,0|0,0,2]=4 6179 B9R0.34 CCOC(=O)C[C@@H](O)CN Amb25224575 [0,2,0,0,0,0|2,0,0]=4 6180 B9R0.34 CCOC(=O)C[C@H](C)CBr Amb24477273 [0,2,0,0,0,0|1,0,0]=3 6181 B9R0.34 CCOC(=O)C[C@H](N)CO Amb24334216 [0,2,0,0,0,0|1,0,0]=3 6182 B9R0.34 CCOC(=O)NC(C)CC Amb17858944 [0,2,0,0,0,0|2,0,0]=4 6183 B9R0.34 CCOC(=O)NC(C)CF Amb24397855 [0,2,0,0,0,0|2,0,0]=4 6184 B9R0.34 CCOC(=O)N[C@@H](C)CO Amb25836094 [0,2,0,0,0,0|1,0,0]=3 6185 B9R0.34 CCOC(=O)N[C@H](C)CN Amb25340808 [0,2,0,0,0,0|2,0,0]=4 6186 B9R0.34 CCOC(=O)N[C@H](C)CO Amb24763624 [0,2,0,0,0,0|1,0,0]=3 6187 B9R0.34 CCOC(=O)OC(C)CBr Amb24361312 [0,2,0,0,0,0|2,0,0]=4 6188 B9R0.34 CCOC(=O)O[C@H](C)CO Amb24625151 [0,2,0,0,0,0|1,0,0]=3 6189 B9R0.34 CCO[C@@H](O)CC(=O)CO Amb25129047 [0,2,0,0,0,0|2,0,0]=4 6190 B9R0.34 CCSC(C)CC(=O)NN Amb24411866 [0,2,0,0,0,0|2,0,0]=4 6191 B9R0.34 CCSC(C)CC(N)=NO Amb18792444 [0,2,0,0,0,0|2,0,0]=4 6192 B9R0.34 CC[C@@H](N)CC(=O)OCC Amb24351614 [0,2,0,0,0,0|2,0,0]=4 6193 B9R0.34 CC[C@@H](O)CC(=O)OCC Amb20241603 [0,2,0,0,0,0|2,0,0]=4 6194 B9R0.34 CC[C@H](C)CC(=O)\C=C\Cl Amb24482164 [0,2,0,0,0,0|2,0,0]=4 6195 B9R0.34 CC\C=C(\C)/C[C@H](C)CO Amb24684551 [0,2,0,0,0,0|2,0,0]=4 6196 B9R0.34 CN(CCO)CC(=O)NN Amb24477910 [0,2,0,0,0,0|2,0,0]=4 6197 B9R0.34 CN(CCO)CC(N)=NO Amb25683823 [0,2,0,0,0,0|2,0,0]=4 6198 B9R0.34 CNC(=O)CC(C)NCC Amb18314891 [0,2,0,0,0,0|2,0,0]=4 6199 B9R0.34 CNC(=O)CN(C)CCO Amb24502264 [0,2,0,0,0,0|2,0,0]=4 6200 B9R0.34 CNC(=O)NC(C)CCO Amb25853732 [0,2,0,0,0,0|2,0,0]=4 6201 B9R0.34 CNC(=O)NC(C)COC Amb25788874 [0,2,0,0,0,0|2,0,0]=4 6202 B9R0.34 CNC(=O)N[C@H](C)CCO Amb25318045 [0,2,0,0,0,0|2,0,0]=4 6203 B9R0.34 CNCC(=O)N[C@@H](C)CO Amb24465584 [0,2,0,0,0,0|2,0,0]=4 6204 B9R0.34 CNCC(=O)N[C@H](C)CO Amb24465443 [0,2,0,0,0,0|2,0,0]=4 6205 B9R0.34 COC(=O)CC(=O)CCO Amb25833665 [0,2,0,0,0,0|1,0,1]=4 6206 B9R0.34 COC(=O)CC(C)CC=O Amb18644136 [0,2,0,0,0,0|0,0,1]=3 6207 B9R0.34 COC(=O)CC(C)CCBr Amb24477385 [0,2,0,0,0,0|1,0,0]=3 6208 B9R0.34 COC(=O)CC(C)CCN Amb24546678 [0,2,0,0,0,0|1,0,0]=3 6209 B9R0.34 COC(=O)CC(C)N=[N+]=[N-] Amb25325715 [0,2,0,0,0,0|2,0,0]=4 6210 B9R0.34 COC(=O)CC(N)CC=C Amb25799423 [0,2,0,0,0,0|2,0,0]=4 6211 B9R0.34 COC(=O)CC(O)CC#C Amb25136248 [0,2,0,0,0,0|2,0,0]=4 6212 B9R0.34 COC(=O)CC(O)CC#N Amb24391893 [0,2,0,0,0,0|2,0,0]=4 6213 B9R0.34 COC(=O)CC(O)CCBr Amb25760946 [0,2,0,0,0,0|2,0,0]=4 6214 B9R0.34 COC(=O)CC(O)CSC Amb24412887 [0,2,0,0,0,0|1,1,0]=4 6215 B9R0.34 COC(=O)CN(C)CC#N Amb24478119 [0,2,0,0,0,0|2,0,0]=4 6216 B9R0.34 COC(=O)CN(C)CCI Amb25807165 [0,2,0,0,0,0|2,0,0]=4 6217 B9R0.34 COC(=O)CN(C)CCN Amb22059127 [0,2,0,0,0,0|2,0,0]=4 6218 B9R0.34 COC(=O)C[C@@H](C)CC=O Amb24365488 [0,2,0,0,0,0|0,0,1]=3 6219 B9R0.34 COC(=O)C[C@@H](C)N=[N+]=[N-] Amb24753916 [0,2,0,0,0,0|2,0,0]=4 6220 B9R0.34 COC(=O)C[C@@H](N)CC=C Amb25259760 [0,2,0,0,0,0|2,0,0]=4 6221 B9R0.34 COC(=O)C[C@@H](N)CCO Amb25132686 [0,2,0,0,0,0|1,0,0]=3 6222 B9R0.34 COC(=O)C[C@@H](O)CSC Amb25266160 [0,2,0,0,0,0|1,1,0]=4 6223 B9R0.34 COC(=O)C[C@H](C)CC=O Amb25799016 [0,2,0,0,0,0|0,0,1]=3 6224 B9R0.34 COC(=O)C[C@H](C)CCO Amb24449995 [0,2,0,0,0,0|0,0,0]=2 6225 B9R0.34 COC(=O)C[C@H](N)CC#N Amb24367695 [0,2,0,0,0,0|2,0,0]=4 6226 B9R0.34 COC(=O)C[C@H](N)CC=C Amb25294467 [0,2,0,0,0,0|2,0,0]=4 6227 B9R0.34 COC(=O)C[C@H](N)CCO Amb25776064 [0,2,0,0,0,0|1,0,0]=3 6228 B9R0.34 COC(=O)C[C@H](O)CC#C Amb24457417 [0,2,0,0,0,0|2,0,0]=4 6229 B9R0.34 COC(=O)C[C@H](O)CC=C Amb24672394 [0,2,0,0,0,0|2,0,0]=4 6230 B9R0.34 COC(=O)NC(C)CC#C Amb24480802 [0,2,0,0,0,0|2,0,0]=4 6231 B9R0.34 COC(=O)NC(C)CC=C Amb25790033 [0,2,0,0,0,0|2,0,0]=4 6232 B9R0.34 COC(=O)NC(C)CCO Amb24479314 [0,2,0,0,0,0|1,0,0]=3 6233 B9R0.34 COC(=O)NC(C)OCC Amb25068640 [0,2,0,0,0,0|2,0,0]=4 6234 B9R0.34 COC(=O)N[C@@H](C)CCO Amb24676467 [0,2,0,0,0,0|1,0,0]=3 6235 B9R0.34 COC(=O)N[C@H](C)COC Amb25686727 [0,2,0,0,0,0|1,0,0]=3 6236 B9R0.34 COC(=O)OC(C)CCCl Amb25724505 [0,2,0,0,0,0|2,0,0]=4 6237 B9R0.34 COCC(=O)CC(C)C=C Amb24422782 [0,2,0,0,0,0|1,0,1]=4 6238 B9R0.34 COCC(=O)CC(C)CO Amb24529163 [0,2,0,0,0,0|0,0,0]=2 6239 B9R0.34 COCC(=O)NC(C)CF Amb25769134 [0,2,0,0,0,0|2,0,0]=4 6240 B9R0.34 COCC(=O)NC(C)CO Amb24478046 [0,2,0,0,0,0|1,0,0]=3 6241 B9R0.34 COCC(=O)N[C@@H](C)CN Amb24483982 [0,2,0,0,0,0|2,0,0]=4 6242 B9R0.34 COCC(=O)OC(C)CC Amb20620616 [0,2,0,0,0,0|2,0,0]=4 6243 B9R0.34 COCC(C)CC(=O)C#C Amb25686303 [0,2,0,0,0,0|1,0,0]=3 6244 B9R0.34 COCC(C)CC(N)=NN Amb25115378 [0,2,0,0,0,0|2,0,0]=4 6245 B9R0.34 COCC(C)NC(N)=NO Amb24651537 [0,2,0,0,0,0|2,0,0]=4 6246 B9R0.34 COCC(C)OC(=O)CBr Amb18602730 [0,2,0,0,0,0|2,0,0]=4 6247 B9R0.34 COCC(C)OC(=O)CC Amb22167298 [0,2,0,0,0,0|2,0,0]=4 6248 B9R0.34 COCC(C)OC(=O)CN Amb18114762 [0,2,0,0,0,0|2,0,0]=4 6249 B9R0.34 COCC(C)OC(=O)CO Amb24632862 [0,2,0,0,0,0|1,0,0]=3 6250 B9R0.34 COCC(C)OC(=O)CS Amb24700867 [0,2,0,0,0,0|1,1,0]=4 6251 B9R0.34 COCC(N)CC(=O)OC Amb24393406 [0,2,0,0,0,0|1,0,0]=3 6252 B9R0.34 COCS(=O)CC(C)CN Amb25081134 [0,2,0,0,0,0|2,0,0]=4 6253 B9R0.34 COC[C@@H](C)NC(=O)CO Amb24482690 [0,2,0,0,0,0|1,0,0]=3 6254 B9R0.34 COC[C@@H](N)CC(=O)OC Amb25118860 [0,2,0,0,0,0|1,0,0]=3 6255 B9R0.34 COC[C@H](N)CC(=O)OC Amb24518573 [0,2,0,0,0,0|1,0,0]=3 6256 B9R0.34 CONC(=O)NC(C)CO Amb25855681 [0,2,0,0,0,0|1,0,0]=3 6257 B9R0.34 CONC(=O)N[C@@H](C)CF Amb24715819 [0,2,0,0,0,0|2,0,0]=4 6258 B9R0.34 CSCC(=O)N[C@@H](C)CO Amb24447454 [0,2,0,0,0,0|1,1,0]=4 6259 B9R0.34 CSCC(=O)N[C@H](C)CO Amb25802224 [0,2,0,0,0,0|1,1,0]=4 6260 B9R0.34 C[C@@H](CCO)NC(=O)C#C Amb24459019 [0,2,0,0,0,0|2,0,0]=4 6261 B9R0.34 C[C@@H](CO)NC(=O)CC#C Amb24691088 [0,2,0,0,0,0|2,0,0]=4 6262 B9R0.34 C[C@@H](CO)NC(=O)CC#N Amb25027974 [0,2,0,0,0,0|2,0,0]=4 6263 B9R0.34 C[C@@H](CO)NC(=O)CCN Amb25135557 [0,2,0,0,0,0|2,0,0]=4 6264 B9R0.34 C[C@H](CCO)C[C@@H](C)C=O Amb24686545 [0,2,0,0,0,0|1,0,1]=4 6265 B9R0.34 C[C@H](CCO)C[C@@H](C)CO Amb24397963 [0,2,0,0,0,0|1,0,1]=4 6266 B9R0.34 C[C@H](CO)NC(=O)C#CBr Amb25120788 [0,2,0,0,0,0|2,0,0]=4 6267 B9R0.34 C[C@H](CO)NC(=O)CCCl Amb24706013 [0,2,0,0,0,0|2,0,0]=4 6268 B9R0.34 C[C@H](CO)NC(=O)CCN Amb24481115 [0,2,0,0,0,0|2,0,0]=4 6269 B9R0.34 C\C=C\C(=O)CC(C)CO Amb24691750 [0,2,0,0,0,0|1,0,0]=3 6270 B9R0.34 C\C=C\C(=O)OC(C)CO Amb24406254 [0,2,0,0,0,0|2,0,0]=4 6271 B9R0.34 OCCC(=O)NC(CC)C Amb17334240 [0,2,0,0,0,0|2,0,0]=4 6272 B9R0.34 OC[C@@H](O)C[C@H](O)CC=O Amb24563733 [0,2,0,0,0,0|1,0,1]=4 6273 B9R0.44 CC(CCO)CP(C)(C)=O Amb25763876 [0,2,0,0,0,0|2,0,0]=4 6274 B9R0.44 CC(CCO)OP(O)(O)=O Amb25676634 [0,2,0,0,0,0|2,0,0]=4 6275 B9R0.44 CN(CCO)CP(O)(O)=O Amb24557213 [0,2,0,0,0,0|2,0,0]=4 6276 B9R0.44 ONCC(O)CP(O)(O)=O Amb25682651 [0,2,0,0,0,0|2,0,0]=4 6277 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [0,2,0,0,0,0|0,0,2]=4 6278 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [0,2,0,0,0,0|1,0,0]=3 6279 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [0,2,0,0,0,0|0,0,1]=3 6280 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [0,2,0,0,0,0|0,0,1]=3 6281 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [0,2,0,0,0,0|0,0,2]=4 6282 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [0,2,0,0,0,0|0,0,2]=4 6283 B9R0.53 CC(C)=CC(C)CC(O)=O Amb24480766 [0,2,0,0,0,0|1,0,1]=4 6284 B9R0.53 CC(C)CC(C)CC(C)=O Amb20621119 [0,2,0,0,0,0|2,0,0]=4 6285 B9R0.53 CC(C)C[C@@H](C)CC(C)=O Amb24480437 [0,2,0,0,0,0|2,0,0]=4 6286 B9R0.53 CC(C)C[C@@H](C)CC(O)=O Amb24455134 [0,2,0,0,0,0|1,0,0]=3 6287 B9R0.53 CC(C)C[C@H](C)CC(C)=O Amb25707831 [0,2,0,0,0,0|2,0,0]=4 6288 B9R0.53 CC(C)C[C@H](N)CC(O)=O Amb19944305 [0,2,0,0,0,0|2,0,0]=4 6289 B9R0.53 CC(C)C[C@H](O)CC(O)=O Amb24505145 [0,2,0,0,0,0|2,0,0]=4 6290 B9R0.53 CC(C)O[C@H](C)CC(O)=O Amb24463494 [0,2,0,0,0,0|1,0,0]=3 6291 B9R0.53 CC(C)SC(C)CC(C)=O Amb25126446 [0,2,0,0,0,0|2,0,0]=4 6292 B9R0.53 CC(C)SC(C)CC(O)=O Amb18303284 [0,2,0,0,0,0|1,0,0]=3 6293 B9R0.53 CC(CC(=O)N)NC(C)C Amb17231987 [0,2,0,0,0,0|2,0,0]=4 6294 B9R0.53 CC(CC(C)O)NC(C)=O Amb25211368 [0,2,0,0,0,0|2,0,0]=4 6295 B9R0.53 CC(CC(CC(=O)O)N)C Amb2438867 [0,2,0,0,0,0|2,0,0]=4 6296 B9R0.53 CC(CC(CC(=O)O)O)C Amb17232005 [0,2,0,0,0,0|2,0,0]=4 6297 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [0,2,0,0,0,0|0,0,2]=4 6298 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [0,2,0,0,0,0|0,0,1]=3 6299 B9R0.53 CC(CC(O)=O)C[N+]([O-])=O Amb25142280 [0,2,0,0,0,0|0,0,1]=3 6300 B9R0.53 CC(CC(O)=O)NC(N)=N Amb25696242 [0,2,0,0,0,0|1,0,1]=4 6301 B9R0.53 CC(CC(O)=O)NS(C)=O Amb25347318 [0,2,0,0,0,0|1,0,1]=4 6302 B9R0.53 CC(CC(O)=O)OC(F)F Amb24536176 [0,2,0,0,0,0|1,0,0]=3 6303 B9R0.53 CC(CC(O)=O)SC(N)=N Amb24429158 [0,2,0,0,0,0|1,0,1]=4 6304 B9R0.53 CC(CC(O)=O)SC(N)=S Amb24391550 [0,2,0,0,0,0|0,1,1]=4 6305 B9R0.53 CC(C[C@@H](CC(=O)O)C)C Amb10844383 [0,2,0,0,0,0|1,0,0]=3 6306 B9R0.53 CC(C[C@@H](CC(=O)O)N)C Amb16184017 [0,2,0,0,0,0|2,0,0]=4 6307 B9R0.53 CC(N)CN(C)CC(O)=O Amb25140627 [0,2,0,0,0,0|2,0,0]=4 6308 B9R0.53 CC(O)CN(C)CC(C)=O Amb24441836 [0,2,0,0,0,0|2,0,0]=4 6309 B9R0.53 CC(O)CN(C)CC(O)=O Amb18312778 [0,2,0,0,0,0|1,0,0]=3 6310 B9R0.53 CN(C)CC(N)CC(O)=O Amb18644281 [0,2,0,0,0,0|2,0,0]=4 6311 B9R0.53 CN(C)C[C@@H](O)CC(O)=O Amb25084529 [0,2,0,0,0,0|2,0,0]=4 6312 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,2,0,0,0,0|1,0,0]=3 6313 B9R0.53 CN(CC(F)F)CC(O)=O Amb18177927 [0,2,0,0,0,0|2,0,0]=4 6314 B9R0.53 CN(CC(O)=O)CC(=C)Br Amb19015553 [0,2,0,0,0,0|2,0,0]=4 6315 B9R0.53 CN(C[C@@H](CC(=O)O)O)C Amb10069803 [0,2,0,0,0,0|2,0,0]=4 6316 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [0,2,0,0,0,0|1,0,0]=3 6317 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [0,2,0,0,0,0|1,0,1]=4 6318 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [0,2,0,0,0,0|1,0,1]=4 6319 B9R0.53 C[C@@H](C[C@@H](C)O)OC(C)=O Amb25722158 [0,2,0,0,0,0|2,0,0]=4 6320 B9R0.53 C[C@H](C[C@@H](C)O)NC(C)=O Amb24597644 [0,2,0,0,0,0|2,0,0]=4 6321 B9R0.53 C[C@H](C[C@@H](C)O)OC(C)=O Amb24386965 [0,2,0,0,0,0|2,0,0]=4 6322 B9R0.53 C[C@H](C[C@H](C)O)OC(C)=O Amb24474272 [0,2,0,0,0,0|2,0,0]=4 6323 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O Amb24418565 [0,2,0,0,0,0|2,0,0]=4 6324 B9R0.53 C\C(\CC(C)=O)=N/C(C)O Amb25730154 [0,2,0,0,0,0|1,0,1]=4 6325 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [0,2,0,0,0,0|1,0,1]=4 6326 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [0,2,0,0,0,0|1,0,1]=4 6327 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,2,0,0,0,0|1,0,0]=3 6328 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [0,2,0,0,0,0|1,0,0]=3 6329 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [0,2,0,0,0,0|2,0,0]=4 6330 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [0,2,0,0,0,0|2,0,0]=4 6331 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [0,2,0,0,0,0|0,0,2]=4 6332 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [0,2,0,0,0,0|0,0,2]=4 6333 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [0,2,0,0,0,0|1,0,0]=3 6334 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [0,2,0,0,0,0|2,0,0]=4 6335 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [0,2,0,0,0,0|2,0,0]=4 6336 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [0,2,0,0,0,0|2,0,0]=4 6337 B9R0.58 C#CCC(CC(=O)C)(C)C Amb17593505 [0,2,0,0,0,0|2,0,0]=4 6338 B9R0.58 CC#CC(C)(C)CC(O)=O Amb24568886 [0,2,0,0,0,0|1,0,1]=4 6339 B9R0.58 CC(=C)CC(C)(C)CCO Amb25318561 [0,2,0,0,0,0|2,0,0]=4 6340 B9R0.58 CC(=O)CC(C)(C)CC=C Amb24475264 [0,2,0,0,0,0|2,0,0]=4 6341 B9R0.58 CC(=O)CC(C)(C)CC=O Amb18643928 [0,2,0,0,0,0|1,0,1]=4 6342 B9R0.58 CC(=O)CC(C)(O)CC#N Amb25319900 [0,2,0,0,0,0|2,0,0]=4 6343 B9R0.58 CC(=O)CC(C)(O)CC=C Amb24712053 [0,2,0,0,0,0|2,0,0]=4 6344 B9R0.58 CC(=O)C[C@@](C)(O)CC=C Amb24633653 [0,2,0,0,0,0|2,0,0]=4 6345 B9R0.58 CC(=O)OC(C)(C)CCO Amb25796231 [0,2,0,0,0,0|2,0,0]=4 6346 B9R0.58 CC(C)(CC#N)CC(O)=O Amb25239942 [0,2,0,0,0,0|1,0,0]=3 6347 B9R0.58 CC(C)(CC(O)=O)N=C=O Amb25840671 [0,2,0,0,0,0|0,0,2]=4 6348 B9R0.58 CC(C)(CC=C)CC(O)=O Amb18643902 [0,2,0,0,0,0|1,0,0]=3 6349 B9R0.58 CC(C)(CC=O)CC(O)=O Amb18644096 [0,2,0,0,0,0|0,0,1]=3 6350 B9R0.58 CC(C)(CCCl)CC(O)=O Amb18646188 [0,2,0,0,0,0|1,0,0]=3 6351 B9R0.58 CC(C)(CCN)CC(O)=O Amb24637226 [0,2,0,0,0,0|1,0,0]=3 6352 B9R0.58 CC(C)(CCO)CC(O)=O Amb24682986 [0,2,0,0,0,0|0,0,0]=2 6353 B9R0.58 CC(O)(CC#N)CC(N)=O Amb18643863 [0,2,0,0,0,0|2,0,0]=4 6354 B9R0.58 CC(O)(CC=C)CC(O)=O Amb18644103 [0,2,0,0,0,0|1,0,0]=3 6355 B9R0.58 CC(O)(CC=O)CC(O)=O Amb25770615 [0,2,0,0,0,0|0,0,1]=3 6356 B9R0.58 CC(O)(CCO)CC(O)=O Amb18644354 [0,2,0,0,0,0|0,0,0]=2 6357 B9R0.58 CCCC(C)(C)CC(C)=O Amb24413025 [0,2,0,0,0,0|2,0,0]=4 6358 B9R0.58 CCCC(C)(C)CC(N)=O Amb25051244 [0,2,0,0,0,0|2,0,0]=4 6359 B9R0.58 CCCC(C)(C)CC(O)=O Amb22229019 [0,2,0,0,0,0|1,0,0]=3 6360 B9R0.58 CCCC(C)(O)CC(O)=O Amb18310709 [0,2,0,0,0,0|1,0,0]=3 6361 B9R0.58 CCCC(F)(F)CC(O)=O Amb24482478 [0,2,0,0,0,0|2,0,0]=4 6362 B9R0.58 CCNC(C)(C)CC(C)=O Amb25147479 [0,2,0,0,0,0|2,0,0]=4 6363 B9R0.58 CCOP(C)(=O)CC(O)=O Amb25374552 [0,2,0,0,0,0|2,0,0]=4 6364 B9R0.58 CCSC(C)(C)CC(C)=O Amb24456707 [0,2,0,0,0,0|2,0,0]=4 6365 B9R0.58 CNCC(C)(C)CC(O)=O Amb24116872 [0,2,0,0,0,0|1,0,0]=3 6366 B9R0.58 COCC(C)(C)CC(O)=O Amb24116871 [0,2,0,0,0,0|0,0,0]=2 6367 B9R0.58 C[C@@](O)(CCO)CC(O)=O Amb21856037 [0,2,0,0,0,0|0,0,0]=2 6368 B9R0.58 C[C@](N)(CC=C)CC(O)=O Amb24504958 [0,2,0,0,0,0|1,0,0]=3 6369 B9R0.58 C[N+](C)(CCO)CC([O-])=O Amb24390421 [0,2,0,0,0,0|1,0,1]=4 6370 B9R0.58 C\C=C\[C@](C)(O)CC(O)=O Amb25084485 [0,2,0,0,0,0|1,0,1]=4 6371 B9R0.58 NOCC(NC(=O)C)(C)C Amb17138411 [0,2,0,0,0,0|2,0,0]=4 6372 B9R0.58 OCCS(=O)(=O)CC(=O)O Amb17502670 [0,2,0,0,0,0|2,0,0]=4 6373 B9R0.26 C=CC(=C)CC(CO)CO Amb25058542 [0,2,0,0,0,0|2,0,0]=4 6374 B9R0.26 CC(CC(CC)=NO)CC Amb24556233 [0,2,0,0,0,0|2,0,0]=4 6375 B9R0.26 CC(CC(CN)CO)OC Amb24402678 [0,2,0,0,0,0|1,0,1]=4 6376 B9R0.26 CCC(=O)OC(CO)CCl Amb25705709 [0,2,0,0,0,0|2,0,0]=4 6377 B9R0.26 CCC(=O)OC(CO)CO Amb25740663 [0,2,0,0,0,0|2,0,0]=4 6378 B9R0.26 CCC(CC(=O)CN)CC Amb24351344 [0,2,0,0,0,0|2,0,0]=4 6379 B9R0.26 CCC(CC(=O)NN)CN Amb25299102 [0,2,0,0,0,0|2,0,0]=4 6380 B9R0.26 CCC(CC(=O)NO)CC Amb24362522 [0,2,0,0,0,0|1,0,0]=3 6381 B9R0.26 CCC(CC(=O)NO)SC Amb25080774 [0,2,0,0,0,0|1,0,0]=3 6382 B9R0.26 CCC(CC(=O)OC)C=O Amb18644131 [0,2,0,0,0,0|0,0,2]=4 6383 B9R0.26 CCC(CC(=O)OC)SC Amb25787832 [0,2,0,0,0,0|1,0,0]=3 6384 B9R0.26 CCC(CC(O)C=O)CC Amb24737351 [0,2,0,0,0,0|1,0,1]=4 6385 B9R0.26 CCC(CC(O)CC)CO Amb24614905 [0,2,0,0,0,0|1,0,1]=4 6386 B9R0.26 CCC(CC)NC(=O)CO Amb24478047 [0,2,0,0,0,0|2,0,0]=4 6387 B9R0.26 CCC(CO)NC(=O)CO Amb24377617 [0,2,0,0,0,0|1,0,0]=3 6388 B9R0.26 CCC(CO)OC(=O)CCl Amb24674207 [0,2,0,0,0,0|2,0,0]=4 6389 B9R0.26 CCC(CO)\C=C(\C)/C=O Amb24735030 [0,2,0,0,0,0|1,0,1]=4 6390 B9R0.26 CCC(C\C(\N)=N\O)SC Amb18792445 [0,2,0,0,0,0|2,0,0]=4 6391 B9R0.26 CCC(NC(=O)CBr)CO Amb17329184 [0,2,0,0,0,0|2,0,0]=4 6392 B9R0.26 CCC(NC(=O)CCl)CO Amb17325439 [0,2,0,0,0,0|2,0,0]=4 6393 B9R0.26 CCC(NC(=O)OC)OC Amb25694298 [0,2,0,0,0,0|2,0,0]=4 6394 B9R0.26 CCN(CC(=O)NO)CC Amb24073451 [0,2,0,0,0,0|2,0,0]=4 6395 B9R0.26 CC[C@@H](CO)NC(=O)C#C Amb25044440 [0,2,0,0,0,0|2,0,0]=4 6396 B9R0.26 CC[C@@H](CO)NC(=O)C=C Amb25350303 [0,2,0,0,0,0|2,0,0]=4 6397 B9R0.26 CC[C@@H](CO)NC(=O)CBr Amb24463211 [0,2,0,0,0,0|2,0,0]=4 6398 B9R0.26 CC[C@@H](CO)NC(=O)CN Amb24718723 [0,2,0,0,0,0|2,0,0]=4 6399 B9R0.26 CC[C@@H](CO)NC(=O)CO Amb24524473 [0,2,0,0,0,0|1,0,0]=3 6400 B9R0.26 CC[C@@H](CO)NC(=O)OC Amb25090263 [0,2,0,0,0,0|1,0,0]=3 6401 B9R0.26 CC[C@H](CO)NC(=O)CCl Amb24447032 [0,2,0,0,0,0|2,0,0]=4 6402 B9R0.26 CC[C@H](C[C@@H](O)CC)CO Amb25058571 [0,2,0,0,0,0|1,0,1]=4 6403 B9R0.26 CC[C@H](C[C@H](O)CC)CO Amb25852919 [0,2,0,0,0,0|1,0,1]=4 6404 B9R0.26 CNC(=O)CC(CN)NC Amb25357849 [0,2,0,0,0,0|2,0,0]=4 6405 B9R0.26 CNC(=O)CC(CN)OC Amb25047215 [0,2,0,0,0,0|2,0,0]=4 6406 B9R0.26 CNC(=O)NC(CO)CO Amb24509132 [0,2,0,0,0,0|2,0,0]=4 6407 B9R0.26 CNC(CO)CC(=O)OC Amb25352354 [0,2,0,0,0,0|0,0,0]=2 6408 B9R0.26 COC(=O)CC(C=O)OC Amb18644250 [0,2,0,0,0,0|0,0,2]=4 6409 B9R0.26 COC(=O)CC(CC)CC Amb25028016 [0,2,0,0,0,0|1,0,0]=3 6410 B9R0.26 COC(=O)CC(CCl)SC Amb24711347 [0,2,0,0,0,0|1,0,0]=3 6411 B9R0.26 COC(=O)CC(CF)CBr Amb24477175 [0,2,0,0,0,0|1,0,0]=3 6412 B9R0.26 COC(=O)CC(CN)OC Amb25742371 [0,2,0,0,0,0|1,0,0]=3 6413 B9R0.26 COC(=O)CC(CO)OC Amb24648310 [0,2,0,0,0,0|0,0,0]=2 6414 B9R0.26 COC(=O)CN(CCl)CCl Amb24358030 [0,2,0,0,0,0|2,0,0]=4 6415 B9R0.26 COC(=O)C[C@@H](C=O)OC Amb25093838 [0,2,0,0,0,0|0,0,2]=4 6416 B9R0.26 COC(=O)C[C@H](CF)CBr Amb24477161 [0,2,0,0,0,0|1,0,0]=3 6417 B9R0.26 COC(=O)NC(CF)OC Amb24478311 [0,2,0,0,0,0|2,0,0]=4 6418 B9R0.26 COC(=O)NC(CO)CO Amb25739290 [0,2,0,0,0,0|1,0,0]=3 6419 B9R0.26 COC(CC(=O)NN)CN Amb24638624 [0,2,0,0,0,0|2,0,0]=4 6420 B9R0.26 NCC(=O)NC(CO)CO Amb24703544 [0,2,0,0,0,0|2,0,0]=4 6421 B9R0.26 ONC(=O)OC(CCl)CCl Amb24477080 [0,2,0,0,0,0|2,0,0]=4 6422 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [0,2,0,0,0,0|0,0,2]=4 6423 B9R0.39 CC(=O)C(CC(O)=O)CC Amb24410015 [0,2,0,0,0,0|1,0,0]=3 6424 B9R0.39 CC(=O)C(CC(O)=O)NC Amb18611382 [0,2,0,0,0,0|0,0,2]=4 6425 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [0,2,0,0,0,0|1,0,1]=4 6426 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [0,2,0,0,0,0|1,0,1]=4 6427 B9R0.39 CC(C)C(CC(C)=O)CC Amb25041005 [0,2,0,0,0,0|2,0,0]=4 6428 B9R0.39 CC(C)C(CC(C)=O)OC Amb24478344 [0,2,0,0,0,0|2,0,0]=4 6429 B9R0.39 CC(C)C(CC(C)O)CO Amb25051409 [0,2,0,0,0,0|1,0,1]=4 6430 B9R0.39 CC(C)C(CC(N)=O)CN Amb25177753 [0,2,0,0,0,0|2,0,0]=4 6431 B9R0.39 CC(C)C(CC(N)=O)NC Amb25738895 [0,2,0,0,0,0|2,0,0]=4 6432 B9R0.39 CC(C)C(CC(O)=O)C#N Amb25818234 [0,2,0,0,0,0|1,0,1]=4 6433 B9R0.39 CC(C)C(CC(O)=O)C=C Amb18643903 [0,2,0,0,0,0|1,0,1]=4 6434 B9R0.39 CC(C)C(CC(O)=O)CC Amb18304202 [0,2,0,0,0,0|1,0,0]=3 6435 B9R0.39 CC(C)C(CC(O)=O)SC Amb25858344 [0,2,0,0,0,0|1,0,0]=3 6436 B9R0.39 CC(C)C(CO)NC(N)=O Amb24479041 [0,2,0,0,0,0|2,0,0]=4 6437 B9R0.39 CC(C)[C@@H](CC(C)=O)CC Amb24758695 [0,2,0,0,0,0|2,0,0]=4 6438 B9R0.39 CC(N)C(CC(O)=O)CC Amb23536772 [0,2,0,0,0,0|1,0,0]=3 6439 B9R0.39 CC(O)C(CC(O)=O)CC Amb18831453 [0,2,0,0,0,0|0,0,0]=2 6440 B9R0.39 CC(O)C(CC(O)=O)NC Amb24400678 [0,2,0,0,0,0|0,0,0]=2 6441 B9R0.39 CC(O)C(CC)OC(C)=O Amb25769425 [0,2,0,0,0,0|2,0,0]=4 6442 B9R0.39 CC(O)C(CC)OC(N)=O Amb25339455 [0,2,0,0,0,0|2,0,0]=4 6443 B9R0.39 CCC(=CC(O)=O)C(C)O Amb24568884 [0,2,0,0,0,0|0,0,2]=4 6444 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [0,2,0,0,0,0|0,0,1]=3 6445 B9R0.39 CCC(CC(O)=O)N(C)C Amb18316272 [0,2,0,0,0,0|1,0,0]=3 6446 B9R0.39 CCC(CP(O)=O)C(O)=O Amb24482481 [0,2,0,0,0,0|1,0,1]=4 6447 B9R0.39 CCN(C(=O)C)CC(=O)O Amb17399887 [0,2,0,0,0,0|2,0,0]=4 6448 B9R0.39 CCN(CC(O)=O)S(C)=O Amb25177156 [0,2,0,0,0,0|2,0,0]=4 6449 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [0,2,0,0,0,0|0,0,1]=3 6450 B9R0.39 CC\C(=C\C(O)=O)\C(C)O Amb24654751 [0,2,0,0,0,0|0,0,2]=4 6451 B9R0.39 CN(C)C(CC(N)=O)CN Amb25718298 [0,2,0,0,0,0|2,0,0]=4 6452 B9R0.39 CN(C)C(CC(O)=O)CO Amb18202308 [0,2,0,0,0,0|0,0,0]=2 6453 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [0,2,0,0,0,0|0,0,1]=3 6454 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [0,2,0,0,0,0|1,0,1]=4 6455 B9R0.39 CNC(CS(O)=O)C(O)=O Amb25765774 [0,2,0,0,0,0|1,0,1]=4 6456 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [0,2,0,0,0,0|0,0,1]=3 6457 B9R0.39 CN[C@@H](CS(O)=O)C(O)=O Amb24482415 [0,2,0,0,0,0|1,0,1]=4 6458 B9R0.39 COC(CC(O)=O)C(N)=O Amb23536075 [0,2,0,0,0,0|0,0,2]=4 6459 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [0,2,0,0,0,0|0,0,1]=3 6460 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [0,2,0,0,0,0|0,0,1]=3 6461 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [0,2,0,0,0,0|1,0,1]=4 6462 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [0,2,0,0,0,0|0,0,1]=3 6463 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [0,2,0,0,0,0|0,0,1]=3 6464 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [0,2,0,0,0,0|1,0,1]=4 6465 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [0,2,0,0,0,0|0,0,1]=3 6466 B9R0.39 C[C@@H](O)[C@@H](CO)NC(C)=O Amb25232080 [0,2,0,0,0,0|2,0,0]=4 6467 B9R0.39 C[C@@H](O)[C@H](CO)NC(C)=O Amb24479138 [0,2,0,0,0,0|2,0,0]=4 6468 B9R0.39 C[C@H](O)[C@@H](CC(O)=O)NC Amb24460369 [0,2,0,0,0,0|0,0,0]=2 6469 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [0,2,0,0,0,0|0,0,2]=4 6470 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [0,2,0,0,0,0|0,0,2]=4 6471 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [0,2,0,0,0,0|0,0,1]=3 6472 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [0,2,0,0,0,0|0,0,1]=3 6473 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [0,2,0,0,0,0|0,0,1]=3 6474 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [0,2,0,0,0,0|1,0,1]=4 6475 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [0,2,0,0,0,0|0,0,1]=3 6476 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [0,2,0,0,0,0|0,0,2]=4 6477 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [0,2,0,0,0,0|1,0,1]=4 6478 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [0,2,0,0,0,0|1,0,1]=4 6479 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [0,2,0,0,0,0|0,0,1]=3 6480 B9R0.39 OC(=O)CC(CF)C(F)F Amb24513956 [0,2,0,0,0,0|1,0,0]=3 6481 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [0,2,0,0,0,0|1,0,1]=4 6482 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [0,2,0,0,0,0|1,0,1]=4 6483 B9R0.39 OCC(C(C)C)NC(=O)C Amb17102545 [0,2,0,0,0,0|2,0,0]=4 6484 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [0,2,0,0,0,0|0,0,1]=3 6485 B9R0.52 CCC(CP(O)(O)=O)NC Amb24399323 [0,2,0,0,0,0|2,0,0]=4 6486 B9R0.52 CP(C)(=O)CC(CO)CO Amb25371220 [0,2,0,0,0,0|2,0,0]=4 6487 B9R0.52 NCC(CO)SS(O)(=O)=O Amb25374034 [0,2,0,0,0,0|2,0,0]=4 6488 B9R0.52 OCC(CCl)OS(O)(=O)=O Amb25109194 [0,2,0,0,0,0|2,0,0]=4 6489 B9R0.52 OP(O)(=O)OC(CO)CO Amb22350193 [0,2,0,0,0,0|2,0,0]=4 6490 B9R0.52 OP(O)(=O)OC(CO)CO Amb22352258 [0,2,0,0,0,0|2,0,0]=4 6491 B9R0.52 OP(O)(=O)OC(CO)CO Amb22410811 [0,2,0,0,0,0|2,0,0]=4 6492 B9R0.52 [O-]P(O)(=O)OC(CO)CO Amb22051651 [0,2,0,0,0,0|2,0,0]=4 6493 B9R0.63 CC(CC(N)=S)(CO)CO Amb25120715 [0,2,0,0,0,0|1,1,0]=4 6494 B9R0.63 CC(CC(O)=O)(CC)CC Amb18124690 [0,2,0,0,0,0|1,0,0]=3 6495 B9R0.63 CC(CC(O)=O)(CO)C#N Amb24116881 [0,2,0,0,0,0|0,0,0]=2 6496 B9R0.63 CC(CN)(CC(O)=O)CO Amb22546425 [0,2,0,0,0,0|0,0,0]=2 6497 B9R0.63 CC(CN)(CC(O)=O)CO Amb24116882 [0,2,0,0,0,0|0,0,0]=2 6498 B9R0.63 CC(CO)(CO)NC(N)=O Amb24711011 [0,2,0,0,0,0|2,0,0]=4 6499 B9R0.63 CCC(C)(CC(C)=O)C=O Amb18643895 [0,2,0,0,0,0|2,0,0]=4 6500 B9R0.63 CCC(C)(CC(O)=O)C#N Amb18643707 [0,2,0,0,0,0|1,0,0]=3 6501 B9R0.63 CCC(C)(CO)NC(C)=O Amb25852770 [0,2,0,0,0,0|2,0,0]=4 6502 B9R0.63 CCP(=O)(CC(O)=O)OC Amb25325013 [0,2,0,0,0,0|2,0,0]=4 6503 B9R0.63 CC[P@](=O)(CC(O)=O)OC Amb24442037 [0,2,0,0,0,0|2,0,0]=4 6504 B9R0.63 C[N+](CC(O)=O)(CC)CC Amb25138707 [0,2,0,0,0,0|2,0,0]=4 6505 B9R0.63 C[Si](CC(O)=O)(CC)CC Amb24710101 [0,2,0,0,0,0|1,1,0]=4 6506 B9R0.63 ClCC(CC(=O)C)(CCl)C Amb17594712 [0,2,0,0,0,0|2,0,0]=4 6507 B9R0.63 N#CC(O)(CCl)CC(O)=O Amb24400526 [0,2,0,0,0,0|1,0,1]=4 6508 B9R0.22 BrCC(=O)NC(CO)(C)C Amb17329448 [0,2,0,0,0,0|2,0,0]=4 6509 B9R0.22 CC(C)(CC(=O)NO)C#N Amb25741839 [0,2,0,0,0,0|1,0,1]=4 6510 B9R0.22 CC(C)(CC(=O)OC)OC Amb25707746 [0,2,0,0,0,0|2,0,0]=4 6511 B9R0.22 CC(C)(CC(N)=NO)CN Amb25061546 [0,2,0,0,0,0|2,0,0]=4 6512 B9R0.22 CC(C)(CC(N)=NO)CO Amb25120141 [0,2,0,0,0,0|1,0,0]=3 6513 B9R0.22 CC(C)(CF)NC(=O)CO Amb25801777 [0,2,0,0,0,0|2,0,0]=4 6514 B9R0.22 CC(C)(CO)NC(=O)CN Amb21958864 [0,2,0,0,0,0|2,0,0]=4 6515 B9R0.22 CC(C)(CO)NC(=O)CO Amb24477363 [0,2,0,0,0,0|1,0,0]=3 6516 B9R0.22 CC(CO)CC(C)(C)C=O Amb25765906 [0,2,0,0,0,0|1,0,1]=4 6517 B9R0.22 CC(O)(CC(=O)NO)C=C Amb24439206 [0,2,0,0,0,0|1,0,1]=4 6518 B9R0.22 CC(S)(CC(=O)CC)CC Amb25792933 [0,2,0,0,0,0|2,0,0]=4 6519 B9R0.22 CCC(=O)CC(C)(Cl)CCl Amb24726755 [0,2,0,0,0,0|2,0,0]=4 6520 B9R0.22 CCC(C)(C)CC(=O)CO Amb24621280 [0,2,0,0,0,0|1,0,0]=3 6521 B9R0.22 CCC(C)(C)CC(=O)NC Amb24618648 [0,2,0,0,0,0|2,0,0]=4 6522 B9R0.22 CCC(C)(C)CC(=O)NN Amb24371662 [0,2,0,0,0,0|2,0,0]=4 6523 B9R0.22 CCC(C)(N)CC(=O)OC Amb20623801 [0,2,0,0,0,0|1,0,0]=3 6524 B9R0.22 CCS(=O)(=O)CC(C)CO Amb24459145 [0,2,0,0,0,0|1,0,1]=4 6525 B9R0.22 CNC(C)(C)CC(=O)OC Amb22059498 [0,2,0,0,0,0|2,0,0]=4 6526 B9R0.22 COC(=O)CC(C)(C)C#N Amb25068084 [0,2,0,0,0,0|1,0,1]=4 6527 B9R0.22 COC(=O)CC(C)(C)C=O Amb18644110 [0,2,0,0,0,0|0,0,2]=4 6528 B9R0.22 COC(=O)CC(C)(Cl)C#N Amb25248555 [0,2,0,0,0,0|1,0,1]=4 6529 B9R0.22 COC(=O)CC(C)(N)CO Amb24701097 [0,2,0,0,0,0|0,0,0]=2 6530 B9R0.22 COC(=O)CC(C)(O)C#N Amb24597794 [0,2,0,0,0,0|1,0,1]=4 6531 B9R0.22 COC(=O)CC(C)(O)CCl Amb25340529 [0,2,0,0,0,0|1,0,0]=3 6532 B9R0.22 COC(=O)CC(C)(O)CN Amb25323362 [0,2,0,0,0,0|1,0,0]=3 6533 B9R0.22 COC(=O)CC(CC)(C)C Amb10572826 [0,2,0,0,0,0|1,0,0]=3 6534 B9R0.22 COC(=O)C[C@@](C)(N)CO Amb24504957 [0,2,0,0,0,0|0,0,0]=2 6535 B9R0.22 COC(=O)C[C@@](C)(O)CO Amb25344934 [0,2,0,0,0,0|0,0,0]=2 6536 B9R0.22 COC(=O)C[C@](C)(N)CO Amb24396006 [0,2,0,0,0,0|0,0,0]=2 6537 B9R0.22 COC(=O)NC(C)(C)CF Amb24388007 [0,2,0,0,0,0|2,0,0]=4 6538 B9R0.22 COC(=O)NC(C)(C)CN Amb18251296 [0,2,0,0,0,0|2,0,0]=4 6539 B9R0.22 COC(C)(C)CC(=O)NO Amb24481043 [0,2,0,0,0,0|2,0,0]=4 6540 B9R0.22 COC(C)CC(C)(C)CO Amb24358868 [0,2,0,0,0,0|1,0,1]=4 6541 B9R0.22 COC(C)CC(C)(N)CO Amb25307782 [0,2,0,0,0,0|1,0,1]=4 6542 B9R0.22 COS(=O)(=O)CC(O)CO Amb24117266 [0,2,0,0,0,0|2,0,0]=4 6543 B9R0.22 C\C=C(\C)/CC(C)(C)CO Amb25135304 [0,2,0,0,0,0|2,0,0]=4 6544 B9R0.22 ClCC(=O)NC(CO)(C)C Amb17600153 [0,2,0,0,0,0|2,0,0]=4 6545 B9R0.22 OCC(CS(=O)(=O)NC)C Amb17400238 [0,2,0,0,0,0|1,0,1]=4 6546 B9R0.10 CC(C)(C)C(Br)CC(O)=O Amb25075478 [0,2,0,0,0,0|2,0,0]=4 6547 B9R0.10 CC(C)(C)C(F)CC(O)=O Amb25282886 [0,2,0,0,0,0|2,0,0]=4 6548 B9R0.10 CC(C)(C)[C@@H](N)CC(O)=O Amb19888358 [0,2,0,0,0,0|2,0,0]=4 6549 B9R0.10 CC(C)(C)[C@@H](O)CC(O)=O Amb24505172 [0,2,0,0,0,0|2,0,0]=4 6550 B9R0.10 CC(C)(C)[C@H](N)CC(O)=O Amb19887644 [0,2,0,0,0,0|2,0,0]=4 6551 B9R0.10 CC(C)(O)C(O)CC(O)=O Amb25808868 [0,2,0,0,0,0|1,0,0]=3 6552 B9R0.10 CC(CC(=O)Cl)C(F)(F)F Amb24471535 [0,2,0,0,0,0|2,0,0]=4 6553 B9R0.10 CC(CC(O)=O)C(C)(C)N Amb19651352 [0,2,0,0,0,0|1,0,0]=3 6554 B9R0.10 CC(CC(O)=O)C(C)(C)N Amb21961488 [0,2,0,0,0,0|1,0,0]=3 6555 B9R0.10 CC(CC(O)=O)C(C)(F)F Amb25241872 [0,2,0,0,0,0|1,0,0]=3 6556 B9R0.10 CC(CC(O)=O)P(C)(O)=O Amb25059136 [0,2,0,0,0,0|1,0,0]=3 6557 B9R0.10 CC(CC(O)=O)S(C)(=O)=O Amb18971621 [0,2,0,0,0,0|1,0,1]=4 6558 B9R0.10 CC(NC(N)=O)C(C)(C)O Amb25120603 [0,2,0,0,0,0|2,0,0]=4 6559 B9R0.10 CN(C(C)(C)C)CC(=O)O Amb17334246 [0,2,0,0,0,0|2,0,0]=4 6560 B9R0.10 CN(CC(O)=O)P(O)(O)=O Amb24651000 [0,2,0,0,0,0|2,0,0]=4 6561 B9R0.10 C[C@@H](CC(O)=O)C(F)(F)F Amb25238266 [0,2,0,0,0,0|1,0,0]=3 6562 B9R0.10 C[C@H](CC(O)=O)C(C)(C)C Amb24409482 [0,2,0,0,0,0|1,0,0]=3 6563 B9R0.10 C[C@H](CC(O)=O)C(Cl)(Cl)Cl Amb25075604 [0,2,0,0,0,0|1,0,0]=3 6564 B9R0.10 C[C@H](CC(O)=O)C(F)(F)F Amb24482309 [0,2,0,0,0,0|1,0,0]=3 6565 B9R0.10 C[C@H](CC(O)=O)S(O)(=O)=O Amb25210783 [0,2,0,0,0,0|1,0,0]=3 6566 B9R0.10 NC(C(F)(F)F)CC(=O)O Amb1091770 [0,2,0,0,0,0|2,0,0]=4 6567 B9R0.10 NC(C(F)(F)F)CC(=O)O Amb1146904 [0,2,0,0,0,0|2,0,0]=4 6568 B9R0.10 N[C@@H](CC(O)=O)C(F)(F)F Amb22388421 [0,2,0,0,0,0|2,0,0]=4 6569 B9R0.10 N[C@@H](CC(O)=O)P(O)(O)=O Amb25322981 [0,2,0,0,0,0|2,0,0]=4 6570 B9R0.10 N[C@H](CC(O)=O)C(F)(F)F Amb20670844 [0,2,0,0,0,0|2,0,0]=4 6571 B9R0.10 N[C@H](CC(O)=O)C(F)(F)F Amb22738680 [0,2,0,0,0,0|2,0,0]=4 6572 B9R0.10 OC(=O)CC(F)C(F)(F)F Amb24472441 [0,2,0,0,0,0|2,0,0]=4 6573 B9R0.10 OC(=O)CC(S)C(F)(F)F Amb18790270 [0,2,0,0,0,0|2,0,0]=4 6574 B9R0.10 OC(C(C)(C)C)CC(=O)O Amb17232006 [0,2,0,0,0,0|2,0,0]=4 6575 B9R0.10 O[C@@H](C(F)(F)F)CC(=O)O Amb10838309 [0,2,0,0,0,0|2,0,0]=4 6576 B9R0.10 O[C@@H](CC(O)=O)C(Cl)(Cl)Cl Amb24412058 [0,2,0,0,0,0|2,0,0]=4 6577 B9R0.10 O[C@H](C(F)(F)F)CC(=O)O Amb10838307 [0,2,0,0,0,0|2,0,0]=4 6578 B9R0.11 CC(=C)C(C)(C)CC(O)=O Amb25703730 [0,2,0,0,0,0|1,0,1]=4 6579 B9R0.11 CC(=C)C(C)(N)CC(O)=O Amb22641962 [0,2,0,0,0,0|1,0,1]=4 6580 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [0,2,0,0,0,0|0,0,2]=4 6581 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [0,2,0,0,0,0|0,0,2]=4 6582 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [0,2,0,0,0,0|1,0,1]=4 6583 B9R0.11 CC(=S)C(C)(C)CC(O)=O Amb25227469 [0,2,0,0,0,0|0,1,1]=4 6584 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [0,2,0,0,0,0|1,0,1]=4 6585 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [0,2,0,0,0,0|1,0,1]=4 6586 B9R0.11 CC(C)(CC(O)=O)N(Cl)Cl Amb24384343 [0,2,0,0,0,0|2,0,0]=4 6587 B9R0.11 CC(C)C(C)(C)CC(C)=O Amb24387871 [0,2,0,0,0,0|2,0,0]=4 6588 B9R0.11 CC(C)C(C)(C)CC(O)=O Amb18124695 [0,2,0,0,0,0|1,0,0]=3 6589 B9R0.11 CC(C)C(C)(F)CC(O)=O Amb24665956 [0,2,0,0,0,0|1,0,0]=3 6590 B9R0.11 CC(C)C(C)(O)CC(O)=O Amb18991699 [0,2,0,0,0,0|1,0,0]=3 6591 B9R0.11 CC(C)[C@@](C)(N)CC(O)=O Amb19929555 [0,2,0,0,0,0|1,0,0]=3 6592 B9R0.11 CC(C)[C@](C)(N)CC(O)=O Amb19929556 [0,2,0,0,0,0|1,0,0]=3 6593 B9R0.11 CC(C)[N+](C)(C)CC(O)=O Amb24740673 [0,2,0,0,0,0|2,0,0]=4 6594 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [0,2,0,0,0,0|0,0,1]=3 6595 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [0,2,0,0,0,0|0,0,1]=3 6596 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [0,2,0,0,0,0|1,0,0]=3 6597 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [0,2,0,0,0,0|1,0,1]=4 6598 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [0,2,0,0,0,0|0,0,2]=4 6599 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [0,2,0,0,0,0|0,0,1]=3 6600 B9R0.11 CC(O)C(C)(C)NC(C)=O Amb24425580 [0,2,0,0,0,0|2,0,0]=4 6601 B9R0.11 CC(O)C(C)(C)NC(N)=O Amb25274592 [0,2,0,0,0,0|2,0,0]=4 6602 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [0,2,0,0,0,0|0,0,1]=3 6603 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [0,2,0,0,0,0|1,0,1]=4 6604 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [0,2,0,0,0,0|0,0,1]=3 6605 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [0,2,0,0,0,0|1,0,1]=4 6606 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [0,2,0,0,0,0|1,0,1]=4 6607 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [0,2,0,0,0,0|1,0,1]=4 6608 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [0,2,0,0,0,0|0,0,1]=3 6609 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [0,2,0,0,0,0|1,0,1]=4 6610 B9R0.11 OC(=O)CC(C(=S)N)(C)C Amb17466449 [0,2,0,0,0,0|0,1,1]=4 6611 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [0,2,0,0,0,0|0,0,1]=3 6612 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [0,2,0,0,0,0|0,0,1]=3 6613 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [0,2,0,0,0,0|0,0,1]=3 6614 B9R0.57 CC(CS(O)(=O)=O)C(O)=O Amb25101588 [0,2,0,0,0,0|1,0,1]=4 6615 B9R0.57 CC(O)C(C)CC(C)(C)O Amb25266535 [0,2,0,0,0,0|1,0,1]=4 6616 B9R0.57 CC(O)C(C)OP(O)(O)=O Amb25332491 [0,2,0,0,0,0|2,0,0]=4 6617 B9R0.30 CC(C)(CO)CS(N)(=O)=O Amb25225472 [0,2,0,0,0,0|1,0,1]=4 6618 B9R0.30 CCC(C)(N)CS(O)(=O)=O Amb24432826 [0,2,0,0,0,0|2,0,0]=4 6619 B7R1.1 BrCC1CC=CC1 Amb25216921 [1,0,0,1,0,0|2,0,0]=4 6620 B7R1.1 CCC1CNOC1 Amb25747042 [1,0,0,1,0,0|2,0,0]=4 6621 B7R1.1 ClCC1CC=CC1 Amb25059951 [1,0,0,1,0,0|2,0,0]=4 6622 B7R1.1 ICC1CC=CC1 Amb24078965 [1,0,0,1,0,0|2,0,0]=4 6623 B7R1.1 ICC1COCC1 Amb23439064 [1,0,0,1,0,0|1,0,1]=4 6624 B7R1.1 NCC1CC=CC1 Amb22301490 [1,0,0,1,0,0|2,0,0]=4 6625 B7R1.1 NCC1COCC1 Amb1117962 [1,0,0,1,0,0|1,0,1]=4 6626 B7R1.1 NC[C@@H]1COCC1 Amb23439065 [1,0,0,1,0,0|1,0,1]=4 6627 B7R1.1 NC[C@@H]1COCC1 Amb23439174 [1,0,0,1,0,0|1,0,1]=4 6628 B7R1.1 OCC1CCC=C1 Amb23455253 [1,0,0,1,0,0|1,0,1]=4 6629 B7R1.1 OCC1CN=CN1 Amb22831209 [1,0,0,1,0,0|2,0,0]=4 6630 B7R1.1 OCC1CN=CN1 Amb22831350 [1,0,0,1,0,0|2,0,0]=4 6631 B7R1.1 OCC1CNC=N1 Amb22496352 [1,0,0,1,0,0|2,0,0]=4 6632 B7R1.1 OCC1CNCC1 Amb20240954 [1,0,0,1,0,0|1,0,1]=4 6633 B7R1.1 OCC1CNCC1 Amb21858960 [1,0,0,1,0,0|1,0,1]=4 6634 B7R1.1 OCC1COC=C1 Amb24480931 [1,0,0,1,0,0|0,0,1]=3 6635 B7R1.1 OCC1CSCC1 Amb18203349 [1,0,0,1,0,0|0,1,1]=4 6636 B7R1.1 OC[C@@H]1CC=CO1 Amb25120125 [1,0,0,1,0,0|2,0,0]=4 6637 B7R1.1 OC[C@@H]1CNCC1 Amb10067155 [1,0,0,1,0,0|1,0,1]=4 6638 B7R1.1 OC[C@@H]1COCC1 Amb22746669 [1,0,0,1,0,0|0,0,1]=3 6639 B7R1.1 OC[C@@H]1CSC=N1 Amb24333789 [1,0,0,1,0,0|1,1,0]=4 6640 B7R1.1 OC[C@H]1CC=CO1 Amb25058557 [1,0,0,1,0,0|2,0,0]=4 6641 B7R1.1 OC[C@H]1CCC=C1 Amb25723081 [1,0,0,1,0,0|1,0,1]=4 6642 B7R1.2 C=C1CC(=O)OC1 Amb24589821 [1,0,0,1,0,0|0,0,2]=4 6643 B7R1.2 CC1CC(=O)CS1 Amb23598370 [1,0,0,1,0,0|2,0,0]=4 6644 B7R1.2 CC1CC(=O)NC1 Amb10608004 [1,0,0,1,0,0|1,0,0]=3 6645 B7R1.2 CC1CC=C(C)C1 Amb17674172 [1,0,0,1,0,0|2,0,0]=4 6646 B7R1.2 CC1CCC(=O)N1 Amb19267101 [1,0,0,1,0,0|2,0,0]=4 6647 B7R1.2 CC1CNC(=O)N1 Amb17506853 [1,0,0,1,0,0|2,0,0]=4 6648 B7R1.2 CC1CNC(=O)O1 Amb19651732 [1,0,0,1,0,0|2,0,0]=4 6649 B7R1.2 CC1CNC(=O)S1 Amb25367335 [1,0,0,1,0,0|2,0,0]=4 6650 B7R1.2 CC1COC(=O)C1 Amb22231914 [1,0,0,1,0,0|0,0,0]=2 6651 B7R1.2 CC1COC(=O)N1 Amb19517037 [1,0,0,1,0,0|1,0,0]=3 6652 B7R1.2 CC1COC(=S)N1 Amb24479649 [1,0,0,1,0,0|1,1,0]=4 6653 B7R1.2 CC1COC(N)=N1 Amb23449369 [1,0,0,1,0,0|2,0,0]=4 6654 B7R1.2 CC1COC(O)O1 Amb25204639 [1,0,0,1,0,0|1,0,1]=4 6655 B7R1.2 CC1COS(=O)O1 Amb22346070 [1,0,0,1,0,0|2,0,0]=4 6656 B7R1.2 CC1CS(=O)CC1 Amb24333540 [1,0,0,1,0,0|2,0,0]=4 6657 B7R1.2 CC1CSC(=O)C1 Amb25136024 [1,0,0,1,0,0|0,1,0]=3 6658 B7R1.2 CC1CSC(=O)S1 Amb22055765 [1,0,0,1,0,0|1,1,0]=4 6659 B7R1.2 CC1NNC(=O)C1 Amb2371659 [1,0,0,1,0,0|2,0,0]=4 6660 B7R1.2 CC1[N-]OC(=O)N1 Amb24481515 [1,0,0,1,0,0|2,0,0]=4 6661 B7R1.2 CC=1CC(=O)ON1 Amb22274079 [1,0,0,1,0,0|1,0,1]=4 6662 B7R1.2 CC=1COC(=O)C1 Amb22002703 [1,0,0,1,0,0|0,0,2]=4 6663 B7R1.2 CN1CC(=O)CC1 Amb22236123 [1,0,0,1,0,0|2,0,0]=4 6664 B7R1.2 CN1CNC(=O)C1 Amb24733801 [1,0,0,1,0,0|2,0,0]=4 6665 B7R1.2 C[C@@H]1CC(=O)CC1 Amb22801305 [1,0,0,1,0,0|1,0,0]=3 6666 B7R1.2 C[C@@H]1CC(O)OC1 Amb25795468 [1,0,0,1,0,0|0,0,1]=3 6667 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [1,0,0,1,0,0|1,0,0]=3 6668 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [1,0,0,1,0,0|2,0,0]=4 6669 B7R1.2 C[C@@H]1CNC(=O)C1 Amb22746719 [1,0,0,1,0,0|1,0,0]=3 6670 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [1,0,0,1,0,0|2,0,0]=4 6671 B7R1.2 C[C@@H]1COC(=O)C1 Amb19944613 [1,0,0,1,0,0|0,0,0]=2 6672 B7R1.2 C[C@@H]1COC(=O)N1 Amb22745849 [1,0,0,1,0,0|1,0,0]=3 6673 B7R1.2 C[C@@H]1COC(=S)N1 Amb25823566 [1,0,0,1,0,0|1,1,0]=4 6674 B7R1.2 C[C@@H]1COC(C)=N1 Amb24480955 [1,0,0,1,0,0|2,0,0]=4 6675 B7R1.2 C[C@@H]1C[C@H](O)CC1 Amb25241408 [1,0,0,1,0,0|1,0,1]=4 6676 B7R1.2 C[C@H]1CC(=O)CN1 Amb25746539 [1,0,0,1,0,0|2,0,0]=4 6677 B7R1.2 C[C@H]1CNC(=O)O1 Amb24480854 [1,0,0,1,0,0|2,0,0]=4 6678 B7R1.2 C[C@H]1COC(=O)C1 Amb25064301 [1,0,0,1,0,0|0,0,0]=2 6679 B7R1.2 C[C@H]1COC(=S)N1 Amb24480906 [1,0,0,1,0,0|1,1,0]=4 6680 B7R1.2 C[C@H]1COC(N)=N1 Amb24654801 [1,0,0,1,0,0|2,0,0]=4 6681 B7R1.2 C[C@H]1C[C@H](O)CC1 Amb25241604 [1,0,0,1,0,0|1,0,1]=4 6682 B7R1.2 ClC1COC(=O)O1 Amb10842117 [1,0,0,1,0,0|2,0,0]=4 6683 B7R1.2 FC1COC(=O)O1 Amb10841016 [1,0,0,1,0,0|2,0,0]=4 6684 B7R1.2 NC1CC(=O)CC1 Amb22236085 [1,0,0,1,0,0|2,0,0]=4 6685 B7R1.2 NC1CC(=O)CC1 Amb22494268 [1,0,0,1,0,0|2,0,0]=4 6686 B7R1.2 NC1CNC(=O)C1 Amb17760661 [1,0,0,1,0,0|2,0,0]=4 6687 B7R1.2 NC1COC(=O)N1 Amb23590649 [1,0,0,1,0,0|2,0,0]=4 6688 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22226165 [1,0,0,1,0,0|2,0,0]=4 6689 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22756464 [1,0,0,1,0,0|2,0,0]=4 6690 B7R1.2 N[C@@H]1COS(=O)C1 Amb24612429 [1,0,0,1,0,0|2,0,0]=4 6691 B7R1.2 N[C@H]1CC(=O)OC1 Amb16233747 [1,0,0,1,0,0|1,0,0]=3 6692 B7R1.2 N[C@H]1CNC(=O)C1 Amb22225365 [1,0,0,1,0,0|2,0,0]=4 6693 B7R1.2 N[C@H]1COC(=O)C1 Amb19516097 [1,0,0,1,0,0|1,0,0]=3 6694 B7R1.2 N[C@H]1COC(=O)C1 Amb25264112 [1,0,0,1,0,0|1,0,0]=3 6695 B7R1.2 O=C1CC(Br)CC1 Amb24334292 [1,0,0,1,0,0|2,0,0]=4 6696 B7R1.2 O=C1CC(Br)CO1 Amb25803413 [1,0,0,1,0,0|1,0,0]=3 6697 B7R1.2 O=C1CC(Cl)CO1 Amb24608923 [1,0,0,1,0,0|1,0,0]=3 6698 B7R1.2 O=C1CC(F)CC1 Amb21963553 [1,0,0,1,0,0|2,0,0]=4 6699 B7R1.2 O=C1CC(F)CO1 Amb24431109 [1,0,0,1,0,0|1,0,0]=3 6700 B7R1.2 O=C1CC(I)CC1 Amb22001809 [1,0,0,1,0,0|2,0,0]=4 6701 B7R1.2 O=C1CC(S)CN1 Amb25685875 [1,0,0,1,0,0|2,0,0]=4 6702 B7R1.2 O=C1C[C@@H](S)CN1 Amb22225368 [1,0,0,1,0,0|2,0,0]=4 6703 B7R1.2 O=C1C[C@H](S)CN1 Amb22226251 [1,0,0,1,0,0|2,0,0]=4 6704 B7R1.2 O=C1OCC(I)O1 Amb25681787 [1,0,0,1,0,0|2,0,0]=4 6705 B7R1.2 OC1CC(=O)CC1 Amb22057378 [1,0,0,1,0,0|2,0,0]=4 6706 B7R1.2 OC1CNC(=O)C1 Amb19958404 [1,0,0,1,0,0|2,0,0]=4 6707 B7R1.2 OC1COC(=O)N1 Amb24428770 [1,0,0,1,0,0|2,0,0]=4 6708 B7R1.2 O[C@@H]1CC(=O)NC1 Amb15691722 [1,0,0,1,0,0|2,0,0]=4 6709 B7R1.2 [NH3+]C1CNC(=O)C1 Amb24112953 [1,0,0,1,0,0|2,0,0]=4 6710 B7R1.3 CC1CC=CCC1 Amb22729698 [1,0,0,1,0,0|2,0,0]=4 6711 B7R1.3 CC1CCOCC1 Amb22043825 [1,0,0,1,0,0|1,0,1]=4 6712 B7R1.3 CC1COCCC1 Amb22347806 [1,0,0,1,0,0|1,0,1]=4 6713 B7R1.3 CC1COCOC1 Amb24587149 [1,0,0,1,0,0|2,0,0]=4 6714 B7R1.3 OC1CC=COC1 Amb25663138 [1,0,0,1,0,0|2,0,0]=4 6715 B7R1.3 O[C@H]1CC=COC1 Amb25272017 [1,0,0,1,0,0|2,0,0]=4 6716 B7R1.4 CC1CCCC1O Amb22052652 [1,0,0,1,0,0|1,0,1]=4 6717 B7R1.4 CC1CNCC1O Amb22886911 [1,0,0,1,0,0|2,0,0]=4 6718 B7R1.4 CC1CNCC1O Amb25792196 [1,0,0,1,0,0|2,0,0]=4 6719 B7R1.4 CC1CSCC1O Amb25694499 [1,0,0,1,0,0|2,0,0]=4 6720 B7R1.4 C[C@@H]1CCC[C@@H]1O Amb22886799 [1,0,0,1,0,0|1,0,1]=4 6721 B7R1.4 C[C@@H]1CNC[C@@H]1O Amb22886215 [1,0,0,1,0,0|2,0,0]=4 6722 B7R1.4 C[C@@H]1CNC[C@@H]1O Amb25784275 [1,0,0,1,0,0|2,0,0]=4 6723 B7R1.4 C[C@@H]1CNC[C@H]1O Amb22886846 [1,0,0,1,0,0|2,0,0]=4 6724 B7R1.4 C[C@@H]1CNC[C@H]1O Amb25110287 [1,0,0,1,0,0|2,0,0]=4 6725 B7R1.4 C[C@@H]1COC[C@@H]1O Amb22886816 [1,0,0,1,0,0|2,0,0]=4 6726 B7R1.4 C[C@@H]1COC[C@H]1O Amb22886616 [1,0,0,1,0,0|2,0,0]=4 6727 B7R1.4 C[C@H]1C=CC[C@@H]1O Amb24630805 [1,0,0,1,0,0|1,0,1]=4 6728 B7R1.4 C[C@H]1CNC[C@@H]1O Amb24587394 [1,0,0,1,0,0|2,0,0]=4 6729 B7R1.4 C[C@H]1COC[C@@H]1O Amb24609705 [1,0,0,1,0,0|2,0,0]=4 6730 B7R1.4 OC1C=CCC1Br Amb25799488 [1,0,0,1,0,0|2,0,0]=4 6731 B7R1.4 OC1C=CCC1I Amb25049323 [1,0,0,1,0,0|2,0,0]=4 6732 B7R1.4 OC1C=CCC1O Amb17593080 [1,0,0,1,0,0|2,0,0]=4 6733 B7R1.4 OC1OCCC1F Amb22641467 [1,0,0,1,0,0|1,0,1]=4 6734 B7R1.4 O[C@@H]1C=CC[C@H]1Br Amb24511907 [1,0,0,1,0,0|2,0,0]=4 6735 B7R1.4 O[C@@H]1C=CC[C@H]1I Amb24549795 [1,0,0,1,0,0|2,0,0]=4 6736 B7R1.4 O[C@@H]1CCOC1O Amb25769388 [1,0,0,1,0,0|1,0,1]=4 6737 B7R1.4 O[C@@H]1CCO[C@H]1O Amb24618710 [1,0,0,1,0,0|1,0,1]=4 6738 B7R1.4 O[C@H]1C=CC[C@H]1F Amb24632084 [1,0,0,1,0,0|2,0,0]=4 6739 B7R1.4 O[C@H]1C=CC[C@H]1O Amb24622453 [1,0,0,1,0,0|2,0,0]=4 6740 B7R1.4 O[C@H]1CCC[C@@H]1C Amb10844719 [1,0,0,1,0,0|1,0,1]=4 6741 B7R1.4 O[C@H]1CCO[C@H]1O Amb25025810 [1,0,0,1,0,0|1,0,1]=4 6742 B7R1.4 O[C@H]1OCC[C@@H]1Cl Amb25232988 [1,0,0,1,0,0|1,0,1]=4 6743 B7R1.5 C=C1C[C@@H]1CC=O Amb24574015 [1,0,0,1,0,0|1,0,1]=4 6744 B7R1.5 C=C1C[C@H]1CC=O Amb25326113 [1,0,0,1,0,0|1,0,1]=4 6745 B7R1.5 C=CCC1CC1Cl Amb24634288 [1,0,0,1,0,0|2,0,0]=4 6746 B7R1.5 C=CC[C@@H]1C[C@H]1O Amb25215350 [1,0,0,1,0,0|1,0,0]=3 6747 B7R1.5 CC1CC1CC=O Amb25737156 [1,0,0,1,0,0|1,0,0]=3 6748 B7R1.5 CC1CC1CCO Amb25026465 [1,0,0,1,0,0|1,0,1]=4 6749 B7R1.5 CCCC1CC1O Amb25811022 [1,0,0,1,0,0|1,0,1]=4 6750 B7R1.5 C[C@@H]1C[C@H]1CCO Amb24593150 [1,0,0,1,0,0|1,0,1]=4 6751 B7R1.5 C[C@H]1C[C@H]1CCO Amb25810215 [1,0,0,1,0,0|1,0,1]=4 6752 B7R1.5 N[C@H]1C[C@@H]1CCO Amb24681172 [1,0,0,1,0,0|1,0,1]=4 6753 B7R1.5 N[C@H]1C[C@H]1CCO Amb24562303 [1,0,0,1,0,0|1,0,1]=4 6754 B7R1.6 C=CCC1CNC1 Amb23439504 [1,0,0,1,0,0|2,0,0]=4 6755 B7R1.6 C=CCC1COC1 Amb25856439 [1,0,0,1,0,0|1,0,0]=3 6756 B7R1.6 C=CCC1CSC1 Amb24623573 [1,0,0,1,0,0|1,1,0]=4 6757 B7R1.6 CNCC1COC1 Amb22405905 [1,0,0,1,0,0|2,0,0]=4 6758 B7R1.6 ClCCC1COC1 Amb25769308 [1,0,0,1,0,0|1,0,1]=4 6759 B7R1.6 ICCC1COC1 Amb25207110 [1,0,0,1,0,0|1,0,1]=4 6760 B7R1.6 N#CCC1COC1 Amb22008320 [1,0,0,1,0,0|1,0,1]=4 6761 B7R1.6 NCCC1COC1 Amb21864698 [1,0,0,1,0,0|1,0,1]=4 6762 B7R1.6 NCCC1COC1 Amb22896746 [1,0,0,1,0,0|1,0,1]=4 6763 B7R1.6 NNCC1COC1 Amb25195624 [1,0,0,1,0,0|2,0,0]=4 6764 B7R1.6 O=CC=C1COC1 Amb20671339 [1,0,0,1,0,0|0,0,2]=4 6765 B7R1.6 O=CCC1CCC1 Amb22002603 [1,0,0,1,0,0|1,0,0]=3 6766 B7R1.6 O=CCC1COC1 Amb23440119 [1,0,0,1,0,0|0,0,0]=2 6767 B7R1.6 O=CCN1CCC1 Amb25831216 [1,0,0,1,0,0|2,0,0]=4 6768 B7R1.6 O=CNC1CCC1 Amb22295895 [1,0,0,1,0,0|2,0,0]=4 6769 B7R1.6 OCCC1CCC1 Amb22371147 [1,0,0,1,0,0|1,0,1]=4 6770 B7R1.6 OCCC1CNC1 Amb22737370 [1,0,0,1,0,0|1,0,1]=4 6771 B7R1.6 OCCC1COC1 Amb20671348 [1,0,0,1,0,0|0,0,1]=3 6772 B7R1.6 OCCC1CSC1 Amb24574115 [1,0,0,1,0,0|0,1,1]=4 6773 B7R1.6 [C-]#[N+]CC1COC1 Amb23539050 [1,0,0,1,0,0|2,0,0]=4 6774 B7R1.8 CC1CCC1CO Amb23512661 [1,0,0,1,0,0|1,0,1]=4 6775 B7R1.8 CC1CNC1CO Amb25310037 [1,0,0,1,0,0|1,0,1]=4 6776 B7R1.8 CC1COC1CC Amb25024514 [1,0,0,1,0,0|1,0,1]=4 6777 B7R1.8 CC1COC1CI Amb24445415 [1,0,0,1,0,0|1,0,1]=4 6778 B7R1.8 C[C@@H]1CC[C@H]1CO Amb24520389 [1,0,0,1,0,0|1,0,1]=4 6779 B7R1.8 C[C@@H]1CN[C@@H]1CO Amb25230021 [1,0,0,1,0,0|1,0,1]=4 6780 B7R1.8 C[C@H]1CC[C@H]1C=O Amb25373249 [1,0,0,1,0,0|1,0,0]=3 6781 B7R1.8 NC1COC1CO Amb25745669 [1,0,0,1,0,0|1,0,1]=4 6782 B7R1.9 C=CC1CC1C=O Amb25706757 [1,0,0,1,0,0|1,0,1]=4 6783 B7R1.9 C=CC1CC1CBr Amb25274052 [1,0,0,1,0,0|2,0,0]=4 6784 B7R1.9 C=C[C@@H]1C[C@H]1C=O Amb24550243 [1,0,0,1,0,0|1,0,1]=4 6785 B7R1.9 C=C[C@H]1C[C@@H]1C=O Amb24713815 [1,0,0,1,0,0|1,0,1]=4 6786 B7R1.9 C=C[C@H]1C[C@@H]1CO Amb25176489 [1,0,0,1,0,0|1,0,0]=3 6787 B7R1.9 C=C[C@H]1C[C@H]1C=O Amb24670531 [1,0,0,1,0,0|1,0,1]=4 6788 B7R1.9 C=C[C@H]1C[C@H]1CO Amb24519860 [1,0,0,1,0,0|1,0,0]=3 6789 B7R1.9 CCC1CC1C=O Amb24435958 [1,0,0,1,0,0|1,0,0]=3 6790 B7R1.9 CCC1OC1C=O Amb25292367 [1,0,0,1,0,0|2,0,0]=4 6791 B7R1.9 CC[C@@H]1C[C@@H]1CO Amb24519658 [1,0,0,1,0,0|1,0,1]=4 6792 B7R1.9 CC[C@@H]1C[C@H]1C=O Amb24603090 [1,0,0,1,0,0|1,0,0]=3 6793 B7R1.9 CC[C@@H]1C[C@H]1CO Amb24586149 [1,0,0,1,0,0|1,0,1]=4 6794 B7R1.9 CC[C@H]1C[C@@H]1CO Amb25215336 [1,0,0,1,0,0|1,0,1]=4 6795 B7R1.9 CC[C@H]1C[C@H]1C=O Amb25366612 [1,0,0,1,0,0|1,0,0]=3 6796 B7R1.9 CC[C@H]1O[C@@H]1C=O Amb24627851 [1,0,0,1,0,0|2,0,0]=4 6797 B7R1.9 CN[C@@H]1C[C@@H]1CO Amb24551057 [1,0,0,1,0,0|2,0,0]=4 6798 B7R1.9 N#CC1CC1C=O Amb24378434 [1,0,0,1,0,0|1,0,1]=4 6799 B7R1.9 N#CC1CC1CO Amb22755200 [1,0,0,1,0,0|1,0,1]=4 6800 B7R1.9 NCC1CC1CO Amb22499310 [1,0,0,1,0,0|1,0,1]=4 6801 B7R1.9 NC[C@@H]1C[C@@H]1CO Amb22746714 [1,0,0,1,0,0|1,0,1]=4 6802 B7R1.9 NC[C@@H]1C[C@H]1CO Amb22746972 [1,0,0,1,0,0|1,0,1]=4 6803 B7R1.9 NC[C@H]1C[C@@H]1CO Amb22224716 [1,0,0,1,0,0|1,0,1]=4 6804 B7R1.9 NC[C@H]1C[C@H]1CO Amb25217566 [1,0,0,1,0,0|1,0,1]=4 6805 B7R1.9 O=CC1CC1CBr Amb25087452 [1,0,0,1,0,0|1,0,0]=3 6806 B7R1.9 O=C[C@@H]1C[C@@H]1C=O Amb25349499 [1,0,0,1,0,0|0,0,2]=4 6807 B7R1.9 O=C[C@@H]1C[C@H]1C=O Amb25179869 [1,0,0,1,0,0|0,0,2]=4 6808 B7R1.9 OCC1CC1C=O Amb25726392 [1,0,0,1,0,0|0,0,0]=2 6809 B7R1.9 OCC1CC1CF Amb25129076 [1,0,0,1,0,0|1,0,1]=4 6810 B7R1.9 OCC1O[C@H]1CO Amb25344954 [1,0,0,1,0,0|1,0,1]=4 6811 B7R1.9 OC[C@@H]1C[C@H]1CO Amb25333423 [1,0,0,1,0,0|0,0,1]=3 6812 B7R1.9 OC[C@H]1C[C@@H]1CF Amb25235989 [1,0,0,1,0,0|1,0,1]=4 6813 B7R1.9 OC[C@H]1C[C@@H]1CO Amb24738177 [1,0,0,1,0,0|0,0,1]=3 6814 B7R1.10 C=C1CC(CBr)C1 Amb24365342 [1,0,0,1,0,0|2,0,0]=4 6815 B7R1.10 C=C1CC(CO)C1 Amb25854323 [1,0,0,1,0,0|1,0,0]=3 6816 B7R1.10 CC1CC(CO)C1 Amb23556375 [1,0,0,1,0,0|1,0,1]=4 6817 B7R1.10 CCC1CC(=C)C1 Amb25719578 [1,0,0,1,0,0|2,0,0]=4 6818 B7R1.10 CCC1CC(=O)C1 Amb24406738 [1,0,0,1,0,0|1,0,0]=3 6819 B7R1.10 CCC1CC(O)C1 Amb24654646 [1,0,0,1,0,0|1,0,1]=4 6820 B7R1.10 CC[C@H]1CC(=O)N1 Amb24479784 [1,0,0,1,0,0|2,0,0]=4 6821 B7R1.10 COC1CC(=O)C1 Amb22754340 [1,0,0,1,0,0|2,0,0]=4 6822 B7R1.10 ClCC1CC(=O)C1 Amb10610581 [1,0,0,1,0,0|1,0,0]=3 6823 B7R1.10 N#CC1CC(=O)C1 Amb10603718 [1,0,0,1,0,0|1,0,1]=4 6824 B7R1.10 NC1CC(CO)C1 Amb21960726 [1,0,0,1,0,0|1,0,1]=4 6825 B7R1.10 NC1CC(CO)C1 Amb23570501 [1,0,0,1,0,0|1,0,1]=4 6826 B7R1.10 NCC1CC(=C)C1 Amb10071401 [1,0,0,1,0,0|2,0,0]=4 6827 B7R1.10 NCC1CC(=C)C1 Amb10976021 [1,0,0,1,0,0|2,0,0]=4 6828 B7R1.10 NCC1CC(=O)C1 Amb18251063 [1,0,0,1,0,0|1,0,0]=3 6829 B7R1.10 NCC1CC(=O)C1 Amb22406094 [1,0,0,1,0,0|1,0,0]=3 6830 B7R1.10 NCC1CC(=O)N1 Amb25230632 [1,0,0,1,0,0|2,0,0]=4 6831 B7R1.10 NCC1CC(O)C1 Amb21962033 [1,0,0,1,0,0|1,0,1]=4 6832 B7R1.10 NCC1CC(O)C1 Amb22405901 [1,0,0,1,0,0|1,0,1]=4 6833 B7R1.10 NC[C@@H]1CC(=O)N1 Amb24120375 [1,0,0,1,0,0|2,0,0]=4 6834 B7R1.10 NC[C@@H]1C[C@@H](O)C1 Amb22899712 [1,0,0,1,0,0|1,0,1]=4 6835 B7R1.10 NC[C@@H]1C[C@@H](O)C1 Amb22899737 [1,0,0,1,0,0|1,0,1]=4 6836 B7R1.10 NC[C@@H]1C[C@H](O)C1 Amb22831753 [1,0,0,1,0,0|1,0,1]=4 6837 B7R1.10 NC[C@@H]1C[C@H](O)C1 Amb22899743 [1,0,0,1,0,0|1,0,1]=4 6838 B7R1.10 N[C@@H]1C[C@@H](CO)C1 Amb23439196 [1,0,0,1,0,0|1,0,1]=4 6839 B7R1.10 N[C@@H]1C[C@@H](CO)C1 Amb25124019 [1,0,0,1,0,0|1,0,1]=4 6840 B7R1.10 N[C@@H]1C[C@H](CO)C1 Amb22745997 [1,0,0,1,0,0|1,0,1]=4 6841 B7R1.10 N[C@@H]1C[C@H](CO)C1 Amb22747308 [1,0,0,1,0,0|1,0,1]=4 6842 B7R1.10 O=C1CC(CBr)C1 Amb20671344 [1,0,0,1,0,0|1,0,0]=3 6843 B7R1.10 O=C1CC(CBr)N1 Amb25779168 [1,0,0,1,0,0|2,0,0]=4 6844 B7R1.10 O=C1CC(CI)O1 Amb25169535 [1,0,0,1,0,0|2,0,0]=4 6845 B7R1.10 OC1CC(C1)CO Amb22284484 [1,0,0,1,0,0|0,0,1]=3 6846 B7R1.10 OC1CC(CCl)C1 Amb25083416 [1,0,0,1,0,0|1,0,1]=4 6847 B7R1.10 OCC1CC(=O)C1 Amb16231082 [1,0,0,1,0,0|0,0,0]=2 6848 B7R1.10 OCC1CC(=O)N1 Amb22388379 [1,0,0,1,0,0|1,0,0]=3 6849 B7R1.10 OCC1CC(=O)O1 Amb25706008 [1,0,0,1,0,0|1,0,0]=3 6850 B7R1.10 OCC1CC(Cl)C1 Amb21962428 [1,0,0,1,0,0|1,0,1]=4 6851 B7R1.10 OCC1CC(F)C1 Amb22886692 [1,0,0,1,0,0|1,0,1]=4 6852 B7R1.10 OC[C@@H]1CC(=O)N1 Amb24578924 [1,0,0,1,0,0|1,0,0]=3 6853 B7R1.10 OC[C@H]1CC(=O)O1 Amb25769462 [1,0,0,1,0,0|1,0,0]=3 6854 B7R1.10 O[C@H]1C[C@H](C1)CO Amb24665713 [1,0,0,1,0,0|0,0,1]=3 6855 B7R1.11 CC1C(Br)C1C=C Amb24653496 [1,0,0,1,0,0|2,0,0]=4 6856 B7R1.11 CC1C(C=O)C1C Amb25076190 [1,0,0,1,0,0|1,0,0]=3 6857 B7R1.11 CC1C(Cl)C1CO Amb24479714 [1,0,0,1,0,0|1,0,1]=4 6858 B7R1.11 C[C@@H]1[C@@H](CO)[C@@H]1C Amb25847903 [1,0,0,1,0,0|1,0,1]=4 6859 B7R1.11 C[C@H]1C(CO)[C@@H]1C Amb24675074 [1,0,0,1,0,0|1,0,1]=4 6860 B7R1.11 C[C@H]1[C@@H](C=O)[C@H]1C Amb24682712 [1,0,0,1,0,0|1,0,0]=3 6861 B7R1.11 C[C@H]1[C@H](Br)[C@@H]1C=C Amb24710292 [1,0,0,1,0,0|2,0,0]=4 6862 B7R1.11 C[C@H]1[C@H](Br)[C@@H]1CO Amb25210525 [1,0,0,1,0,0|1,0,1]=4 6863 B7R1.11 O[C@H]1[C@@H](Cl)[C@@H]1CO Amb24620983 [1,0,0,1,0,0|1,0,1]=4 6864 B7R1.15 CC1C(C)CC1=C Amb24648318 [1,0,0,1,0,0|2,0,0]=4 6865 B7R1.15 CC1C(C)CC1=O Amb24605096 [1,0,0,1,0,0|1,0,0]=3 6866 B7R1.15 CC1C(C)NC1=O Amb22364651 [1,0,0,1,0,0|2,0,0]=4 6867 B7R1.15 CC1CC(=O)N1N Amb24415255 [1,0,0,1,0,0|2,0,0]=4 6868 B7R1.15 CC1CC(O)C1N Amb24564236 [1,0,0,1,0,0|1,0,1]=4 6869 B7R1.15 CC1NC(=O)C1I Amb24504951 [1,0,0,1,0,0|2,0,0]=4 6870 B7R1.15 CC1NC(=O)C1O Amb24536600 [1,0,0,1,0,0|1,0,0]=3 6871 B7R1.15 CC1OC(=O)C1N Amb25169554 [1,0,0,1,0,0|2,0,0]=4 6872 B7R1.15 C[C@@H]1CC(=O)[C@@H]1Br Amb24656008 [1,0,0,1,0,0|1,0,0]=3 6873 B7R1.15 C[C@@H]1CC(=O)[C@H]1Br Amb24626651 [1,0,0,1,0,0|1,0,0]=3 6874 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O Amb24632755 [1,0,0,1,0,0|1,0,0]=3 6875 B7R1.15 C[C@@H]1NC(=O)[C@H]1Cl Amb24746811 [1,0,0,1,0,0|2,0,0]=4 6876 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Amb22388492 [1,0,0,1,0,0|2,0,0]=4 6877 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Amb22757240 [1,0,0,1,0,0|2,0,0]=4 6878 B7R1.15 C[C@@H]1[C@H](C)CC1=O Amb25745705 [1,0,0,1,0,0|1,0,0]=3 6879 B7R1.15 C[C@H]1NC(=O)[C@H]1Br Amb25327771 [1,0,0,1,0,0|2,0,0]=4 6880 B7R1.15 C[C@H]1NC(=O)[C@H]1I Amb24561079 [1,0,0,1,0,0|2,0,0]=4 6881 B7R1.21 CC1(CCO)CC1 Amb23538727 [1,0,0,1,0,0|1,0,1]=4 6882 B7R1.21 CC1(CCO)CO1 Amb25857517 [1,0,0,1,0,0|0,0,1]=3 6883 B7R1.21 CCCC1(C)CO1 Amb22228891 [1,0,0,1,0,0|1,0,1]=4 6884 B7R1.21 CCC[C@]1(C)CO1 Amb24507624 [1,0,0,1,0,0|1,0,1]=4 6885 B7R1.21 COCC1(C)CO1 Amb20668360 [1,0,0,1,0,0|2,0,0]=4 6886 B7R1.21 CSCC1(C)CO1 Amb25726618 [1,0,0,1,0,0|2,0,0]=4 6887 B7R1.21 C[C@@]1(CCO)CO1 Amb25787188 [1,0,0,1,0,0|0,0,1]=3 6888 B7R1.21 C[C@]1(CCO)CO1 Amb25723082 [1,0,0,1,0,0|0,0,1]=3 6889 B7R1.21 O=CCC1(F)CC1 Amb24620850 [1,0,0,1,0,0|2,0,0]=4 6890 B7R1.21 OC1(CC=O)CC1 Amb25243362 [1,0,0,1,0,0|2,0,0]=4 6891 B7R1.22 CC(CBr)C1CO1 Amb24676951 [1,0,0,1,0,0|1,0,1]=4 6892 B7R1.22 CC(CO)C1CC1 Amb22347995 [1,0,0,1,0,0|1,0,1]=4 6893 B7R1.22 C[C@@H](CO)[C@H]1CO1 Amb25257153 [1,0,0,1,0,0|0,0,1]=3 6894 B7R1.22 O[C@@H](CO)[C@@H]1CO1 Amb25245465 [1,0,0,1,0,0|1,0,1]=4 6895 B7R1.25 CC1(CBr)CCO1 Amb22736451 [1,0,0,1,0,0|1,0,1]=4 6896 B7R1.25 CC1(CCl)CCO1 Amb22736510 [1,0,0,1,0,0|1,0,1]=4 6897 B7R1.25 CC1(CI)CCO1 Amb22736694 [1,0,0,1,0,0|1,0,1]=4 6898 B7R1.25 CC1(CO)CCC1 Amb24615580 [1,0,0,1,0,0|1,0,1]=4 6899 B7R1.25 CC1(CO)CCN1 Amb25327079 [1,0,0,1,0,0|1,0,1]=4 6900 B7R1.25 CC1(CO)CNC1 Amb22886312 [1,0,0,1,0,0|2,0,0]=4 6901 B7R1.25 CC1(CO)CNC1 Amb23385290 [1,0,0,1,0,0|2,0,0]=4 6902 B7R1.25 CC1(CO)CSC1 Amb21960455 [1,0,0,1,0,0|2,0,0]=4 6903 B7R1.27 CC1(CC1=O)C=C Amb25116558 [1,0,0,1,0,0|1,0,1]=4 6904 B7R1.27 CC1(CC1O)CO Amb24699167 [1,0,0,1,0,0|0,0,1]=3 6905 B7R1.27 CC1(CO)CC1=C Amb24577215 [1,0,0,1,0,0|1,0,0]=3 6906 B7R1.27 CC1(CO)CC1Br Amb10808788 [1,0,0,1,0,0|1,0,1]=4 6907 B7R1.27 C[C@@]1(CO)C[C@H]1Br Amb25251217 [1,0,0,1,0,0|1,0,1]=4 6908 B7R1.12 C=C1C[C@@H]1C(O)=O Amb24683036 [1,0,0,1,0,0|0,0,2]=4 6909 B7R1.12 C=C1C[C@H]1C(O)=O Amb24368112 [1,0,0,1,0,0|0,0,2]=4 6910 B7R1.12 CC(=O)C1CC1Br Amb24426068 [1,0,0,1,0,0|2,0,0]=4 6911 B7R1.12 CC(=O)C1CC1Cl Amb25321894 [1,0,0,1,0,0|2,0,0]=4 6912 B7R1.12 CC(=O)[C@@H]1C[C@@H]1Br Amb25745820 [1,0,0,1,0,0|2,0,0]=4 6913 B7R1.12 CC(=O)[C@@H]1C[C@@H]1Cl Amb24595358 [1,0,0,1,0,0|2,0,0]=4 6914 B7R1.12 CC(=O)[C@@H]1C[C@H]1Br Amb25110221 [1,0,0,1,0,0|2,0,0]=4 6915 B7R1.12 CC(=O)[C@@H]1C[C@H]1Cl Amb25179033 [1,0,0,1,0,0|2,0,0]=4 6916 B7R1.12 CC(C)C1CC1O Amb25355248 [1,0,0,1,0,0|1,0,1]=4 6917 B7R1.12 CC(C)C1OC1Cl Amb24479293 [1,0,0,1,0,0|1,0,1]=4 6918 B7R1.12 CC(C)C1ON1C Amb24479796 [1,0,0,1,0,0|2,0,0]=4 6919 B7R1.12 CC1CC1C(C)=C Amb25694889 [1,0,0,1,0,0|2,0,0]=4 6920 B7R1.12 CC1CC1C(C)=O Amb25720437 [1,0,0,1,0,0|1,0,0]=3 6921 B7R1.12 CC1CC1C(C)O Amb25849677 [1,0,0,1,0,0|1,0,1]=4 6922 B7R1.12 CC1CC1C(N)=N Amb25139920 [1,0,0,1,0,0|2,0,0]=4 6923 B7R1.12 CC1CC1C(N)=S Amb25302556 [1,0,0,1,0,0|1,1,0]=4 6924 B7R1.12 CC1CC1[C@@H](C)O Amb24683424 [1,0,0,1,0,0|1,0,1]=4 6925 B7R1.12 CC1CC1[C@H](C)O Amb25271040 [1,0,0,1,0,0|1,0,1]=4 6926 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,1,0,0|0,0,0]=2 6927 B7R1.12 CC1OC1C(C)O Amb24687071 [1,0,0,1,0,0|1,0,1]=4 6928 B7R1.12 CC1OC1[C@H](C)O Amb24529514 [1,0,0,1,0,0|1,0,1]=4 6929 B7R1.12 CC1SC1C(C)=O Amb24333031 [1,0,0,1,0,0|1,1,0]=4 6930 B7R1.12 C[C@@H]1C[C@@H]1B(O)O Amb24329037 [1,0,0,1,0,0|1,0,1]=4 6931 B7R1.12 C[C@@H]1C[C@@H]1C(C)=O Amb24670522 [1,0,0,1,0,0|1,0,0]=3 6932 B7R1.12 C[C@@H]1C[C@@H]1C(N)=O Amb25745425 [1,0,0,1,0,0|1,0,0]=3 6933 B7R1.12 C[C@@H]1C[C@@H]1C(O)=O Amb25851678 [1,0,0,1,0,0|0,0,0]=2 6934 B7R1.12 C[C@@H]1C[C@H]1B(O)O Amb24330179 [1,0,0,1,0,0|1,0,1]=4 6935 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [1,0,0,1,0,0|1,0,0]=3 6936 B7R1.12 C[C@@H]1C[C@H]1C(C)O Amb24714696 [1,0,0,1,0,0|1,0,1]=4 6937 B7R1.12 C[C@@H]1C[C@H]1C(O)=O Amb22735875 [1,0,0,1,0,0|0,0,0]=2 6938 B7R1.12 C[C@@H]1N[C@H]1C(O)=O Amb24120621 [1,0,0,1,0,0|1,0,0]=3 6939 B7R1.12 C[C@@H]1O[C@@H]1[C@@H](C)O Amb24630796 [1,0,0,1,0,0|1,0,1]=4 6940 B7R1.12 C[C@@H]1O[C@@H]1[C@H](C)O Amb25176663 [1,0,0,1,0,0|1,0,1]=4 6941 B7R1.12 C[C@@H]1O[C@H]1C(O)=O Amb25738149 [1,0,0,1,0,0|0,0,0]=2 6942 B7R1.12 C[C@@H]1O[C@H]1[C@@H](C)O Amb24570001 [1,0,0,1,0,0|1,0,1]=4 6943 B7R1.12 C[C@@H]1S[C@H]1C(C)=O Amb24374150 [1,0,0,1,0,0|1,1,0]=4 6944 B7R1.12 C[C@H]1C[C@@H]1B(O)O Amb24608885 [1,0,0,1,0,0|1,0,1]=4 6945 B7R1.12 C[C@H]1C[C@@H]1C(O)=O Amb22735974 [1,0,0,1,0,0|0,0,0]=2 6946 B7R1.12 C[C@H]1C[C@H]1B(O)O Amb24515113 [1,0,0,1,0,0|1,0,1]=4 6947 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,1,0,0|0,0,0]=2 6948 B7R1.12 C[C@H]1C[C@H]1C(C)=O Amb25236374 [1,0,0,1,0,0|1,0,0]=3 6949 B7R1.12 C[C@H]1C[C@H]1C(C)O Amb24593507 [1,0,0,1,0,0|1,0,1]=4 6950 B7R1.12 C[C@H]1C[C@H]1[C@@H](C)O Amb25026747 [1,0,0,1,0,0|1,0,1]=4 6951 B7R1.12 C[C@H]1O[C@@H]1C(C)O Amb25173891 [1,0,0,1,0,0|1,0,1]=4 6952 B7R1.12 C[C@H]1O[C@H]1C(C)O Amb24597224 [1,0,0,1,0,0|1,0,1]=4 6953 B7R1.12 C[C@H]1O[C@H]1[C@H](C)O Amb24671875 [1,0,0,1,0,0|1,0,1]=4 6954 B7R1.12 NC(=O)[C@@H]1C[C@@H]1Br Amb24519223 [1,0,0,1,0,0|2,0,0]=4 6955 B7R1.12 NC1CC1C(N)=O Amb18279694 [1,0,0,1,0,0|2,0,0]=4 6956 B7R1.12 N[C@@H]1C[C@@H]1C(O)=O Amb25708637 [1,0,0,1,0,0|1,0,0]=3 6957 B7R1.12 N[C@@H]1C[C@H]1C(=O)O Amb2372566 [1,0,0,1,0,0|1,0,0]=3 6958 B7R1.12 N[C@H]1C[C@@H]1C(O)=O Amb25204284 [1,0,0,1,0,0|1,0,0]=3 6959 B7R1.12 O=C(Cl)[C@@H]1C[C@H]1Cl Amb25320863 [1,0,0,1,0,0|2,0,0]=4 6960 B7R1.12 O=C(Cl)[C@@H]1C[C@H]1F Amb24403332 [1,0,0,1,0,0|2,0,0]=4 6961 B7R1.12 O=C(Cl)[C@H]1C[C@@H]1F Amb22224871 [1,0,0,1,0,0|2,0,0]=4 6962 B7R1.12 OC(=O)C1CC1F Amb22490547 [1,0,0,1,0,0|1,0,0]=3 6963 B7R1.12 OC(=O)C1CC1S Amb20246988 [1,0,0,1,0,0|0,1,0]=3 6964 B7R1.12 OC(=O)[C@@H]1C[C@@H]1Cl Amb25209184 [1,0,0,1,0,0|1,0,0]=3 6965 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,1,0,0|1,0,0]=3 6966 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,1,0,0|1,0,0]=3 6967 B7R1.12 OC(=O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,1,0,0|1,0,0]=3 6968 B7R1.12 OC(=O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,1,0,0|1,0,0]=3 6969 B7R1.12 OC(=O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,1,0,0|1,0,0]=3 6970 B7R1.12 OC(=O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,1,0,0|1,0,0]=3 6971 B7R1.12 OC(=O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,1,0,0|1,0,0]=3 6972 B7R1.12 OC1CC1C(O)=O Amb24360896 [1,0,0,1,0,0|0,0,0]=2 6973 B7R1.16 CC1(C)CC(=O)C1 Amb24117921 [1,0,0,1,0,0|1,0,0]=3 6974 B7R1.16 CC1(C)CC(=O)N1 Amb19515692 [1,0,0,1,0,0|1,0,0]=3 6975 B7R1.16 CC1(C)CC(=O)O1 Amb17940813 [1,0,0,1,0,0|0,0,0]=2 6976 B7R1.16 CC1(C)CC(O)S1 Amb24431332 [1,0,0,1,0,0|0,1,1]=4 6977 B7R1.16 CC1CC(C)(O)C1 Amb25769307 [1,0,0,1,0,0|1,0,1]=4 6978 B7R1.16 OC1CP(O)(=O)C1 Amb25811046 [1,0,0,1,0,0|1,0,0]=3 6979 B7R1.16 OC1CS(=O)(=O)C1 Amb22229261 [1,0,0,1,0,0|1,0,1]=4 6980 B7R1.20 CC(=O)CC1CC1 Amb10603417 [1,0,0,1,0,0|1,0,0]=3 6981 B7R1.20 CC(=O)CC1CO1 Amb25718439 [1,0,0,1,0,0|1,0,0]=3 6982 B7R1.20 CC(=O)OC1CC1 Amb24334499 [1,0,0,1,0,0|2,0,0]=4 6983 B7R1.20 CC(=O)OC1CO1 Amb25261586 [1,0,0,1,0,0|2,0,0]=4 6984 B7R1.20 CC(C)CC1CO1 Amb24631080 [1,0,0,1,0,0|1,0,1]=4 6985 B7R1.20 CC(O)CC1CO1 Amb25745084 [1,0,0,1,0,0|1,0,1]=4 6986 B7R1.20 CS(=O)CC1CO1 Amb25060906 [1,0,0,1,0,0|2,0,0]=4 6987 B7R1.20 CS(=O)C[C@H]1CO1 Amb24431713 [1,0,0,1,0,0|2,0,0]=4 6988 B7R1.20 C[C@@H](O)CC1CC1 Amb22896775 [1,0,0,1,0,0|1,0,1]=4 6989 B7R1.20 C[C@@H](O)CC1CO1 Amb24644146 [1,0,0,1,0,0|1,0,1]=4 6990 B7R1.20 C[C@@H](O)C[C@@H]1CO1 Amb24630371 [1,0,0,1,0,0|1,0,1]=4 6991 B7R1.20 C[C@H](O)CC1CO1 Amb25687860 [1,0,0,1,0,0|1,0,1]=4 6992 B7R1.20 NC(=N)CC1CC1 Amb21964664 [1,0,0,1,0,0|2,0,0]=4 6993 B7R1.20 NC(=O)CC1CO1 Amb24654802 [1,0,0,1,0,0|1,0,0]=3 6994 B7R1.20 NC(=O)NC1CC1 Amb1152776 [1,0,0,1,0,0|2,0,0]=4 6995 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [1,0,0,1,0,0|1,0,0]=3 6996 B7R1.20 O=C(Cl)OC1CC1 Amb25251789 [1,0,0,1,0,0|2,0,0]=4 6997 B7R1.20 OC(=O)CC1CO1 Amb25244347 [1,0,0,1,0,0|0,0,0]=2 6998 B7R1.20 [O-][N+](=O)CC1CC1 Amb23589308 [1,0,0,1,0,0|1,0,1]=4 6999 B7R1.20 [O-][N+](=O)CC1CO1 Amb23589333 [1,0,0,1,0,0|1,0,1]=4 7000 B7R1.7 OCCC[C@H]1CO1 Amb24661078 [1,0,0,1,0,0|1,0,1]=4 7001 B7R1.14 CP1(=O)CCCO1 Amb22732093 [1,0,0,1,0,0|2,0,0]=4 7002 B7R1.17 CC1(O)CC[C@H]1O Amb25107621 [1,0,0,1,0,0|1,0,1]=4 7003 B7R1.18 CC(=O)C1CCO1 Amb25745997 [1,0,0,1,0,0|1,0,0]=3 7004 B7R1.18 CC(=O)C1CCS1 Amb24105980 [1,0,0,1,0,0|1,1,0]=4 7005 B7R1.18 C[C@H](O)[C@@H]1CCO1 Amb25745486 [1,0,0,1,0,0|1,0,1]=4 7006 B7R1.18 C[C@H](O)[C@H]1CCO1 Amb25256565 [1,0,0,1,0,0|1,0,1]=4 7007 B7R1.18 NC(=O)C1CCN1 Amb22230240 [1,0,0,1,0,0|2,0,0]=4 7008 B7R1.18 NC(=O)C1CCN1 Amb22491865 [1,0,0,1,0,0|2,0,0]=4 7009 B7R1.18 NC(=O)C1CCO1 Amb24478900 [1,0,0,1,0,0|1,0,0]=3 7010 B7R1.18 OC(=O)C1=CCC1 Amb17593068 [1,0,0,1,0,0|1,0,1]=4 7011 B7R1.18 OC(=O)C1CCN1 Amb2371568 [1,0,0,1,0,0|1,0,0]=3 7012 B7R1.18 OC(=O)C1CCO1 Amb2383526 [1,0,0,1,0,0|0,0,0]=2 7013 B7R1.18 OC(=O)C1CNC1 Amb2444164 [1,0,0,1,0,0|2,0,0]=4 7014 B7R1.18 OC(=O)C1CSC1 Amb20171470 [1,0,0,1,0,0|2,0,0]=4 7015 B7R1.19 CC(=O)C1(C)CC1 Amb1161819 [0,0,0,1,1,0|2,0,0]=4 7016 B7R1.19 CC1(C=C1)C(O)=O Amb25042785 [0,0,0,1,1,0|1,0,1]=4 7017 B7R1.19 CC1(CC1)C(N)=O Amb19958822 [0,0,0,1,1,0|2,0,0]=4 7018 B7R1.19 CC1(CC1)C(N)=O Amb22752771 [0,0,0,1,1,0|2,0,0]=4 7019 B7R1.19 CC1(CO1)C(=O)O Amb17593087 [0,0,0,1,1,0|0,0,0]=2 7020 B7R1.19 CC1(CO1)C(N)=O Amb25261467 [0,0,0,1,1,0|1,0,0]=3 7021 B7R1.19 CC1(CS1)C(O)=O Amb24760846 [0,0,0,1,1,0|0,1,0]=3 7022 B7R1.19 C[C@@H](O)[C@]1(C)CO1 Amb24686435 [0,0,0,1,1,0|1,0,1]=4 7023 B7R1.19 C[C@@]1(CO1)C(O)=O Amb25785347 [0,0,0,1,1,0|0,0,0]=2 7024 B7R1.19 C[C@H](O)C1(C)CO1 Amb24719679 [0,0,0,1,1,0|1,0,1]=4 7025 B7R1.19 C[C@H](O)[C@]1(C)CO1 Amb25350322 [0,0,0,1,1,0|1,0,1]=4 7026 B7R1.19 C[C@]1(CO1)C(O)=O Amb25063884 [0,0,0,1,1,0|0,0,0]=2 7027 B7R1.19 ClC(=O)C1(C)CC1 Amb16230812 [0,0,0,1,1,0|2,0,0]=4 7028 B7R1.19 OC(=O)C1(Br)CC1 Amb19888922 [0,0,0,1,1,0|2,0,0]=4 7029 B7R1.19 OC(=O)C1(Cl)CC1 Amb25841916 [0,0,0,1,1,0|2,0,0]=4 7030 B7R1.19 OC(=O)C1(F)CC1 Amb22001836 [0,0,0,1,1,0|2,0,0]=4 7031 B9R1.1 CC1COC(CO1)CO Amb24556857 [0,0,0,1,0,1|1,0,1]=4 7032 B9R1.1 CCC1CNC(=O)CC1 Amb25727228 [0,0,0,1,0,1|2,0,0]=4 7033 B9R1.1 CCC1CNC(=O)CN1 Amb18832614 [0,0,0,1,0,1|2,0,0]=4 7034 B9R1.1 CCC1CNC(=O)CS1 Amb24597647 [0,0,0,1,0,1|2,0,0]=4 7035 B9R1.1 CCC1CNC(=O)OC1 Amb24645209 [0,0,0,1,0,1|1,0,0]=3 7036 B9R1.1 C[C@H]1CO[C@@H](CO1)CO Amb25206642 [0,0,0,1,0,1|1,0,1]=4 7037 B9R1.1 NCC1CCC(=O)CC1 Amb20247631 [0,0,0,1,0,1|2,0,0]=4 7038 B9R1.1 NCC1CNC(=O)CC1 Amb18832607 [0,0,0,1,0,1|2,0,0]=4 7039 B9R1.1 NCC1CNC(=O)CN1 Amb25194789 [0,0,0,1,0,1|2,0,0]=4 7040 B9R1.1 NCC1CNC(=O)CO1 Amb22235660 [0,0,0,1,0,1|2,0,0]=4 7041 B9R1.1 NCC1CNC(=O)CO1 Amb24682214 [0,0,0,1,0,1|2,0,0]=4 7042 B9R1.1 NCC1CNC(=O)CS1 Amb25242244 [0,0,0,1,0,1|2,0,0]=4 7043 B9R1.1 O=C1CCC(CBr)CN1 Amb23597460 [0,0,0,1,0,1|2,0,0]=4 7044 B9R1.1 O=C1CCC(CF)CC1 Amb25217167 [0,0,0,1,0,1|2,0,0]=4 7045 B9R1.1 OC1CCC(CO)SC1 Amb24520392 [0,0,0,1,0,1|1,0,1]=4 7046 B9R1.1 OCC1CCC(=C)CC1 Amb10975464 [0,0,0,1,0,1|2,0,0]=4 7047 B9R1.1 OCC1CCC(=O)CC1 Amb10071596 [0,0,0,1,0,1|1,0,0]=3 7048 B9R1.1 OCC1CCC(=O)CN1 Amb25207554 [0,0,0,1,0,1|1,0,0]=3 7049 B9R1.1 OCC1CCC(CC1)O Amb13883568 [0,0,0,1,0,1|1,0,1]=4 7050 B9R1.1 OCC1CNC(=O)CC1 Amb19958990 [0,0,0,1,0,1|1,0,0]=3 7051 B9R1.1 OCC1CNC(=O)CN1 Amb25187358 [0,0,0,1,0,1|1,0,0]=3 7052 B9R1.1 OCC1CNC(=O)CO1 Amb22236094 [0,0,0,1,0,1|1,0,0]=3 7053 B9R1.1 OCC1CNC(=O)CS1 Amb25374316 [0,0,0,1,0,1|1,0,0]=3 7054 B9R1.1 OCC1CNC(=O)NC1 Amb25291682 [0,0,0,1,0,1|1,0,0]=3 7055 B9R1.1 OCC1CNC(=O)OC1 Amb25247634 [0,0,0,1,0,1|0,0,0]=2 7056 B9R1.1 OC[C@@H]1CNC(=O)CO1 Amb10067153 [0,0,0,1,0,1|1,0,0]=3 7057 B9R1.1 O[C@@H]1CC[C@@H](CO)OC1 Amb25263973 [0,0,0,1,0,1|1,0,1]=4 7058 B9R1.1 O[C@@H]1CC[C@H](CC1)CO Amb25320791 [0,0,0,1,0,1|1,0,1]=4 7059 B9R1.35 CC(=O)C1CC(Br)CO1 Amb24391544 [0,0,0,1,0,1|2,0,0]=4 7060 B9R1.35 CC(=O)N1CC(O)CO1 Amb24372186 [0,0,0,1,0,1|2,0,0]=4 7061 B9R1.35 CC1=CC(SC1)C(=O)O Amb10809142 [0,0,0,1,0,1|0,1,1]=4 7062 B9R1.35 CC1C=CC(O1)C(O)=O Amb18642586 [0,0,0,1,0,1|1,0,1]=4 7063 B9R1.35 CC1C=CC(S1)C(O)=O Amb18644111 [0,0,0,1,0,1|1,0,1]=4 7064 B9R1.35 CC1CC(=CC1)C(O)=O Amb18642398 [0,0,0,1,0,1|1,0,0]=3 7065 B9R1.35 CC1CC(=NO1)C(O)=O Amb25694020 [0,0,0,1,0,1|2,0,0]=4 7066 B9R1.35 CC1CC(CC1)C(N)=O Amb24763749 [0,0,0,1,0,1|2,0,0]=4 7067 B9R1.35 CC1CC(CC1)C(O)=O Amb18642624 [0,0,0,1,0,1|1,0,0]=3 7068 B9R1.35 CC1CC(CN1)C(O)=O Amb18832566 [0,0,0,1,0,1|2,0,0]=4 7069 B9R1.35 CC1CC(N=C1)C(O)=O Amb24650545 [0,0,0,1,0,1|1,0,1]=4 7070 B9R1.35 CC1CCC(=C1)C(O)=O Amb18642397 [0,0,0,1,0,1|1,0,1]=4 7071 B9R1.35 CC1CCC(C1)C(C)=O Amb25077503 [0,0,0,1,0,1|2,0,0]=4 7072 B9R1.35 CC1CCC(N1)C(N)=O Amb18642667 [0,0,0,1,0,1|2,0,0]=4 7073 B9R1.35 CC1CCC(N1)C(O)=O Amb18832572 [0,0,0,1,0,1|1,0,0]=3 7074 B9R1.35 CC1CCC(O1)C(=O)O Amb17593370 [0,0,0,1,0,1|1,0,0]=3 7075 B9R1.35 CC1CCC(O1)C(C)=O Amb24580538 [0,0,0,1,0,1|2,0,0]=4 7076 B9R1.35 CC1CCC(S1)C(O)=O Amb25719281 [0,0,0,1,0,1|1,0,0]=3 7077 B9R1.35 CC1CCC([NH2+]1)C(O)=O Amb22372047 [0,0,0,1,0,1|1,0,0]=3 7078 B9R1.35 CC1CC[C@@H](N1)C(O)=O Amb22748252 [0,0,0,1,0,1|1,0,0]=3 7079 B9R1.35 CC1CC[C@H](N1)C(N)=O Amb24696154 [0,0,0,1,0,1|2,0,0]=4 7080 B9R1.35 CC1CN(CC1)C(N)=O Amb25692037 [0,0,0,1,0,1|2,0,0]=4 7081 B9R1.35 CC1CNC(O1)C(O)=O Amb25737834 [0,0,0,1,0,1|1,0,0]=3 7082 B9R1.35 CC1CSC(=C1)C(O)=O Amb25044433 [0,0,0,1,0,1|0,1,1]=4 7083 B9R1.35 CC1CSC(S1)C(C)=O Amb24676738 [0,0,0,1,0,1|1,1,0]=4 7084 B9R1.35 CC1CSC(S1)C(O)=O Amb24608602 [0,0,0,1,0,1|0,1,0]=3 7085 B9R1.35 CC1C[C@H](N=C1)C(O)=O Amb24394037 [0,0,0,1,0,1|1,0,1]=4 7086 B9R1.35 CC1N[C@@H](CS1)C(=O)O Amb16203706 [0,0,0,1,0,1|2,0,0]=4 7087 B9R1.35 CC=1CCC(N1)C(O)=O Amb23438203 [0,0,0,1,0,1|1,0,1]=4 7088 B9R1.35 CC=1CCC([NH+]1)C(O)=O Amb22372048 [0,0,0,1,0,1|1,0,1]=4 7089 B9R1.35 CC=1C[C@H](ON1)C(O)=O Amb25189709 [0,0,0,1,0,1|1,0,1]=4 7090 B9R1.35 CN1CC(=CC1)C(O)=O Amb25032089 [0,0,0,1,0,1|2,0,0]=4 7091 B9R1.35 CN1CCC(N1)C(O)=O Amb25854311 [0,0,0,1,0,1|2,0,0]=4 7092 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22746030 [0,0,0,1,0,1|2,0,0]=4 7093 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22756448 [0,0,0,1,0,1|2,0,0]=4 7094 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O Amb10843961 [0,0,0,1,0,1|1,0,0]=3 7095 B9R1.35 C[C@@H]1CC[C@@H](N1)C(N)=O Amb24572556 [0,0,0,1,0,1|2,0,0]=4 7096 B9R1.35 C[C@@H]1CC[C@@H](N1)C(O)=O Amb24399449 [0,0,0,1,0,1|1,0,0]=3 7097 B9R1.35 C[C@@H]1CC[C@@H](O1)C(O)=O Amb22886534 [0,0,0,1,0,1|1,0,0]=3 7098 B9R1.35 C[C@@H]1CS[C@H](S1)C(=O)Cl Amb25110654 [0,0,0,1,0,1|1,1,0]=4 7099 B9R1.35 C[C@@H]1C[C@@H](NC1)C(O)=O Amb19887682 [0,0,0,1,0,1|1,0,0]=3 7100 B9R1.35 C[C@@H]1C[C@@H](NC1)C(O)=O Amb23439040 [0,0,0,1,0,1|1,0,0]=3 7101 B9R1.35 C[C@@H]1C[C@@H](ON1)C(O)=O Amb24680946 [0,0,0,1,0,1|1,0,0]=3 7102 B9R1.35 C[C@@H]1C[C@H](NC1)C(O)=O Amb22008683 [0,0,0,1,0,1|1,0,0]=3 7103 B9R1.35 C[C@@H]1C[C@H](NC1)C(O)=O Amb22752452 [0,0,0,1,0,1|1,0,0]=3 7104 B9R1.35 C[C@@H]1N[C@H](CS1)C(O)=O Amb25294278 [0,0,0,1,0,1|2,0,0]=4 7105 B9R1.35 C[C@H]1CC[C@@H](N1)C(O)=O Amb25260830 [0,0,0,1,0,1|1,0,0]=3 7106 B9R1.35 C[C@H]1CC[C@H](C1)C(=O)O Amb10843955 [0,0,0,1,0,1|1,0,0]=3 7107 B9R1.35 C[C@H]1CC[C@H](N1)C(O)=O Amb24598417 [0,0,0,1,0,1|1,0,0]=3 7108 B9R1.35 C[C@H]1CC[C@H](O1)C(O)=O Amb24651587 [0,0,0,1,0,1|1,0,0]=3 7109 B9R1.35 C[C@H]1C[C@@H](CC1)C(N)=O Amb24612116 [0,0,0,1,0,1|2,0,0]=4 7110 B9R1.35 C[C@H]1C[C@@H](NC1)C(O)=O Amb24752952 [0,0,0,1,0,1|1,0,0]=3 7111 B9R1.35 C[C@H]1C[C@H](CN1)C(O)=O Amb24715999 [0,0,0,1,0,1|2,0,0]=4 7112 B9R1.35 C[C@H]1C[C@H](NC1)C(O)=O Amb19888348 [0,0,0,1,0,1|1,0,0]=3 7113 B9R1.35 C[C@H]1N[C@@H](CS1)C(O)=O Amb25347352 [0,0,0,1,0,1|2,0,0]=4 7114 B9R1.35 C[C@H]1O[C@H](CS1)C(O)=O Amb24625718 [0,0,0,1,0,1|2,0,0]=4 7115 B9R1.35 NC(=O)N1CC(O)CO1 Amb25732644 [0,0,0,1,0,1|2,0,0]=4 7116 B9R1.35 NC1CC(=CC1)C(O)=O Amb18642495 [0,0,0,1,0,1|2,0,0]=4 7117 B9R1.35 NC1CC(NC1)C(=O)O Amb10608922 [0,0,0,1,0,1|2,0,0]=4 7118 B9R1.35 NC1CC(OC1)C(O)=O Amb18642828 [0,0,0,1,0,1|1,0,0]=3 7119 B9R1.35 NC1CC(SC1)C(O)=O Amb18831415 [0,0,0,1,0,1|1,1,0]=4 7120 B9R1.35 NC1CCC(C1)C(=O)O Amb10066880 [0,0,0,1,0,1|2,0,0]=4 7121 B9R1.35 NC1COC(=C1)C(O)=O Amb18642690 [0,0,0,1,0,1|1,0,1]=4 7122 B9R1.35 N[C@@H]1CC(=CC1)C(O)=O Amb25143919 [0,0,0,1,0,1|2,0,0]=4 7123 B9R1.35 N[C@@H]1CC(CC1)C(O)=O Amb25700807 [0,0,0,1,0,1|2,0,0]=4 7124 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O Amb10066881 [0,0,0,1,0,1|2,0,0]=4 7125 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O Amb10070446 [0,0,0,1,0,1|2,0,0]=4 7126 B9R1.35 N[C@@H]1C[C@@H](CC1)C(O)=O Amb22746692 [0,0,0,1,0,1|2,0,0]=4 7127 B9R1.35 N[C@@H]1C[C@@H](NC1)C(O)=O Amb22008702 [0,0,0,1,0,1|2,0,0]=4 7128 B9R1.35 N[C@@H]1C[C@@H](OC1)C(O)=O Amb24548389 [0,0,0,1,0,1|1,0,0]=3 7129 B9R1.35 N[C@@H]1C[C@H](CC1)C(O)=O Amb22756038 [0,0,0,1,0,1|2,0,0]=4 7130 B9R1.35 N[C@@H]1C[C@H](NC1)C(=O)O Amb10603131 [0,0,0,1,0,1|2,0,0]=4 7131 B9R1.35 N[C@@H]1C[C@H](NC1)C(O)=O Amb22224945 [0,0,0,1,0,1|2,0,0]=4 7132 B9R1.35 N[C@@H]1C[C@H](OC1)C(O)=O Amb24117069 [0,0,0,1,0,1|1,0,0]=3 7133 B9R1.35 N[C@H]1CC(=CC1)C(O)=O Amb25824589 [0,0,0,1,0,1|2,0,0]=4 7134 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O Amb10066883 [0,0,0,1,0,1|2,0,0]=4 7135 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O Amb10070445 [0,0,0,1,0,1|2,0,0]=4 7136 B9R1.35 N[C@H]1COC(=C1)C(O)=O Amb24640906 [0,0,0,1,0,1|1,0,1]=4 7137 B9R1.35 N[C@H]1C[C@@H](NC1)C(O)=O Amb19515889 [0,0,0,1,0,1|2,0,0]=4 7138 B9R1.35 N[C@H]1C[C@@H](OC1)C(O)=O Amb25691536 [0,0,0,1,0,1|1,0,0]=3 7139 B9R1.35 N[C@H]1C[C@H](NC1)C(=O)O Amb10603136 [0,0,0,1,0,1|2,0,0]=4 7140 B9R1.35 N[C@H]1C[C@H](NC1)C(O)=O Amb22386834 [0,0,0,1,0,1|2,0,0]=4 7141 B9R1.35 N[C@H]1C[C@H](OC1)C(O)=O Amb25799075 [0,0,0,1,0,1|1,0,0]=3 7142 B9R1.35 OC(=O)C1CC(Br)CN1 Amb25239348 [0,0,0,1,0,1|2,0,0]=4 7143 B9R1.35 OC(=O)C1CC(CN1)F Amb10608925 [0,0,0,1,0,1|2,0,0]=4 7144 B9R1.35 OC(=O)C1CC(CN1)S Amb10608928 [0,0,0,1,0,1|2,0,0]=4 7145 B9R1.35 OC(=O)C1CCC(F)C1 Amb22886545 [0,0,0,1,0,1|2,0,0]=4 7146 B9R1.35 OC(=O)C1CCC(F)N1 Amb24423850 [0,0,0,1,0,1|2,0,0]=4 7147 B9R1.35 OC(=O)C1CCC(I)C1 Amb23456141 [0,0,0,1,0,1|2,0,0]=4 7148 B9R1.35 OC(=O)C1C[C@H](F)CN1 Amb24598689 [0,0,0,1,0,1|2,0,0]=4 7149 B9R1.35 OC(=O)C=1CC(O)CN1 Amb25141429 [0,0,0,1,0,1|2,0,0]=4 7150 B9R1.35 OC(=O)[C@@H]1CC(F)CN1 Amb25123838 [0,0,0,1,0,1|2,0,0]=4 7151 B9R1.35 OC(=O)[C@@H]1CCC(F)N1 Amb25032254 [0,0,0,1,0,1|2,0,0]=4 7152 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)Br Amb10603137 [0,0,0,1,0,1|2,0,0]=4 7153 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F Amb10603139 [0,0,0,1,0,1|2,0,0]=4 7154 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)I Amb10603140 [0,0,0,1,0,1|2,0,0]=4 7155 B9R1.35 OC(=O)[C@@H]1C[C@@H](Cl)CN1 Amb24582915 [0,0,0,1,0,1|2,0,0]=4 7156 B9R1.35 OC(=O)[C@@H]1C[C@@H](S)CN1 Amb22831348 [0,0,0,1,0,1|2,0,0]=4 7157 B9R1.35 OC(=O)[C@@H]1C[C@@H](S)CN1 Amb25245369 [0,0,0,1,0,1|2,0,0]=4 7158 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)Br Amb10603132 [0,0,0,1,0,1|2,0,0]=4 7159 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F Amb16232298 [0,0,0,1,0,1|2,0,0]=4 7160 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)I Amb10603134 [0,0,0,1,0,1|2,0,0]=4 7161 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 Amb22757085 [0,0,0,1,0,1|2,0,0]=4 7162 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F Amb10067741 [0,0,0,1,0,1|2,0,0]=4 7163 B9R1.35 OC(=O)[C@H]1C[C@H](CN1)F Amb10839999 [0,0,0,1,0,1|2,0,0]=4 7164 B9R1.35 OC1CCC(C1)C(O)=O Amb21963572 [0,0,0,1,0,1|2,0,0]=4 7165 B9R1.35 OC1CNC(C1)C(=O)O Amb1151287 [0,0,0,1,0,1|2,0,0]=4 7166 B9R1.35 OC1CN[C@@H](C1)C(O)=O Amb25743296 [0,0,0,1,0,1|2,0,0]=4 7167 B9R1.35 OC1COC(C1)C(O)=O Amb18642869 [0,0,0,1,0,1|1,0,0]=3 7168 B9R1.35 OC1CSC(O1)C(=O)O Amb2432252 [0,0,0,1,0,1|1,1,0]=4 7169 B9R1.35 O[C@@H]1CC[C@@H](C1)C(O)=O Amb22746073 [0,0,0,1,0,1|2,0,0]=4 7170 B9R1.35 O[C@@H]1CC[C@H](C1)C(O)=O Amb22746558 [0,0,0,1,0,1|2,0,0]=4 7171 B9R1.35 O[C@@H]1CC[C@H](N1)C(O)=O Amb24515622 [0,0,0,1,0,1|2,0,0]=4 7172 B9R1.35 O[C@@H]1CNC(C1)C(O)=O Amb25118054 [0,0,0,1,0,1|2,0,0]=4 7173 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O Amb22748218 [0,0,0,1,0,1|2,0,0]=4 7174 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O Amb16230723 [0,0,0,1,0,1|2,0,0]=4 7175 B9R1.35 O[C@@H]1CO[C@@H](C1)C(O)=O Amb24501449 [0,0,0,1,0,1|1,0,0]=3 7176 B9R1.35 O[C@@H]1CO[C@H](C1)C(O)=O Amb24501448 [0,0,0,1,0,1|1,0,0]=3 7177 B9R1.35 O[C@@H]1CS[C@H](O1)C(O)=O Amb25288477 [0,0,0,1,0,1|1,1,0]=4 7178 B9R1.35 O[C@H]1CNC(C1)C(O)=O Amb24682710 [0,0,0,1,0,1|2,0,0]=4 7179 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O Amb1994991 [0,0,0,1,0,1|2,0,0]=4 7180 B9R1.46 C=C1CC1NCC(O)=O Amb24402024 [0,0,0,1,0,1|1,0,1]=4 7181 B9R1.46 CC1CC1C#CC(O)=O Amb24390173 [0,0,0,1,0,1|1,0,1]=4 7182 B9R1.46 CC1CC1CNC(C)=O Amb25851867 [0,0,0,1,0,1|2,0,0]=4 7183 B9R1.46 CC1CC1CNC(N)=O Amb25185082 [0,0,0,1,0,1|2,0,0]=4 7184 B9R1.46 CC1CC1NCC(N)=O Amb18990531 [0,0,0,1,0,1|2,0,0]=4 7185 B9R1.46 CC1CC1NCC(O)=O Amb18993215 [0,0,0,1,0,1|1,0,0]=3 7186 B9R1.46 C[C@@H]1C[C@@H]1CCC(C)=O Amb25834668 [0,0,0,1,0,1|2,0,0]=4 7187 B9R1.46 C[C@@H]1C[C@H]1CCC(C)=O Amb25163844 [0,0,0,1,0,1|2,0,0]=4 7188 B9R1.49 CC1CCOC(=O)CC1 Amb24059359 [0,0,0,1,0,1|1,0,0]=3 7189 B9R1.49 CC1CNCC(=O)NC1 Amb25372388 [0,0,0,1,0,1|2,0,0]=4 7190 B9R1.49 CC1COC(=O)NCC1 Amb24393355 [0,0,0,1,0,1|2,0,0]=4 7191 B9R1.49 CC1CSCC(=O)CS1 Amb25024961 [0,0,0,1,0,1|1,1,0]=4 7192 B9R1.49 CN1CCOC(=O)CC1 Amb25376750 [0,0,0,1,0,1|2,0,0]=4 7193 B9R1.49 C[C@H]1CCNC(=O)CC1 Amb25146079 [0,0,0,1,0,1|2,0,0]=4 7194 B9R1.49 NC1CCOC(=O)CC1 Amb23598291 [0,0,0,1,0,1|2,0,0]=4 7195 B9R1.49 NC1CNC(=O)COC1 Amb24532819 [0,0,0,1,0,1|2,0,0]=4 7196 B9R1.49 O=C1CCC(Br)CCO1 Amb25188931 [0,0,0,1,0,1|2,0,0]=4 7197 B9R1.49 O=C1CCC(Cl)CCO1 Amb24480302 [0,0,0,1,0,1|2,0,0]=4 7198 B9R1.49 O=C1CC[C@@H](Cl)CCO1 Amb24518083 [0,0,0,1,0,1|2,0,0]=4 7199 B9R1.49 O=C1CC[C@H](Cl)CCO1 Amb25123845 [0,0,0,1,0,1|2,0,0]=4 7200 B9R1.49 OC1CCOC(=O)CC1 Amb23598292 [0,0,0,1,0,1|2,0,0]=4 7201 B9R1.55 CC1C(CC1C)C(C)=O Amb24476715 [0,0,0,1,0,1|2,0,0]=4 7202 B9R1.55 CC1C(CC1C)C(O)=O Amb23456159 [0,0,0,1,0,1|1,0,0]=3 7203 B9R1.55 C[C@@H]1C[C@@H](C(O)=O)N1C Amb24683087 [0,0,0,1,0,1|2,0,0]=4 7204 B9R1.55 C[C@H]1[C@@H](C[C@H]1C)C(O)=O Amb24745807 [0,0,0,1,0,1|1,0,0]=3 7205 B9R1.55 C[C@H]1[C@H](C[C@@H]1C)C(O)=O Amb24629706 [0,0,0,1,0,1|1,0,0]=3 7206 B9R1.55 N[C@@H]1[C@H](C[C@@H]1O)C(O)=O Amb24514844 [0,0,0,1,0,1|2,0,0]=4 7207 B9R1.67 CC1CCC1CC(O)=O Amb24466547 [0,0,0,1,0,1|1,0,0]=3 7208 B9R1.67 N[C@H]1CC[C@@H]1CC(O)=O Amb24700074 [0,0,0,1,0,1|2,0,0]=4 7209 B9R1.69 CC1CC(=O)CCC1C Amb22732216 [0,0,0,1,0,1|2,0,0]=4 7210 B9R1.69 CC1CCC(=C)CC1O Amb25333669 [0,0,0,1,0,1|2,0,0]=4 7211 B9R1.69 CC1CCC(=O)CC1Br Amb24398782 [0,0,0,1,0,1|2,0,0]=4 7212 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,0,0,1,0,1|0,0,2]=4 7213 B9R1.69 CC1CCC(C)=CC1O Amb25056479 [0,0,0,1,0,1|2,0,0]=4 7214 B9R1.69 CC1CCC(C)OC1O Amb24464497 [0,0,0,1,0,1|1,0,1]=4 7215 B9R1.69 CC1CCC(O)CC1O Amb25847038 [0,0,0,1,0,1|1,0,1]=4 7216 B9R1.69 CC1CNC(=O)CC1C Amb25124566 [0,0,0,1,0,1|2,0,0]=4 7217 B9R1.69 CC1COC(=O)CC1O Amb25781910 [0,0,0,1,0,1|1,0,0]=3 7218 B9R1.69 CC1CSC(=S)NC1O Amb24664187 [0,0,0,1,0,1|1,1,0]=4 7219 B9R1.69 CC1OC(=O)CCC1O Amb24524239 [0,0,0,1,0,1|2,0,0]=4 7220 B9R1.69 CC1OC(=S)NCC1C Amb24477731 [0,0,0,1,0,1|1,1,0]=4 7221 B9R1.69 CC1SCC(=O)NC1C Amb24655776 [0,0,0,1,0,1|2,0,0]=4 7222 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [0,0,0,1,0,1|0,0,2]=4 7223 B9R1.69 CC1SCC(O)CC1O Amb24421524 [0,0,0,1,0,1|1,0,1]=4 7224 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1C Amb22231666 [0,0,0,1,0,1|2,0,0]=4 7225 B9R1.69 C[C@@H]1CC=C(C)O[C@H]1O Amb25236121 [0,0,0,1,0,1|1,0,0]=3 7226 B9R1.69 C[C@@H]1CCC(=C)C[C@H]1O Amb24666635 [0,0,0,1,0,1|2,0,0]=4 7227 B9R1.69 C[C@@H]1CCC(C)=C[C@H]1O Amb25206333 [0,0,0,1,0,1|2,0,0]=4 7228 B9R1.69 C[C@@H]1CNC(=S)N[C@H]1O Amb24713100 [0,0,0,1,0,1|1,1,0]=4 7229 B9R1.69 C[C@@H]1OC(=O)NC[C@H]1Br Amb24571741 [0,0,0,1,0,1|2,0,0]=4 7230 B9R1.69 C[C@@H]1OC(=O)NC[C@H]1C Amb24679479 [0,0,0,1,0,1|1,0,0]=3 7231 B9R1.69 C[C@H]1CC(=O)CC[C@H]1C Amb25363978 [0,0,0,1,0,1|2,0,0]=4 7232 B9R1.69 C[C@H]1CC=C(C)O[C@H]1O Amb25175541 [0,0,0,1,0,1|1,0,0]=3 7233 B9R1.69 C[C@H]1CCC(=O)C[C@@H]1Cl Amb25179045 [0,0,0,1,0,1|2,0,0]=4 7234 B9R1.69 C[C@H]1CCC(=O)C[C@H]1Br Amb25178854 [0,0,0,1,0,1|2,0,0]=4 7235 B9R1.69 C[C@H]1CCC(=O)C[C@H]1Cl Amb25179044 [0,0,0,1,0,1|2,0,0]=4 7236 B9R1.69 C[C@H]1CCC(C)=CC1O Amb24340096 [0,0,0,1,0,1|2,0,0]=4 7237 B9R1.69 C[C@H]1CCC(C)=C[C@H]1O Amb24733593 [0,0,0,1,0,1|2,0,0]=4 7238 B9R1.69 C[C@H]1CNC(=S)N[C@H]1O Amb24516009 [0,0,0,1,0,1|1,1,0]=4 7239 B9R1.69 C[C@H]1COC(=O)C[C@H]1O Amb24516166 [0,0,0,1,0,1|1,0,0]=3 7240 B9R1.69 C[C@H]1COC(O)C[C@@H]1O Amb24646262 [0,0,0,1,0,1|1,0,1]=4 7241 B9R1.69 C[C@H]1OC(=O)CC[C@@H]1O Amb25350343 [0,0,0,1,0,1|2,0,0]=4 7242 B9R1.69 OC1CC(=O)CCC1O Amb24384658 [0,0,0,1,0,1|2,0,0]=4 7243 B9R1.69 OC1CNC(=O)CC1O Amb25090826 [0,0,0,1,0,1|2,0,0]=4 7244 B9R1.69 OC1COC(=O)CC1O Amb25057673 [0,0,0,1,0,1|2,0,0]=4 7245 B9R1.69 O[C@@H]1CNC(=O)C[C@@H]1O Amb24517387 [0,0,0,1,0,1|2,0,0]=4 7246 B9R1.69 O[C@H]1CNC(=O)C[C@H]1O Amb25211306 [0,0,0,1,0,1|2,0,0]=4 7247 B9R1.82 CC(CO)C1CC(=O)N1 Amb24598373 [0,0,0,1,0,1|1,0,0]=3 7248 B9R1.82 CCC(Cl)C1CC(=O)O1 Amb24433017 [0,0,0,1,0,1|2,0,0]=4 7249 B9R1.82 CCC(O)C1CC(=O)O1 Amb24420833 [0,0,0,1,0,1|2,0,0]=4 7250 B9R1.82 C[C@@H](CO)[C@H]1CC(=O)O1 Amb24675614 [0,0,0,1,0,1|0,0,0]=2 7251 B9R1.82 C[C@H](CO)[C@@H]1CC(=O)N1 Amb24517111 [0,0,0,1,0,1|1,0,0]=3 7252 B9R1.82 NC(CO)C1CC(=O)N1 Amb24573644 [0,0,0,1,0,1|2,0,0]=4 7253 B9R1.84 C=C(Br)CSC1COC1 Amb25826605 [0,0,0,1,0,1|2,0,0]=4 7254 B9R1.84 CC(=O)CCC1CCC1 Amb24534447 [0,0,0,1,0,1|2,0,0]=4 7255 B9R1.84 CC(=O)CSC1CCC1 Amb24481902 [0,0,0,1,0,1|2,0,0]=4 7256 B9R1.84 CC(=O)CSC1COC1 Amb25853147 [0,0,0,1,0,1|1,0,0]=3 7257 B9R1.84 CC(O)COC1COC1 Amb23454886 [0,0,0,1,0,1|1,0,1]=4 7258 B9R1.84 C[C@H](O)COC1COC1 Amb24605012 [0,0,0,1,0,1|1,0,1]=4 7259 B9R1.84 NC(=O)CCC1CNC1 Amb24627864 [0,0,0,1,0,1|2,0,0]=4 7260 B9R1.84 NC(=O)CNC1CCC1 Amb18989288 [0,0,0,1,0,1|2,0,0]=4 7261 B9R1.84 NC(=O)COC1CCC1 Amb24714151 [0,0,0,1,0,1|2,0,0]=4 7262 B9R1.84 NC(=O)COC1CNC1 Amb20623915 [0,0,0,1,0,1|2,0,0]=4 7263 B9R1.84 NC(=O)COC1CNC1 Amb22059197 [0,0,0,1,0,1|2,0,0]=4 7264 B9R1.84 NC(=O)OCC1CCC1 Amb24642121 [0,0,0,1,0,1|2,0,0]=4 7265 B9R1.84 O=C(Cl)OCC1CCC1 Amb24551352 [0,0,0,1,0,1|2,0,0]=4 7266 B9R1.84 OC(=O)C=CC1CCC1 Amb20624021 [0,0,0,1,0,1|1,0,1]=4 7267 B9R1.84 OC(=O)CCN1CCC1 Amb22292346 [0,0,0,1,0,1|2,0,0]=4 7268 B9R1.84 OC(=O)CNC1CCC1 Amb18982434 [0,0,0,1,0,1|1,0,0]=3 7269 B9R1.84 OC(=O)CNC1CNC1 Amb25254651 [0,0,0,1,0,1|1,0,0]=3 7270 B9R1.84 OC(=O)CNC1COC1 Amb22737320 [0,0,0,1,0,1|0,0,0]=2 7271 B9R1.84 OC(=O)COC1CCC1 Amb18295877 [0,0,0,1,0,1|1,0,0]=3 7272 B9R1.84 OC(=O)COC1CNC1 Amb24454311 [0,0,0,1,0,1|1,0,0]=3 7273 B9R1.84 OC(=O)COC1COC1 Amb24539538 [0,0,0,1,0,1|0,0,0]=2 7274 B9R1.84 OC(=O)CSC1CCC1 Amb24439698 [0,0,0,1,0,1|1,0,0]=3 7275 B9R1.84 OC(=O)CSC1CNC1 Amb24759226 [0,0,0,1,0,1|1,0,0]=3 7276 B9R1.84 OC(=O)CSC1CSC1 Amb24569012 [0,0,0,1,0,1|0,1,0]=3 7277 B9R1.86 CC(=O)NC1CC1CO Amb25846832 [0,0,0,1,0,1|1,0,0]=3 7278 B9R1.86 CC(C)=CC1CC1CO Amb24684171 [0,0,0,1,0,1|2,0,0]=4 7279 B9R1.86 CC(N)=NC1CC1CO Amb24504882 [0,0,0,1,0,1|2,0,0]=4 7280 B9R1.86 CCC1CC1NC(C)=O Amb25208251 [0,0,0,1,0,1|2,0,0]=4 7281 B9R1.86 CCC1CC1NC(N)=O Amb25208250 [0,0,0,1,0,1|2,0,0]=4 7282 B9R1.86 OC(=O)CC1CC1CBr Amb25269489 [0,0,0,1,0,1|1,0,0]=3 7283 B9R1.86 OC(=O)CN1CC1C=O Amb24078335 [0,0,0,1,0,1|0,0,2]=4 7284 B9R1.95 CC(=O)N1CC(CCl)C1 Amb25332330 [0,0,0,1,0,1|2,0,0]=4 7285 B9R1.95 CCC1CC(=C1)C(O)=O Amb25238748 [0,0,0,1,0,1|1,0,1]=4 7286 B9R1.95 CCC1CC(C1)C(=O)Cl Amb25791521 [0,0,0,1,0,1|2,0,0]=4 7287 B9R1.95 CCC1CC(C1)C(C)=O Amb25046444 [0,0,0,1,0,1|2,0,0]=4 7288 B9R1.95 CCC1CC(C1)C(N)=O Amb25690385 [0,0,0,1,0,1|2,0,0]=4 7289 B9R1.95 CCC1CC(C1)C(O)=O Amb23456004 [0,0,0,1,0,1|1,0,0]=3 7290 B9R1.95 CCN1CC(C1)C(O)=O Amb24117130 [0,0,0,1,0,1|2,0,0]=4 7291 B9R1.95 CC[C@@H]1C[C@@H](C1)C(O)=O Amb25129624 [0,0,0,1,0,1|1,0,0]=3 7292 B9R1.95 CNC1CC(C1)C(O)=O Amb20622656 [0,0,0,1,0,1|2,0,0]=4 7293 B9R1.95 CO[C@@H]1C[C@@H](C1)C(O)=O Amb23440276 [0,0,0,1,0,1|2,0,0]=4 7294 B9R1.95 CO[C@@H]1C[C@H](C1)C(O)=O Amb23440277 [0,0,0,1,0,1|2,0,0]=4 7295 B9R1.95 NC(=O)N1CC(CO)C1 Amb24478714 [0,0,0,1,0,1|1,0,0]=3 7296 B9R1.95 OC(=O)C1CC(C1)=NO Amb23452648 [0,0,0,1,0,1|1,0,1]=4 7297 B9R1.95 OC(=O)C1CC(CBr)C1 Amb19958667 [0,0,0,1,0,1|1,0,0]=3 7298 B9R1.95 OC(=O)[C@H]1C[C@@H](CBr)C1 Amb25116147 [0,0,0,1,0,1|1,0,0]=3 7299 B9R1.95 OCC1CC(C1)C(O)=O Amb22002175 [0,0,0,1,0,1|0,0,0]=2 7300 B9R1.95 OC[C@@H]1C[C@@H](N1)C(O)=O Amb24556421 [0,0,0,1,0,1|0,0,0]=2 7301 B9R1.125 CC1(CBr)CNC(=O)O1 Amb24753177 [0,0,0,1,0,1|1,0,0]=3 7302 B9R1.125 CC1(CBr)CNC(=O)S1 Amb25163395 [0,0,0,1,0,1|1,1,0]=4 7303 B9R1.125 CC1(CCC(=O)O1)C#C Amb25277305 [0,0,0,1,0,1|1,0,1]=4 7304 B9R1.125 CC1(CCl)CNC(=O)C1 Amb24384917 [0,0,0,1,0,1|2,0,0]=4 7305 B9R1.125 CC1(CCl)CNC(=O)S1 Amb25032092 [0,0,0,1,0,1|1,1,0]=4 7306 B9R1.125 CC1(CCl)COC(=O)N1 Amb25793609 [0,0,0,1,0,1|2,0,0]=4 7307 B9R1.125 CC1(CN)CCC(=O)N1 Amb25253003 [0,0,0,1,0,1|2,0,0]=4 7308 B9R1.125 CC1(CN)CNC(=O)C1 Amb24677517 [0,0,0,1,0,1|2,0,0]=4 7309 B9R1.125 CC1(CO)CCC(=O)N1 Amb25796503 [0,0,0,1,0,1|1,0,0]=3 7310 B9R1.125 CC1(CO)CCC(=O)O1 Amb24424055 [0,0,0,1,0,1|0,0,0]=2 7311 B9R1.125 CC1(CO)CNC(=O)C1 Amb22546426 [0,0,0,1,0,1|1,0,0]=3 7312 B9R1.125 CC1(CO)COC(=O)C1 Amb24748377 [0,0,0,1,0,1|1,0,0]=3 7313 B9R1.125 CC1(CO)COC(=S)N1 Amb24695499 [0,0,0,1,0,1|1,1,0]=4 7314 B9R1.125 CC1(CS)COC(=O)N1 Amb24666773 [0,0,0,1,0,1|1,1,0]=4 7315 B9R1.125 CCC1(C)CC(=O)CC1 Amb24706768 [0,0,0,1,0,1|2,0,0]=4 7316 B9R1.125 CCC1(C)CNC(=O)C1 Amb24655544 [0,0,0,1,0,1|2,0,0]=4 7317 B9R1.125 CCC1(C)CNC(=O)O1 Amb25228455 [0,0,0,1,0,1|1,0,0]=3 7318 B9R1.125 CCC1(C)NC(=O)CS1 Amb24452202 [0,0,0,1,0,1|2,0,0]=4 7319 B9R1.125 CC[C@@]1(C)CCC(=O)N1 Amb24356520 [0,0,0,1,0,1|2,0,0]=4 7320 B9R1.125 CC[C@@]1(C)COC(=O)N1 Amb24587770 [0,0,0,1,0,1|2,0,0]=4 7321 B9R1.125 CC[C@]1(C)CC(=O)CC1 Amb25706157 [0,0,0,1,0,1|2,0,0]=4 7322 B9R1.125 CC[C@]1(C)COC(=O)N1 Amb25253542 [0,0,0,1,0,1|2,0,0]=4 7323 B9R1.125 CN1CCC(C)(CO)O1 Amb24632272 [0,0,0,1,0,1|2,0,0]=4 7324 B9R1.125 C[C@@H]1OCC(C)(CO)O1 Amb25221483 [0,0,0,1,0,1|1,0,1]=4 7325 B9R1.125 C[C@@]1(CBr)CCC(=O)O1 Amb24480303 [0,0,0,1,0,1|1,0,0]=3 7326 B9R1.125 C[C@@]1(CBr)CNC(=O)O1 Amb25264424 [0,0,0,1,0,1|1,0,0]=3 7327 B9R1.125 C[C@]1(CBr)CCC(=O)O1 Amb24425525 [0,0,0,1,0,1|1,0,0]=3 7328 B9R1.125 C[C@]1(CCl)CNC(=O)O1 Amb24480106 [0,0,0,1,0,1|1,0,0]=3 7329 B9R1.125 C[C@]1(CO)C=CC(=O)O1 Amb24404816 [0,0,0,1,0,1|0,0,1]=3 7330 B9R1.125 OCC1(O)COC(=O)C1 Amb25271493 [0,0,0,1,0,1|2,0,0]=4 7331 B9R1.127 CC(=C)[C@@H]1O[C@@]1(C)CO Amb25176790 [0,0,0,1,0,1|2,0,0]=4 7332 B9R1.127 CC(=O)C1CC1(C)CCl Amb25141665 [0,0,0,1,0,1|2,0,0]=4 7333 B9R1.127 CC(=O)C1OC1(C)CCl Amb24670937 [0,0,0,1,0,1|2,0,0]=4 7334 B9R1.127 CC(=O)C1OC1(C)CO Amb24662478 [0,0,0,1,0,1|1,0,0]=3 7335 B9R1.127 CC1(CC1C(O)=O)CO Amb24529046 [0,0,0,1,0,1|0,0,0]=2 7336 B9R1.127 CCC1(C)CC1C(N)=O Amb24377068 [0,0,0,1,0,1|2,0,0]=4 7337 B9R1.127 CCC1(C)CC1C(O)=O Amb18285802 [0,0,0,1,0,1|1,0,0]=3 7338 B9R1.127 C[C@@]1(CN)C[C@H]1C(O)=O Amb24517240 [0,0,0,1,0,1|1,0,0]=3 7339 B9R1.127 OC[C@@]1(Cl)C[C@H]1C(O)=O Amb24511974 [0,0,0,1,0,1|1,0,0]=3 7340 B9R1.127 OC[C@]1(Cl)C[C@H]1C(O)=O Amb25201489 [0,0,0,1,0,1|1,0,0]=3 7341 B9R1.133 OCC1CCS(=O)(=O)C1 Amb2548453 [0,0,0,1,0,1|1,0,1]=4 7342 B9R1.147 CC1(CC1)C#CC(O)=O Amb25662631 [0,0,0,1,0,1|1,0,1]=4 7343 B9R1.147 CC1(CCC(O)=O)N=N1 Amb25840850 [0,0,0,1,0,1|2,0,0]=4 7344 B9R1.147 CC1(CNC(N)=O)CC1 Amb24733644 [0,0,0,1,0,1|2,0,0]=4 7345 B9R1.147 NC1(CCC(O)=O)CC1 Amb18832570 [0,0,0,1,0,1|2,0,0]=4 7346 B9R1.185 CC(CO)[C@@H]1C[C@]1(C)O Amb25369390 [0,0,0,1,0,1|1,0,1]=4 7347 B9R1.3 CC1C(O)CCOC1=O Amb24592874 [0,1,0,1,0,0|2,0,0]=4 7348 B9R1.3 CC1CC=CC(=O)C1O Amb24570442 [0,1,0,1,0,0|2,0,0]=4 7349 B9R1.3 CC1CCCC(=O)C1Br Amb24355950 [0,1,0,1,0,0|2,0,0]=4 7350 B9R1.3 CC1CCCC(=O)C1Cl Amb25101122 [0,1,0,1,0,0|2,0,0]=4 7351 B9R1.3 CC1CCNC(=O)C1Cl Amb25339436 [0,1,0,1,0,0|2,0,0]=4 7352 B9R1.3 CC1CCNC(=O)C1N Amb22229171 [0,1,0,1,0,0|2,0,0]=4 7353 B9R1.3 CC1CCOC(=O)C1O Amb25369401 [0,1,0,1,0,0|1,0,0]=3 7354 B9R1.3 CC1CCOC(=O)[C@H]1O Amb25315194 [0,1,0,1,0,0|1,0,0]=3 7355 B9R1.3 CC1[C@H](C)CC=CC1=O Amb25834367 [0,1,0,1,0,0|2,0,0]=4 7356 B9R1.3 C[C@@H]1CCCC(=O)C1Br Amb24726834 [0,1,0,1,0,0|2,0,0]=4 7357 B9R1.3 C[C@@H]1CCCC(=O)[C@H]1Br Amb25211285 [0,1,0,1,0,0|2,0,0]=4 7358 B9R1.3 C[C@@H]1CCCC(=O)[C@H]1C Amb24631628 [0,1,0,1,0,0|2,0,0]=4 7359 B9R1.3 C[C@@H]1CCCC(=O)[C@H]1Cl Amb25238274 [0,1,0,1,0,0|2,0,0]=4 7360 B9R1.3 C[C@H]1CC=CC(=O)[C@H]1O Amb25373144 [0,1,0,1,0,0|2,0,0]=4 7361 B9R1.3 C[C@H]1CCCC(=O)[C@@H]1Br Amb24564319 [0,1,0,1,0,0|2,0,0]=4 7362 B9R1.3 C[C@H]1CCCC(=O)[C@H]1C Amb25179382 [0,1,0,1,0,0|2,0,0]=4 7363 B9R1.3 C[C@H]1CCCC(=O)[C@H]1Cl Amb24545462 [0,1,0,1,0,0|2,0,0]=4 7364 B9R1.3 C[C@H]1CCOC(=O)[C@H]1O Amb25239425 [0,1,0,1,0,0|1,0,0]=3 7365 B9R1.3 OC1CCOC(=O)C1O Amb24735003 [0,1,0,1,0,0|2,0,0]=4 7366 B9R1.37 CC1=C(C)C(=O)OC1O Amb17778789 [0,1,0,1,0,0|0,0,2]=4 7367 B9R1.37 CC1C(Br)C(C)OC1=O Amb24678811 [0,1,0,1,0,0|2,0,0]=4 7368 B9R1.37 CC1C(C)C(O)OC1=O Amb24705671 [0,1,0,1,0,0|0,0,0]=2 7369 B9R1.37 CC1C(C)OC(=O)C1=C Amb24481883 [0,1,0,1,0,0|1,0,1]=4 7370 B9R1.37 CC1C(N)C(=O)OC1=O Amb24549009 [0,1,0,1,0,0|0,0,2]=4 7371 B9R1.37 CC1C(O)C(=O)OC1C Amb24748283 [0,1,0,1,0,0|1,0,0]=3 7372 B9R1.37 CC1C(O)C(C)OC1=O Amb25056081 [0,1,0,1,0,0|2,0,0]=4 7373 B9R1.37 CC1C(O)OC(C)C1Br Amb24443823 [0,1,0,1,0,0|1,0,1]=4 7374 B9R1.37 CC1C(O)OC(C)C1O Amb25854123 [0,1,0,1,0,0|1,0,1]=4 7375 B9R1.37 CC1C=C(O)C(=O)C1C Amb25031643 [0,1,0,1,0,0|1,0,1]=4 7376 B9R1.37 CC1CC(=O)C(=O)C1Cl Amb25756646 [0,1,0,1,0,0|1,0,1]=4 7377 B9R1.37 CC1CC(=O)C(=O)C1O Amb17593338 [0,1,0,1,0,0|0,0,1]=3 7378 B9R1.37 CC1CC(=O)C(C)C1C Amb25829043 [0,1,0,1,0,0|2,0,0]=4 7379 B9R1.37 CC1CC(C)C(O)C1O Amb24413882 [0,1,0,1,0,0|1,0,1]=4 7380 B9R1.37 CC1NC(=O)C(=C)C1O Amb25032289 [0,1,0,1,0,0|2,0,0]=4 7381 B9R1.37 CC1OC(=O)C(=O)C1C Amb24360322 [0,1,0,1,0,0|1,0,1]=4 7382 B9R1.37 CC1OC(=O)C(Br)C1O Amb25695369 [0,1,0,1,0,0|2,0,0]=4 7383 B9R1.37 CC1OC(=O)C(N)C1O Amb25120313 [0,1,0,1,0,0|2,0,0]=4 7384 B9R1.37 CC1OC(=O)C(O)C1O Amb25137171 [0,1,0,1,0,0|1,0,0]=3 7385 B9R1.37 CC1OC(=O)N(C)C1O Amb24502365 [0,1,0,1,0,0|2,0,0]=4 7386 B9R1.37 CC1SC(=O)N(C)C1O Amb25718813 [0,1,0,1,0,0|2,0,0]=4 7387 B9R1.37 CC=1C(=O)O[C@H](O)C1C Amb25853978 [0,1,0,1,0,0|0,0,2]=4 7388 B9R1.37 CC=1C(O)OC(=O)C1Br Amb24099868 [0,1,0,1,0,0|0,0,2]=4 7389 B9R1.37 CC=1C(O)OC(=O)C1Cl Amb24401510 [0,1,0,1,0,0|0,0,2]=4 7390 B9R1.37 C[C@@H]1CC(=O)N(C)C1O Amb25078022 [0,1,0,1,0,0|1,0,0]=3 7391 B9R1.37 C[C@@H]1CN(O)C(=O)[C@@H]1N Amb22747095 [0,1,0,1,0,0|2,0,0]=4 7392 B9R1.37 C[C@@H]1CN(O)C(=O)[C@H]1N Amb24678122 [0,1,0,1,0,0|2,0,0]=4 7393 B9R1.37 C[C@@H]1OC(=O)C(O)=C1O Amb25332813 [0,1,0,1,0,0|1,0,1]=4 7394 B9R1.37 C[C@@H]1OC(=O)C(O)C1O Amb24605729 [0,1,0,1,0,0|1,0,0]=3 7395 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb25261892 [0,1,0,1,0,0|1,0,0]=3 7396 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [0,1,0,1,0,0|1,0,0]=3 7397 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [0,1,0,1,0,0|1,0,0]=3 7398 B9R1.37 C[C@@H]1[C@@H](N)C(=O)O[C@H]1C Amb24575237 [0,1,0,1,0,0|1,0,0]=3 7399 B9R1.37 C[C@@H]1[C@@H](O)C[C@H](O)[C@H]1C Amb24595461 [0,1,0,1,0,0|1,0,1]=4 7400 B9R1.37 C[C@@H]1[C@@H](O)[C@@H](C)OC1=O Amb24686935 [0,1,0,1,0,0|2,0,0]=4 7401 B9R1.37 C[C@@H]1[C@H](N)C(=O)O[C@@H]1C Amb24606913 [0,1,0,1,0,0|1,0,0]=3 7402 B9R1.37 C[C@@H]1[C@H](O)C(=O)O[C@@H]1C Amb24592551 [0,1,0,1,0,0|1,0,0]=3 7403 B9R1.37 C[C@@H]1[C@H](O)[C@@H](C)OC1=O Amb25343889 [0,1,0,1,0,0|2,0,0]=4 7404 B9R1.37 C[C@H]1C=C(O)C(=O)[C@@H]1C Amb24583035 [0,1,0,1,0,0|1,0,1]=4 7405 B9R1.37 C[C@H]1CN(O)C(=O)[C@@H]1N Amb24587752 [0,1,0,1,0,0|2,0,0]=4 7406 B9R1.37 C[C@H]1OC(=N)[C@H](O)[C@@H]1O Amb24515434 [0,1,0,1,0,0|2,0,0]=4 7407 B9R1.37 C[C@H]1OC(=O)C(=C)[C@@H]1O Amb25332246 [0,1,0,1,0,0|2,0,0]=4 7408 B9R1.37 C[C@H]1OC(=O)C(=O)C1C Amb24748953 [0,1,0,1,0,0|1,0,1]=4 7409 B9R1.37 C[C@H]1OC(=O)C(Br)[C@@H]1O Amb25179050 [0,1,0,1,0,0|2,0,0]=4 7410 B9R1.37 C[C@H]1OC(=O)C(O)C1O Amb24527858 [0,1,0,1,0,0|1,0,0]=3 7411 B9R1.37 C[C@H]1OC(=O)[C@@H](N)[C@@H]1O Amb24561377 [0,1,0,1,0,0|2,0,0]=4 7412 B9R1.37 C[C@H]1[C@@H](N)C(=O)O[C@@H]1C Amb25259190 [0,1,0,1,0,0|1,0,0]=3 7413 B9R1.37 C[C@H]1[C@@H](O)[C@H](C)OC1=O Amb24520333 [0,1,0,1,0,0|2,0,0]=4 7414 B9R1.37 C[C@H]1[C@H](C)C(O)ON1C Amb24515172 [0,1,0,1,0,0|2,0,0]=4 7415 B9R1.37 C[C@H]1[C@H](N)C(=O)OC1C Amb24585127 [0,1,0,1,0,0|1,0,0]=3 7416 B9R1.37 C[C@H]1[C@H](O)[C@@H](C)NC1=O Amb25203685 [0,1,0,1,0,0|2,0,0]=4 7417 B9R1.37 C[C@H]1[C@H](O)[C@@H](C)OC1=O Amb25235586 [0,1,0,1,0,0|2,0,0]=4 7418 B9R1.37 C[C@H]1[C@H](O)[C@H](C)OC1=O Amb25176668 [0,1,0,1,0,0|2,0,0]=4 7419 B9R1.37 OC1OC(=O)C(=O)C1Cl Amb24480000 [0,1,0,1,0,0|1,0,1]=4 7420 B9R1.37 OC1OC(=O)C(Br)C1Br Amb21811590 [0,1,0,1,0,0|1,0,0]=3 7421 B9R1.37 OC1OC(=O)C(O)C1O Amb24419120 [0,1,0,1,0,0|1,0,0]=3 7422 B9R1.41 CC(=O)[C@H]1OCC[C@@H]1Cl Amb25232993 [0,1,0,1,0,0|2,0,0]=4 7423 B9R1.41 CC1=CCSC1C(O)=O Amb25801334 [0,1,0,1,0,0|0,1,1]=4 7424 B9R1.41 CC1C=CCC1C(O)=O Amb25304598 [0,1,0,1,0,0|1,0,1]=4 7425 B9R1.41 CC1CCCC1C(=O)C Amb17593321 [0,1,0,1,0,0|2,0,0]=4 7426 B9R1.41 CC1CCCC1C(N)=O Amb24680775 [0,1,0,1,0,0|2,0,0]=4 7427 B9R1.41 CC1CCNC1C(O)=O Amb22496299 [0,1,0,1,0,0|1,0,0]=3 7428 B9R1.41 CC1CCN[C@@H]1C(O)=O Amb25786199 [0,1,0,1,0,0|1,0,0]=3 7429 B9R1.41 CC1CCOC1C(C)O Amb24332228 [0,1,0,1,0,0|1,0,1]=4 7430 B9R1.41 CC1CCOC1C(N)=O Amb25107757 [0,1,0,1,0,0|1,0,0]=3 7431 B9R1.41 CC1CCOC1C(O)=O Amb20668280 [0,1,0,1,0,0|0,0,0]=2 7432 B9R1.41 CC1COCC1C(O)=O Amb25326733 [0,1,0,1,0,0|0,0,0]=2 7433 B9R1.41 CC1NCCC1C(C)=O Amb24393053 [0,1,0,1,0,0|2,0,0]=4 7434 B9R1.41 CC1NCCC1C(O)=O Amb18118138 [0,1,0,1,0,0|1,0,0]=3 7435 B9R1.41 CC1OCCC1C(=O)Cl Amb24334543 [0,1,0,1,0,0|2,0,0]=4 7436 B9R1.41 CC1OCCC1C(O)=O Amb22059743 [0,1,0,1,0,0|1,0,0]=3 7437 B9R1.41 CC1OCNC1C(O)=O Amb24564435 [0,1,0,1,0,0|1,0,0]=3 7438 B9R1.41 CC1SC=NC1C(O)=O Amb24419416 [0,1,0,1,0,0|1,0,1]=4 7439 B9R1.41 CC1SCCC1C(C)=O Amb25218259 [0,1,0,1,0,0|2,0,0]=4 7440 B9R1.41 CN1CC=CC1C(=O)O Amb15701264 [0,1,0,1,0,0|2,0,0]=4 7441 B9R1.41 CN1CC=CC1C(O)=O Amb22587153 [0,1,0,1,0,0|2,0,0]=4 7442 B9R1.41 CN1CCC[C@@H]1C(O)=O Amb17935722 [0,1,0,1,0,0|2,0,0]=4 7443 B9R1.41 CN1CCC[C@@H]1C(O)=O Amb18559228 [0,1,0,1,0,0|2,0,0]=4 7444 B9R1.41 CN1CCC[C@@H]1C(O)=O Amb22748316 [0,1,0,1,0,0|2,0,0]=4 7445 B9R1.41 CN1CCC[C@H]1C(=O)O Amb10604041 [0,1,0,1,0,0|2,0,0]=4 7446 B9R1.41 CN1CCC[C@H]1C(O)=O Amb22587172 [0,1,0,1,0,0|2,0,0]=4 7447 B9R1.41 CN1CSCC1C(O)=O Amb19650934 [0,1,0,1,0,0|1,1,0]=4 7448 B9R1.41 CN1CSCC1C(O)=O Amb21959971 [0,1,0,1,0,0|1,1,0]=4 7449 B9R1.41 CN1CSC[C@H]1C(=O)O Amb10608462 [0,1,0,1,0,0|1,1,0]=4 7450 B9R1.41 CN1CSC[C@H]1C(O)=O Amb22587250 [0,1,0,1,0,0|1,1,0]=4 7451 B9R1.41 C[C@@H]1CCC[C@@H]1C(=O)O Amb10843957 [0,1,0,1,0,0|1,0,0]=3 7452 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O Amb10843949 [0,1,0,1,0,0|1,0,0]=3 7453 B9R1.41 C[C@@H]1CCC[C@H]1C(C)=O Amb24692616 [0,1,0,1,0,0|2,0,0]=4 7454 B9R1.41 C[C@@H]1CCC[C@H]1C(N)=O Amb24598612 [0,1,0,1,0,0|2,0,0]=4 7455 B9R1.41 C[C@@H]1CCN[C@H]1C(O)=O Amb22747259 [0,1,0,1,0,0|1,0,0]=3 7456 B9R1.41 C[C@@H]1CCO[C@@H]1C(O)=O Amb25251332 [0,1,0,1,0,0|0,0,0]=2 7457 B9R1.41 C[C@@H]1CNC[C@H]1C(N)=O Amb25319543 [0,1,0,1,0,0|2,0,0]=4 7458 B9R1.41 C[C@@H]1COC[C@@H]1C(O)=O Amb24649146 [0,1,0,1,0,0|0,0,0]=2 7459 B9R1.41 C[C@@H]1NCC[C@H]1C(O)=O Amb18832568 [0,1,0,1,0,0|1,0,0]=3 7460 B9R1.41 C[C@@H]1OCC[C@@H]1C(O)=O Amb22886528 [0,1,0,1,0,0|1,0,0]=3 7461 B9R1.41 C[C@@H]1SCN[C@@H]1C(O)=O Amb24514827 [0,1,0,1,0,0|1,0,0]=3 7462 B9R1.41 C[C@@H]1SCN[C@H]1C(O)=O Amb24670517 [0,1,0,1,0,0|1,0,0]=3 7463 B9R1.41 C[C@H]1C=CC[C@@H]1C(O)=O Amb25180008 [0,1,0,1,0,0|1,0,1]=4 7464 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O Amb10843959 [0,1,0,1,0,0|1,0,0]=3 7465 B9R1.41 C[C@H]1CCC[C@H]1C(=O)O Amb10843950 [0,1,0,1,0,0|1,0,0]=3 7466 B9R1.41 C[C@H]1CCN[C@@H]1C(N)=O Amb25174509 [0,1,0,1,0,0|2,0,0]=4 7467 B9R1.41 C[C@H]1CCN[C@H]1C(O)=O Amb24715733 [0,1,0,1,0,0|1,0,0]=3 7468 B9R1.41 C[C@H]1CNCC1C(O)=O Amb24546979 [0,1,0,1,0,0|1,0,0]=3 7469 B9R1.41 C[C@H]1COC[C@@H]1C(C)=O Amb24645383 [0,1,0,1,0,0|1,0,0]=3 7470 B9R1.41 C[C@H]1NCC[C@@H]1C(O)=O Amb24539923 [0,1,0,1,0,0|1,0,0]=3 7471 B9R1.41 C[C@H]1OCC[C@H]1C(O)=O Amb25253338 [0,1,0,1,0,0|1,0,0]=3 7472 B9R1.41 C[C@H]1SCN[C@@H]1C(O)=O Amb24539832 [0,1,0,1,0,0|1,0,0]=3 7473 B9R1.41 C[S+]1CCCC1C(O)=O Amb24634112 [0,1,0,1,0,0|2,0,0]=4 7474 B9R1.41 NC1CCN[C@@H]1C(O)=O Amb25032243 [0,1,0,1,0,0|2,0,0]=4 7475 B9R1.41 NC1CCSC1C(O)=O Amb25314364 [0,1,0,1,0,0|1,1,0]=4 7476 B9R1.41 NC1COCC1C(N)=O Amb25129487 [0,1,0,1,0,0|2,0,0]=4 7477 B9R1.41 NC1COCC1C(O)=O Amb24709230 [0,1,0,1,0,0|1,0,0]=3 7478 B9R1.41 NC1CSCC1C(O)=O Amb24457278 [0,1,0,1,0,0|1,1,0]=4 7479 B9R1.41 NC1OCCC1C(O)=O Amb24441640 [0,1,0,1,0,0|2,0,0]=4 7480 B9R1.41 N[C@@H]1CCC[C@H]1C(O)=O Amb20241297 [0,1,0,1,0,0|2,0,0]=4 7481 B9R1.41 N[C@@H]1CCC[C@H]1C(O)=O Amb22224830 [0,1,0,1,0,0|2,0,0]=4 7482 B9R1.41 N[C@@H]1CCN[C@@H]1C(O)=O Amb19929517 [0,1,0,1,0,0|2,0,0]=4 7483 B9R1.41 N[C@@H]1CCS[C@H]1C(O)=O Amb24061395 [0,1,0,1,0,0|1,1,0]=4 7484 B9R1.41 N[C@@H]1CNC[C@@H]1C(O)=O Amb25685466 [0,1,0,1,0,0|2,0,0]=4 7485 B9R1.41 N[C@@H]1COC[C@@H]1C(O)=O Amb24078777 [0,1,0,1,0,0|1,0,0]=3 7486 B9R1.41 N[C@@H]1CSC[C@@H]1C(O)=O Amb25685470 [0,1,0,1,0,0|1,1,0]=4 7487 B9R1.41 N[C@@H]1OCC[C@@H]1C(O)=O Amb24581227 [0,1,0,1,0,0|2,0,0]=4 7488 B9R1.41 N[C@H]1CCC[C@@H]1C(O)=O Amb20241298 [0,1,0,1,0,0|2,0,0]=4 7489 B9R1.41 N[C@H]1CCC[C@@H]1C(O)=O Amb22224860 [0,1,0,1,0,0|2,0,0]=4 7490 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993719 [0,1,0,1,0,0|2,0,0]=4 7491 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993764 [0,1,0,1,0,0|2,0,0]=4 7492 B9R1.41 N[C@H]1CCS[C@H]1C(O)=O Amb24061394 [0,1,0,1,0,0|1,1,0]=4 7493 B9R1.41 N[C@H]1CNC[C@H]1C(O)=O Amb24628081 [0,1,0,1,0,0|2,0,0]=4 7494 B9R1.41 N[C@H]1COC[C@@H]1C(O)=O Amb24605467 [0,1,0,1,0,0|1,0,0]=3 7495 B9R1.41 N[C@H]1COC[C@H]1C(O)=O Amb24763623 [0,1,0,1,0,0|1,0,0]=3 7496 B9R1.41 OC(=O)C1CCCC1Br Amb24480063 [0,1,0,1,0,0|2,0,0]=4 7497 B9R1.41 OC(=O)C1CCCC1S Amb18280971 [0,1,0,1,0,0|2,0,0]=4 7498 B9R1.41 OC(=O)C1NCCC1Br Amb24694082 [0,1,0,1,0,0|2,0,0]=4 7499 B9R1.41 OC(=O)C1NCCC1Cl Amb25080543 [0,1,0,1,0,0|2,0,0]=4 7500 B9R1.41 OC(=O)C1NCCC1F Amb25772909 [0,1,0,1,0,0|2,0,0]=4 7501 B9R1.41 OC(=O)C1NCCC1S Amb24556940 [0,1,0,1,0,0|2,0,0]=4 7502 B9R1.41 OC(=O)C1OCCC1Cl Amb25124121 [0,1,0,1,0,0|1,0,0]=3 7503 B9R1.41 OC(=O)[C@H]1CCC[C@@H]1Br Amb25251282 [0,1,0,1,0,0|2,0,0]=4 7504 B9R1.41 OC(=O)[C@H]1CCC[C@H]1Br Amb24693868 [0,1,0,1,0,0|2,0,0]=4 7505 B9R1.41 OC(=O)[C@H]1NCCC1F Amb25312348 [0,1,0,1,0,0|2,0,0]=4 7506 B9R1.41 OC(=O)[C@H]1NCC[C@@H]1S Amb24548407 [0,1,0,1,0,0|2,0,0]=4 7507 B9R1.41 OC1CCCC1C(O)=O Amb19148040 [0,1,0,1,0,0|2,0,0]=4 7508 B9R1.41 OC1CCNC1C(O)=O Amb22387784 [0,1,0,1,0,0|2,0,0]=4 7509 B9R1.41 OC1CCN[C@@H]1C(=O)O Amb10604192 [0,1,0,1,0,0|2,0,0]=4 7510 B9R1.41 OC1CCN[C@H]1C(O)=O Amb24359065 [0,1,0,1,0,0|2,0,0]=4 7511 B9R1.41 OC1CCSC1C(O)=O Amb24061424 [0,1,0,1,0,0|1,1,0]=4 7512 B9R1.41 OC1CNCC1C(O)=O Amb22886381 [0,1,0,1,0,0|2,0,0]=4 7513 B9R1.41 OC1CSCC1C(O)=O Amb18831363 [0,1,0,1,0,0|1,1,0]=4 7514 B9R1.41 O[C@@H]1CCC[C@@H]1C(O)=O Amb22747315 [0,1,0,1,0,0|2,0,0]=4 7515 B9R1.41 O[C@@H]1CCC[C@H]1C(O)=O Amb24120349 [0,1,0,1,0,0|2,0,0]=4 7516 B9R1.41 O[C@@H]1CCN[C@@H]1C(O)=O Amb22746928 [0,1,0,1,0,0|2,0,0]=4 7517 B9R1.41 O[C@@H]1CCN[C@@H]1C(O)=O Amb23439285 [0,1,0,1,0,0|2,0,0]=4 7518 B9R1.41 O[C@@H]1CCN[C@@H]1C(O)=O Amb24183503 [0,1,0,1,0,0|2,0,0]=4 7519 B9R1.41 O[C@@H]1CCN[C@H]1C(O)=O Amb22746713 [0,1,0,1,0,0|2,0,0]=4 7520 B9R1.41 O[C@@H]1CCN[C@H]1C(O)=O Amb24183557 [0,1,0,1,0,0|2,0,0]=4 7521 B9R1.41 O[C@@H]1CNC[C@H]1C(O)=O Amb24120417 [0,1,0,1,0,0|2,0,0]=4 7522 B9R1.41 O[C@H]1CCC[C@H]1C(=O)O Amb10844853 [0,1,0,1,0,0|2,0,0]=4 7523 B9R1.41 O[C@H]1CCN[C@@H]1C(O)=O Amb24055327 [0,1,0,1,0,0|2,0,0]=4 7524 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O Amb22230426 [0,1,0,1,0,0|2,0,0]=4 7525 B9R1.41 O[C@H]1CNC[C@H]1C(O)=O Amb22274552 [0,1,0,1,0,0|2,0,0]=4 7526 B9R1.45 C=C1CC1C(N)C(O)=O Amb24117258 [0,1,0,1,0,0|1,0,1]=4 7527 B9R1.45 CC(C1CC1C)C(C)=O Amb24529060 [0,1,0,1,0,0|2,0,0]=4 7528 B9R1.45 CC(C1CC1C)C(O)=O Amb25708709 [0,1,0,1,0,0|1,0,0]=3 7529 B9R1.45 CC(C1OC1C)C(C)O Amb24685231 [0,1,0,1,0,0|1,0,1]=4 7530 B9R1.45 CC1CC1C(=O)C(O)=O Amb24760671 [0,1,0,1,0,0|1,0,1]=4 7531 B9R1.45 C[C@@H]([C@H]1O[C@H]1C)[C@H](C)O Amb25175538 [0,1,0,1,0,0|1,0,1]=4 7532 B9R1.45 C[C@H]([C@H]1O[C@H]1C)[C@@H](C)O Amb25215123 [0,1,0,1,0,0|1,0,1]=4 7533 B9R1.45 NC([C@H]1C[C@@H]1N)C(O)=O Amb25245366 [0,1,0,1,0,0|1,0,0]=3 7534 B9R1.81 CC1CCC1C(=O)CC Amb24614007 [0,1,0,1,0,0|2,0,0]=4 7535 B9R1.81 CC1CCC1C(=O)OC Amb25110041 [0,1,0,1,0,0|1,0,0]=3 7536 B9R1.81 COC(=O)C1=CCC1C Amb25335471 [0,1,0,1,0,0|1,0,1]=4 7537 B9R1.81 COC(=O)C1CCC1N Amb25363640 [0,1,0,1,0,0|2,0,0]=4 7538 B9R1.81 COC(=O)C1CCC1O Amb24448430 [0,1,0,1,0,0|2,0,0]=4 7539 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb22232595 [0,1,0,1,0,0|2,0,0]=4 7540 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb23439308 [0,1,0,1,0,0|2,0,0]=4 7541 B9R1.81 COC(=O)[C@@H]1CC[C@H]1Cl Amb24635677 [0,1,0,1,0,0|2,0,0]=4 7542 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N Amb25261158 [0,1,0,1,0,0|2,0,0]=4 7543 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Amb22232608 [0,1,0,1,0,0|2,0,0]=4 7544 B9R1.81 COC(=O)[C@H]1NC[C@H]1O Amb24573017 [0,1,0,1,0,0|2,0,0]=4 7545 B9R1.81 C[C@H]1CC[C@H]1C(=O)OC Amb24559896 [0,1,0,1,0,0|1,0,0]=3 7546 B9R1.93 C#CC1CC1(N)C(O)=O Amb23456002 [0,1,0,1,0,0|1,0,1]=4 7547 B9R1.93 C=C[C@@H]1C[C@]1(N)C(O)=O Amb22744970 [0,1,0,1,0,0|1,0,1]=4 7548 B9R1.93 C=C[C@H]1C[C@]1(N)C(O)=O Amb25105090 [0,1,0,1,0,0|1,0,1]=4 7549 B9R1.93 CC(=C)C1(C)CC1CO Amb25306505 [0,1,0,1,0,0|2,0,0]=4 7550 B9R1.93 CC(=O)C1(Br)CC1CO Amb24593916 [0,1,0,1,0,0|1,0,0]=3 7551 B9R1.93 CC1(CC1CN)C(O)=O Amb24550226 [0,1,0,1,0,0|1,0,0]=3 7552 B9R1.93 CC1(CC1CO)C(O)=O Amb24559345 [0,1,0,1,0,0|0,0,0]=2 7553 B9R1.93 CC1(OC1CO)C(O)=O Amb24746000 [0,1,0,1,0,0|1,0,0]=3 7554 B9R1.93 CCC1CC1(C)C(C)=O Amb24443160 [0,1,0,1,0,0|2,0,0]=4 7555 B9R1.93 CCC1CC1(N)C(O)=O Amb24655862 [0,1,0,1,0,0|1,0,0]=3 7556 B9R1.93 CCC1OC1(C)C(O)=O Amb25843946 [0,1,0,1,0,0|2,0,0]=4 7557 B9R1.93 CC[C@@H]1CC1(N)C(O)=O Amb25104706 [0,1,0,1,0,0|1,0,0]=3 7558 B9R1.93 CC[C@@H]1C[C@@]1(C)C(C)=O Amb24564910 [0,1,0,1,0,0|2,0,0]=4 7559 B9R1.93 CC[C@@H]1C[C@@]1(N)C(O)=O Amb23452849 [0,1,0,1,0,0|1,0,0]=3 7560 B9R1.93 CC[C@@H]1C[C@@]1(O)C(O)=O Amb25377855 [0,1,0,1,0,0|1,0,0]=3 7561 B9R1.93 CC[C@@H]1C[C@]1(N)C(O)=O Amb23452884 [0,1,0,1,0,0|1,0,0]=3 7562 B9R1.93 C[C@]1(C[C@@H]1CN)C(O)=O Amb25339704 [0,1,0,1,0,0|1,0,0]=3 7563 B9R1.93 NC1(CC1C=C)C(=O)O Amb10068409 [0,1,0,1,0,0|1,0,1]=4 7564 B9R1.93 NC1(CC1CO)C(O)=O Amb25828351 [0,1,0,1,0,0|0,0,0]=2 7565 B9R1.93 NC[C@@H]1C[C@@]1(N)C(O)=O Amb24763621 [0,1,0,1,0,0|1,0,0]=3 7566 B9R1.93 N[C@@]1(C[C@H]1CO)C(O)=O Amb25101898 [0,1,0,1,0,0|0,0,0]=2 7567 B9R1.93 N[C@]1(C[C@@H]1CO)C(O)=O Amb24581240 [0,1,0,1,0,0|0,0,0]=2 7568 B9R1.93 OC(=O)C1(Cl)CC1CCl Amb24404084 [0,1,0,1,0,0|1,0,0]=3 7569 B9R1.96 CCC1CCC1C(O)=O Amb25727014 [0,1,0,1,0,0|1,0,0]=3 7570 B9R1.96 CCN1CCC1C(O)=O Amb22011877 [0,1,0,1,0,0|2,0,0]=4 7571 B9R1.96 CCN1CC[C@@H]1C(O)=O Amb24634744 [0,1,0,1,0,0|2,0,0]=4 7572 B9R1.96 CCN1CC[C@H]1C(O)=O Amb25347394 [0,1,0,1,0,0|2,0,0]=4 7573 B9R1.96 CNC1CCC1C(O)=O Amb25340658 [0,1,0,1,0,0|1,0,0]=3 7574 B9R1.96 CSC1CCC1C(O)=O Amb25118114 [0,1,0,1,0,0|1,0,0]=3 7575 B9R1.96 C\C=C/1\CNC1C(O)=O Amb25338611 [0,1,0,1,0,0|1,0,1]=4 7576 B9R1.96 C\C=C\1/CN[C@@H]1C(O)=O Amb25075476 [0,1,0,1,0,0|1,0,1]=4 7577 B9R1.96 NCC1CCC1C(O)=O Amb25269589 [0,1,0,1,0,0|1,0,0]=3 7578 B9R1.96 NC[C@H]1CC[C@H]1C(O)=O Amb24579352 [0,1,0,1,0,0|1,0,0]=3 7579 B9R1.96 OC(=O)C1CCC1C=O Amb25302625 [0,1,0,1,0,0|0,0,2]=4 7580 B9R1.96 OC(=O)C1CCC1CF Amb20667674 [0,1,0,1,0,0|1,0,0]=3 7581 B9R1.96 OCC1CCC1C(O)=O Amb24340315 [0,1,0,1,0,0|0,0,0]=2 7582 B9R1.96 OCC1CCN1C(O)=O Amb22756926 [0,1,0,1,0,0|1,0,0]=3 7583 B9R1.96 ONC1CCC1C(O)=O Amb24471809 [0,1,0,1,0,0|1,0,0]=3 7584 B9R1.96 [O-]C(=O)[C@H]1CC[C@H]1CO Amb25176734 [0,1,0,1,0,0|0,0,1]=3 7585 B9R1.110 CC(=O)C(N)C1CCC1 Amb25062195 [0,1,0,1,0,0|2,0,0]=4 7586 B9R1.110 CC(C(=O)O)C1CCC1 Amb17087517 [0,1,0,1,0,0|1,0,0]=3 7587 B9R1.110 CC(C(O)=O)N1CCC1 Amb24178905 [0,1,0,1,0,0|2,0,0]=4 7588 B9R1.110 CC(C1CNC1)C(C)=O Amb24673466 [0,1,0,1,0,0|2,0,0]=4 7589 B9R1.110 CC(C1CSC1)C(O)=O Amb25200790 [0,1,0,1,0,0|0,1,0]=3 7590 B9R1.110 C[C@@H](C1CCC1)C(O)=O Amb22748271 [0,1,0,1,0,0|1,0,0]=3 7591 B9R1.110 C[C@H](C1CCC1)C(O)=O Amb24360449 [0,1,0,1,0,0|1,0,0]=3 7592 B9R1.110 NC(C1CCC1)C(O)=O Amb19149365 [0,1,0,1,0,0|1,0,0]=3 7593 B9R1.110 NC(C1CCC1)C(O)=O Amb21858491 [0,1,0,1,0,0|1,0,0]=3 7594 B9R1.110 NC(C1CCC1)P(O)=O Amb25721258 [0,1,0,1,0,0|2,0,0]=4 7595 B9R1.110 NC(C1COC1)C(O)=O Amb22405987 [0,1,0,1,0,0|0,0,0]=2 7596 B9R1.110 NC(C1CSC1)C(N)=O Amb25287406 [0,1,0,1,0,0|1,1,0]=4 7597 B9R1.110 N[C@@H](C1CCC1)C(N)=O Amb24476623 [0,1,0,1,0,0|2,0,0]=4 7598 B9R1.110 N[C@@H](C1COC1)C(O)=O Amb22737551 [0,1,0,1,0,0|0,0,0]=2 7599 B9R1.110 N[C@H](C1COC1)C(O)=O Amb22737550 [0,1,0,1,0,0|0,0,0]=2 7600 B9R1.110 O=C(Cl)C(Br)C1CCC1 Amb24598080 [0,1,0,1,0,0|2,0,0]=4 7601 B9R1.110 O=C(Cl)C(Cl)C1CCC1 Amb25362548 [0,1,0,1,0,0|2,0,0]=4 7602 B9R1.110 OC(=O)C(=O)C1CCC1 Amb19958875 [0,1,0,1,0,0|1,0,1]=4 7603 B9R1.110 OC(=O)C(F)C1CNC1 Amb25110697 [0,1,0,1,0,0|1,0,0]=3 7604 B9R1.110 OC(C1CCC1)C(O)=O Amb24426901 [0,1,0,1,0,0|1,0,0]=3 7605 B9R1.110 OC(C1CNC1)C(O)=O Amb24339989 [0,1,0,1,0,0|1,0,0]=3 7606 B9R1.110 OC(C1CSC1)C(O)=O Amb24759238 [0,1,0,1,0,0|0,1,0]=3 7607 B9R1.111 CC(=C)[C@@H](O)[C@]1(C)CO1 Amb25316224 [0,1,0,1,0,0|2,0,0]=4 7608 B9R1.111 CC(=C)[C@H](O)C1(C)CO1 Amb25806734 [0,1,0,1,0,0|2,0,0]=4 7609 B9R1.111 CC(C(C)=O)C1(C)CC1 Amb24736134 [0,1,0,1,0,0|2,0,0]=4 7610 B9R1.111 CC(C(O)=O)C1(C)CC1 Amb18832624 [0,1,0,1,0,0|1,0,0]=3 7611 B9R1.111 CC(C(O)=O)C1(N)CC1 Amb18832571 [0,1,0,1,0,0|2,0,0]=4 7612 B9R1.111 CC(O)C(O)C1(C)CO1 Amb25687611 [0,1,0,1,0,0|1,0,1]=4 7613 B9R1.111 CC(O)[C@H](O)[C@]1(C)CO1 Amb25215358 [0,1,0,1,0,0|1,0,1]=4 7614 B9R1.111 CC1(CC1)C(N)C(O)=O Amb25146159 [0,1,0,1,0,0|1,0,0]=3 7615 B9R1.111 CC1(CC1)[C@@H](N)C(O)=O Amb23439674 [0,1,0,1,0,0|1,0,0]=3 7616 B9R1.111 CC1(CO1)C(=O)C(O)=O Amb25803495 [0,1,0,1,0,0|0,0,1]=3 7617 B9R1.111 CC1(CO1)C(O)C(O)=O Amb24590009 [0,1,0,1,0,0|0,0,0]=2 7618 B9R1.111 C[C@@H](O)[C@H](O)[C@]1(C)CO1 Amb25218884 [0,1,0,1,0,0|1,0,1]=4 7619 B9R1.111 C[C@H](O)[C@H](O)[C@]1(C)CO1 Amb24574052 [0,1,0,1,0,0|1,0,1]=4 7620 B9R1.111 C[C@]1(CO1)C(=O)C(O)=O Amb24681893 [0,1,0,1,0,0|0,0,1]=3 7621 B9R1.111 C[C@]1(CO1)[C@H](O)C(O)=O Amb25174908 [0,1,0,1,0,0|0,0,0]=2 7622 B9R1.111 N[C@@H](C(O)=O)C1(O)CC1 Amb22751391 [0,1,0,1,0,0|2,0,0]=4 7623 B9R1.111 N[C@H](C(O)=O)C1(O)CC1 Amb24117270 [0,1,0,1,0,0|2,0,0]=4 7624 B9R1.132 C=C1C(CO)CCC1=O Amb24723765 [0,1,0,1,0,0|1,0,1]=4 7625 B9R1.132 CC1=C(CO)COC1=O Amb24398034 [0,1,0,1,0,0|0,0,2]=4 7626 B9R1.132 CC1C(CNC1=O)CC Amb24395523 [0,1,0,1,0,0|2,0,0]=4 7627 B9R1.132 CC1C(CO)CNC1=O Amb25142911 [0,1,0,1,0,0|1,0,0]=3 7628 B9R1.132 CC1[C@@H](CO)CNC1=O Amb24724590 [0,1,0,1,0,0|1,0,0]=3 7629 B9R1.132 CCC1CCC(=O)C1Br Amb25363275 [0,1,0,1,0,0|2,0,0]=4 7630 B9R1.132 CCC1CNC(=O)C1N Amb25732553 [0,1,0,1,0,0|2,0,0]=4 7631 B9R1.132 CC[C@@H]1CNC(=O)[C@@H]1N Amb24603686 [0,1,0,1,0,0|2,0,0]=4 7632 B9R1.132 CC[C@@H]1COC(=O)N1C Amb25736752 [0,1,0,1,0,0|2,0,0]=4 7633 B9R1.132 CC[C@H]1CCC(=O)[C@H]1Br Amb25249103 [0,1,0,1,0,0|2,0,0]=4 7634 B9R1.132 CN1C(CO)COC1=O Amb22504497 [0,1,0,1,0,0|1,0,0]=3 7635 B9R1.132 CN1[C@@H](CO)CCC1=O Amb25032258 [0,1,0,1,0,0|2,0,0]=4 7636 B9R1.132 CN1[C@H](CO)CCC1=O Amb25147115 [0,1,0,1,0,0|2,0,0]=4 7637 B9R1.132 CO[C@@H]1COC(=O)[C@@H]1O Amb24733177 [0,1,0,1,0,0|2,0,0]=4 7638 B9R1.132 C[C@@H]1[C@@H](CO)NCC1=O Amb25180835 [0,1,0,1,0,0|2,0,0]=4 7639 B9R1.132 C[C@H]1[C@@H](CCC1=O)CBr Amb24595759 [0,1,0,1,0,0|2,0,0]=4 7640 B9R1.132 C[C@H]1[C@@H](CCC1=O)CO Amb24582507 [0,1,0,1,0,0|1,0,0]=3 7641 B9R1.132 C[C@H]1[C@@H](CCC1O)CO Amb25176819 [0,1,0,1,0,0|1,0,1]=4 7642 B9R1.132 C[C@H]1[C@@H](CO)CNC1=O Amb25204711 [0,1,0,1,0,0|1,0,0]=3 7643 B9R1.132 N[C@H]1[C@H](CS)COC1=O Amb24715941 [0,1,0,1,0,0|0,1,0]=3 7644 B9R1.132 O=C1OCC(CCl)C1Cl Amb24653769 [0,1,0,1,0,0|1,0,0]=3 7645 B9R1.132 O[C@H]1[C@H](COC1=O)CO Amb24733237 [0,1,0,1,0,0|0,0,0]=2 7646 B9R1.141 CC(=O)[C@]1(C)[C@H](C)[C@@H]1C Amb25706911 [0,1,0,1,0,0|2,0,0]=4 7647 B9R1.141 CC1(C(C)C1C)C(N)=O Amb25825043 [0,1,0,1,0,0|2,0,0]=4 7648 B9R1.141 CC1(C(C)C1C)C(O)=O Amb24429202 [0,1,0,1,0,0|1,0,0]=3 7649 B9R1.141 CC1C(Br)C1(C)C(C)=O Amb24711571 [0,1,0,1,0,0|2,0,0]=4 7650 B9R1.141 CC1C(Br)C1(C)C(O)=O Amb24663119 [0,1,0,1,0,0|1,0,0]=3 7651 B9R1.141 CC1C(C)C1(N)C(O)=O Amb24366699 [0,1,0,1,0,0|1,0,0]=3 7652 B9R1.141 CC1C(Cl)C1(C)C(C)=O Amb25350446 [0,1,0,1,0,0|2,0,0]=4 7653 B9R1.141 C[C@@H]1[C@@H](C)C1(N)C(O)=O Amb24618306 [0,1,0,1,0,0|1,0,0]=3 7654 B9R1.141 C[C@@H]1[C@@H](Cl)[C@@]1(C)C(C)=O Amb25326688 [0,1,0,1,0,0|2,0,0]=4 7655 B9R1.141 C[C@@H]1[C@H](C)[C@@]1(N)C(O)=O Amb25859080 [0,1,0,1,0,0|1,0,0]=3 7656 B9R1.141 C[C@@H]1[C@H](C)[C@]1(N)C(O)=O Amb24402011 [0,1,0,1,0,0|1,0,0]=3 7657 B9R1.141 C[C@H]1[C@@H](Br)[C@]1(C)C(C)=O Amb25242457 [0,1,0,1,0,0|2,0,0]=4 7658 B9R1.141 C[C@H]1[C@H](C)C1(N)C(O)=O Amb25243123 [0,1,0,1,0,0|1,0,0]=3 7659 B9R1.159 CC1CCC1(N)C(N)=O Amb24391671 [0,1,0,1,0,0|2,0,0]=4 7660 B9R1.159 CC1CCC1(N)C(O)=O Amb23456072 [0,1,0,1,0,0|1,0,0]=3 7661 B9R1.159 C[C@@H]1CC[C@]1(N)C(O)=O Amb24586126 [0,1,0,1,0,0|1,0,0]=3 7662 B9R1.159 C[C@H]1CC[C@@]1(C)C(O)=O Amb24575030 [0,1,0,1,0,0|1,0,0]=3 7663 B9R1.159 NC1(CCC1F)C(O)=O Amb25223441 [0,1,0,1,0,0|2,0,0]=4 7664 B9R1.159 N[C@@H]1CC[C@]1(N)C(O)=O Amb25233319 [0,1,0,1,0,0|2,0,0]=4 7665 B9R1.159 N[C@@]1(CC[C@H]1O)C(O)=O Amb25313173 [0,1,0,1,0,0|2,0,0]=4 7666 B9R1.159 OC1CCC1(O)C(O)=O Amb24477886 [0,1,0,1,0,0|2,0,0]=4 7667 B9R1.188 CC(CO)[C@]1(C)C[C@@H]1O Amb25177727 [0,1,0,1,0,0|1,0,1]=4 7668 B9R1.188 CC(CO)[C@]1(C)C[C@H]1O Amb25345106 [0,1,0,1,0,0|1,0,1]=4 7669 B9R1.199 CCC1(C)OC(=O)C1Cl Amb24753405 [0,1,0,1,0,0|1,0,0]=3 7670 B9R1.199 CC[C@@]1(C)OC(=O)[C@@H]1Cl Amb25242419 [0,1,0,1,0,0|1,0,0]=3 7671 B9R1.7 C#CCC1CC(=O)CC1 Amb25343081 [0,1,0,1,0,0|2,0,0]=4 7672 B9R1.7 C#CC[C@@H]1COC(=O)N1 Amb25809399 [0,1,0,1,0,0|2,0,0]=4 7673 B9R1.7 C=C1CC(CCO)CC1 Amb24575578 [0,1,0,1,0,0|2,0,0]=4 7674 B9R1.7 C=CCC1CNC(=O)C1 Amb25694415 [0,1,0,1,0,0|2,0,0]=4 7675 B9R1.7 C=CCC1COC(=O)N1 Amb24532876 [0,1,0,1,0,0|2,0,0]=4 7676 B9R1.7 C=CC[C@@H]1CC(=O)CC1 Amb25358940 [0,1,0,1,0,0|2,0,0]=4 7677 B9R1.7 C=CC[C@@H]1COC(=O)N1 Amb25329003 [0,1,0,1,0,0|2,0,0]=4 7678 B9R1.7 C=CC[C@H]1CC(=O)CC1 Amb24613923 [0,1,0,1,0,0|2,0,0]=4 7679 B9R1.7 CCCC1CC(=O)CC1 Amb24087435 [0,1,0,1,0,0|2,0,0]=4 7680 B9R1.7 CCCC1CNC(=O)C1 Amb16186658 [0,1,0,1,0,0|2,0,0]=4 7681 B9R1.7 CCC[C@@H]1CC(=O)CC1 Amb25802135 [0,1,0,1,0,0|2,0,0]=4 7682 B9R1.7 CCC[C@H]1CC(=O)CC1 Amb25298534 [0,1,0,1,0,0|2,0,0]=4 7683 B9R1.7 CCC[C@H]1CNC(=O)C1 Amb25146172 [0,1,0,1,0,0|2,0,0]=4 7684 B9R1.7 CNCC1COC(=O)N1 Amb25115897 [0,1,0,1,0,0|2,0,0]=4 7685 B9R1.7 COCC1CCC(=O)N1 Amb24713685 [0,1,0,1,0,0|2,0,0]=4 7686 B9R1.7 COCC1CCC(O)C1 Amb25692823 [0,1,0,1,0,0|1,0,1]=4 7687 B9R1.7 COCC1CNC(=O)C1 Amb25693762 [0,1,0,1,0,0|1,0,0]=3 7688 B9R1.7 COCC=1CC(=O)ON1 Amb24420035 [0,1,0,1,0,0|1,0,1]=4 7689 B9R1.7 COC[C@@H]1CCC(=O)N1 Amb25145589 [0,1,0,1,0,0|2,0,0]=4 7690 B9R1.7 COC[C@@H]1CNC(=O)O1 Amb22746095 [0,1,0,1,0,0|2,0,0]=4 7691 B9R1.7 COC[C@@H]1COC(=O)N1 Amb24381462 [0,1,0,1,0,0|1,0,0]=3 7692 B9R1.7 COC[C@@H]1COC(=O)O1 Amb22366849 [0,1,0,1,0,0|1,0,0]=3 7693 B9R1.7 COC[C@H]1CNC(=O)O1 Amb22225377 [0,1,0,1,0,0|2,0,0]=4 7694 B9R1.7 COC[C@H]1COC(=O)O1 Amb22226690 [0,1,0,1,0,0|1,0,0]=3 7695 B9R1.7 CSCC1COC(=O)N1 Amb25304404 [0,1,0,1,0,0|1,1,0]=4 7696 B9R1.7 N#CCC1CC(=O)CC1 Amb25091467 [0,1,0,1,0,0|2,0,0]=4 7697 B9R1.7 N#CCC1COC(=O)N1 Amb24353276 [0,1,0,1,0,0|2,0,0]=4 7698 B9R1.7 N#CC[C@@H]1CC(=O)CC1 Amb24447318 [0,1,0,1,0,0|2,0,0]=4 7699 B9R1.7 NCCC1CC(=O)CC1 Amb24409510 [0,1,0,1,0,0|2,0,0]=4 7700 B9R1.7 NCCC1CNC(=O)C1 Amb18832612 [0,1,0,1,0,0|2,0,0]=4 7701 B9R1.7 NCCC1COC(=O)N1 Amb24732121 [0,1,0,1,0,0|2,0,0]=4 7702 B9R1.7 NCCC1COC(=O)O1 Amb24746673 [0,1,0,1,0,0|2,0,0]=4 7703 B9R1.7 NOCC1CCC(=O)N1 Amb25115375 [0,1,0,1,0,0|2,0,0]=4 7704 B9R1.7 O=C1CC(CO1)N=C=S Amb25776098 [0,1,0,1,0,0|0,1,1]=4 7705 B9R1.7 O=CCC1CC(=O)CC1 Amb18642410 [0,1,0,1,0,0|1,0,1]=4 7706 B9R1.7 O=CCC1COC(=O)C1 Amb24633507 [0,1,0,1,0,0|0,0,1]=3 7707 B9R1.7 O=CCC1COC(=O)N1 Amb18642692 [0,1,0,1,0,0|1,0,1]=4 7708 B9R1.7 O=CC[C@@H]1COC(=O)N1 Amb24524150 [0,1,0,1,0,0|1,0,1]=4 7709 B9R1.7 OCCC1CC(=O)CC1 Amb24467811 [0,1,0,1,0,0|1,0,0]=3 7710 B9R1.7 OCCC1CC(=O)CN1 Amb24574037 [0,1,0,1,0,0|2,0,0]=4 7711 B9R1.7 OCCC1CC(=O)NN1 Amb24070734 [0,1,0,1,0,0|2,0,0]=4 7712 B9R1.7 OCCC1CCC(=O)O1 Amb25188957 [0,1,0,1,0,0|2,0,0]=4 7713 B9R1.7 OCCC1CNC(=O)C1 Amb23598230 [0,1,0,1,0,0|1,0,0]=3 7714 B9R1.7 OCCC1CNC(=O)O1 Amb24604919 [0,1,0,1,0,0|2,0,0]=4 7715 B9R1.7 OCCC1COC(=O)C1 Amb24577239 [0,1,0,1,0,0|0,0,0]=2 7716 B9R1.7 OCCC1COC(=O)N1 Amb24477775 [0,1,0,1,0,0|1,0,0]=3 7717 B9R1.7 OCC[C@@H]1CC(=O)CC1 Amb24750224 [0,1,0,1,0,0|1,0,0]=3 7718 B9R1.7 OCC[C@@H]1CCC(=O)N1 Amb24761403 [0,1,0,1,0,0|2,0,0]=4 7719 B9R1.7 OCC[C@@H]1CNC(=O)O1 Amb25340109 [0,1,0,1,0,0|2,0,0]=4 7720 B9R1.7 OCC[C@@H]1COC(=O)N1 Amb25354215 [0,1,0,1,0,0|1,0,0]=3 7721 B9R1.7 OCC[C@H]1CCC(=O)O1 Amb24397212 [0,1,0,1,0,0|2,0,0]=4 7722 B9R1.7 OCC[C@H]1COC(=O)C1 Amb25740657 [0,1,0,1,0,0|0,0,0]=2 7723 B9R1.7 OCC[C@H]1COC(=O)N1 Amb24649331 [0,1,0,1,0,0|1,0,0]=3 7724 B9R1.7 OC\C=C/1\COC(=O)S1 Amb24541560 [0,1,0,1,0,0|1,0,1]=4 7725 B9R1.7 O[C@@H]1CC[C@H](C1)CCO Amb24719687 [0,1,0,1,0,0|1,0,1]=4 7726 B9R1.7 [N-]=[N+]=NC1COC(=O)C1 Amb25804104 [0,1,0,1,0,0|2,0,0]=4 7727 B9R1.13 CC(=O)CC1CC=CC1 Amb25337514 [0,1,0,1,0,0|2,0,0]=4 7728 B9R1.13 CC(=O)CC1CCCN1 Amb24064067 [0,1,0,1,0,0|2,0,0]=4 7729 B9R1.13 CC(=O)CC1CCCO1 Amb13952621 [0,1,0,1,0,0|2,0,0]=4 7730 B9R1.13 CC(=O)CC1COCC1 Amb20622791 [0,1,0,1,0,0|1,0,0]=3 7731 B9R1.13 CC(=O)C[C@@H]1CCCN1 Amb24709255 [0,1,0,1,0,0|2,0,0]=4 7732 B9R1.13 CC(=O)C[C@H]1CCCO1 Amb24752778 [0,1,0,1,0,0|2,0,0]=4 7733 B9R1.13 CC(=O)NC1COCC1 Amb25185374 [0,1,0,1,0,0|2,0,0]=4 7734 B9R1.13 CC(=O)OC1COCC1 Amb25052014 [0,1,0,1,0,0|2,0,0]=4 7735 B9R1.13 CC(=O)O[C@@H]1CONC1 Amb24473930 [0,1,0,1,0,0|2,0,0]=4 7736 B9R1.13 CC(=O)SC1COCC1 Amb13892074 [0,1,0,1,0,0|2,0,0]=4 7737 B9R1.13 NC(=N)CC1COCC1 Amb25132816 [0,1,0,1,0,0|2,0,0]=4 7738 B9R1.13 NC(=O)CC1CCCN1 Amb18282785 [0,1,0,1,0,0|2,0,0]=4 7739 B9R1.13 NC(=O)CC1COCC1 Amb25228942 [0,1,0,1,0,0|1,0,0]=3 7740 B9R1.13 NC(=O)C[C@@H]1CCCN1 Amb24583408 [0,1,0,1,0,0|2,0,0]=4 7741 B9R1.13 NC(=O)C[C@H]1CNCC1 Amb25724831 [0,1,0,1,0,0|2,0,0]=4 7742 B9R1.13 NC(=O)OC1COCC1 Amb25141917 [0,1,0,1,0,0|2,0,0]=4 7743 B9R1.13 O=C(Cl)CC1COCC1 Amb22642272 [0,1,0,1,0,0|1,0,0]=3 7744 B9R1.13 O=C(Cl)OC1COCC1 Amb22642258 [0,1,0,1,0,0|2,0,0]=4 7745 B9R1.13 OC(=O)CC1CC=CC1 Amb25673915 [0,1,0,1,0,0|1,0,0]=3 7746 B9R1.13 OC(=O)CC1CCCC1 Amb16192937 [0,1,0,1,0,0|1,0,0]=3 7747 B9R1.13 OC(=O)CC1CCCN1 Amb20668514 [0,1,0,1,0,0|1,0,0]=3 7748 B9R1.13 OC(=O)CC1CCCO1 Amb1088908 [0,1,0,1,0,0|1,0,0]=3 7749 B9R1.13 OC(=O)CC1CCCS1 Amb18644290 [0,1,0,1,0,0|1,0,0]=3 7750 B9R1.13 OC(=O)CC1CCNO1 Amb25261098 [0,1,0,1,0,0|2,0,0]=4 7751 B9R1.13 OC(=O)CC1CSCC1 Amb18202318 [0,1,0,1,0,0|0,1,0]=3 7752 B9R1.13 OC(=O)CC1NCCS1 Amb18644340 [0,1,0,1,0,0|2,0,0]=4 7753 B9R1.13 OC(=O)CC1OCCO1 Amb22740193 [0,1,0,1,0,0|2,0,0]=4 7754 B9R1.13 OC(=O)CC1SCCS1 Amb25361118 [0,1,0,1,0,0|2,0,0]=4 7755 B9R1.13 OC(=O)CC=1CCCC1 Amb18642404 [0,1,0,1,0,0|1,0,1]=4 7756 B9R1.13 OC(=O)CC=1CCOC1 Amb23538473 [0,1,0,1,0,0|0,0,2]=4 7757 B9R1.13 OC(=O)CN1CC=CC1 Amb24360179 [0,1,0,1,0,0|2,0,0]=4 7758 B9R1.13 OC(=O)C[C@@H]1CCCN1 Amb13891876 [0,1,0,1,0,0|1,0,0]=3 7759 B9R1.13 OC(=O)C[C@@H]1CCCO1 Amb24271115 [0,1,0,1,0,0|1,0,0]=3 7760 B9R1.13 OC(=O)C[C@@H]1COCC1 Amb23401495 [0,1,0,1,0,0|0,0,0]=2 7761 B9R1.13 OC(=O)C[C@H]1CCC=C1 Amb25378723 [0,1,0,1,0,0|1,0,1]=4 7762 B9R1.13 OC(=O)C[C@H]1CCCN1 Amb16184011 [0,1,0,1,0,0|1,0,0]=3 7763 B9R1.13 OC(=O)C[C@H]1CCCO1 Amb24271109 [0,1,0,1,0,0|1,0,0]=3 7764 B9R1.13 OC(=O)C[C@H]1CNCC1 Amb10067024 [0,1,0,1,0,0|1,0,0]=3 7765 B9R1.22 C=C1CC(O)C(C1)CO Amb25080201 [0,1,0,1,0,0|2,0,0]=4 7766 B9R1.22 C=CC1OC(=O)CC1O Amb24648262 [0,1,0,1,0,0|2,0,0]=4 7767 B9R1.22 C=C[C@@H]1OC(=O)C[C@@H]1O Amb24630773 [0,1,0,1,0,0|2,0,0]=4 7768 B9R1.22 C=C[C@H]1OC(=O)C[C@H]1O Amb24613503 [0,1,0,1,0,0|2,0,0]=4 7769 B9R1.22 CC1=CC(=O)CC1CC Amb24686502 [0,1,0,1,0,0|2,0,0]=4 7770 B9R1.22 CC1=CC(=O)OC1CO Amb25116791 [0,1,0,1,0,0|0,0,2]=4 7771 B9R1.22 CC1=CC(=O)O[C@@H]1CO Amb25830656 [0,1,0,1,0,0|0,0,2]=4 7772 B9R1.22 CC1=CC(O)CC1CO Amb25124944 [0,1,0,1,0,0|1,0,1]=4 7773 B9R1.22 CC1=C[C@@H](O)C[C@@H]1CO Amb24661097 [0,1,0,1,0,0|1,0,1]=4 7774 B9R1.22 CC1CC(=C)OC1CO Amb25220526 [0,1,0,1,0,0|1,0,0]=3 7775 B9R1.22 CC1CC(=O)CC1CC Amb25032178 [0,1,0,1,0,0|2,0,0]=4 7776 B9R1.22 CC1CC(=O)CC1OC Amb24364094 [0,1,0,1,0,0|1,0,0]=3 7777 B9R1.22 CC1CC(=O)NC1C#N Amb18642194 [0,1,0,1,0,0|2,0,0]=4 7778 B9R1.22 CC1CC(=O)NC1CC Amb24578188 [0,1,0,1,0,0|2,0,0]=4 7779 B9R1.22 CC1CC(=O)OC1CBr Amb25240937 [0,1,0,1,0,0|1,0,0]=3 7780 B9R1.22 CC1CC(=O)OC1CCl Amb24480344 [0,1,0,1,0,0|1,0,0]=3 7781 B9R1.22 CC1CC(=O)OC1CN Amb25300550 [0,1,0,1,0,0|1,0,0]=3 7782 B9R1.22 CC1CC(=O)O[C@@H]1CN Amb25222804 [0,1,0,1,0,0|1,0,0]=3 7783 B9R1.22 CC1CC(CC)C(O)O1 Amb25065208 [0,1,0,1,0,0|1,0,1]=4 7784 B9R1.22 CC1NC(=O)CC1CO Amb24670468 [0,1,0,1,0,0|1,0,0]=3 7785 B9R1.22 CC1NC(=O)OC1CC Amb25679025 [0,1,0,1,0,0|2,0,0]=4 7786 B9R1.22 CC1OC(=O)CC1CO Amb25110752 [0,1,0,1,0,0|0,0,0]=2 7787 B9R1.22 CC1OC(=O)CC1NC Amb24476703 [0,1,0,1,0,0|1,0,0]=3 7788 B9R1.22 CC1OC(=O)NC1CBr Amb25784059 [0,1,0,1,0,0|2,0,0]=4 7789 B9R1.22 CC1OC(=O)NC1OC Amb24383631 [0,1,0,1,0,0|2,0,0]=4 7790 B9R1.22 CC1OC(C)CC1CO Amb25286847 [0,1,0,1,0,0|1,0,1]=4 7791 B9R1.22 CC=1OC(=O)NC1CO Amb25708677 [0,1,0,1,0,0|1,0,1]=4 7792 B9R1.22 CC=1OC(=O)OC1CO Amb21962117 [0,1,0,1,0,0|1,0,1]=4 7793 B9R1.22 CCC1=CC(=O)CC1C Amb24597151 [0,1,0,1,0,0|2,0,0]=4 7794 B9R1.22 CCC1=CC(=O)OC1O Amb25221620 [0,1,0,1,0,0|0,0,2]=4 7795 B9R1.22 CCC1CC(=O)CC1O Amb25237318 [0,1,0,1,0,0|1,0,0]=3 7796 B9R1.22 CCC1CC(=O)NN1C Amb24598970 [0,1,0,1,0,0|2,0,0]=4 7797 B9R1.22 CCC1CC(=O)OC1=O Amb24571652 [0,1,0,1,0,0|0,0,2]=4 7798 B9R1.22 CCC1OC(=O)CC1O Amb25788884 [0,1,0,1,0,0|2,0,0]=4 7799 B9R1.22 CCN1NC(=O)CC1C Amb24473638 [0,1,0,1,0,0|2,0,0]=4 7800 B9R1.22 CC[C@@H]1CC(=O)C[C@H]1O Amb24534308 [0,1,0,1,0,0|1,0,0]=3 7801 B9R1.22 CC[C@@H]1NC(=O)C[C@@H]1O Amb25258693 [0,1,0,1,0,0|2,0,0]=4 7802 B9R1.22 CC[C@@H]1NC(=O)C[C@H]1O Amb24513054 [0,1,0,1,0,0|2,0,0]=4 7803 B9R1.22 CC[C@@H]1OC(=O)C[C@H]1Br Amb25362262 [0,1,0,1,0,0|2,0,0]=4 7804 B9R1.22 CC[C@H]1CC(=O)C[C@H]1O Amb24575930 [0,1,0,1,0,0|1,0,0]=3 7805 B9R1.22 CC[C@H]1CC(=O)OC1O Amb25725427 [0,1,0,1,0,0|0,0,0]=2 7806 B9R1.22 CC[C@H]1NC(=O)C[C@@H]1O Amb24374772 [0,1,0,1,0,0|2,0,0]=4 7807 B9R1.22 CC[C@H]1OC(=O)C[C@@H]1O Amb25195896 [0,1,0,1,0,0|2,0,0]=4 7808 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO Amb22746005 [0,1,0,1,0,0|1,0,1]=4 7809 B9R1.22 CN1C[C@H](O)C[C@H]1CO Amb19888613 [0,1,0,1,0,0|1,0,1]=4 7810 B9R1.22 CN1NC(=O)CC1CN Amb24519835 [0,1,0,1,0,0|2,0,0]=4 7811 B9R1.22 CN1OC(O)CC1CO Amb25357380 [0,1,0,1,0,0|0,0,2]=4 7812 B9R1.22 COC1NC(=O)CC1O Amb24724345 [0,1,0,1,0,0|2,0,0]=4 7813 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CI Amb24629581 [0,1,0,1,0,0|2,0,0]=4 7814 B9R1.22 C[C@@H]1CC(=O)O[C@@H]1CO Amb25176497 [0,1,0,1,0,0|0,0,0]=2 7815 B9R1.22 C[C@@H]1NC(=O)C[C@@H]1CO Amb24667931 [0,1,0,1,0,0|1,0,0]=3 7816 B9R1.22 C[C@@H]1NC(=O)OC1CC Amb25694156 [0,1,0,1,0,0|2,0,0]=4 7817 B9R1.22 C[C@@H]1NC(=O)O[C@@H]1C=C Amb24516597 [0,1,0,1,0,0|2,0,0]=4 7818 B9R1.22 C[C@@H]1OC(=O)C[C@H]1CO Amb25176881 [0,1,0,1,0,0|0,0,0]=2 7819 B9R1.22 C[C@@H]1OC(=O)C[C@H]1NC Amb24610195 [0,1,0,1,0,0|1,0,0]=3 7820 B9R1.22 C[C@@H]1OC(=O)C[C@H]1NN Amb24715077 [0,1,0,1,0,0|2,0,0]=4 7821 B9R1.22 C[C@@H]1OC(=O)NC1OC Amb24411516 [0,1,0,1,0,0|2,0,0]=4 7822 B9R1.22 C[C@@H]1OC(=O)N[C@H]1CC Amb24699385 [0,1,0,1,0,0|2,0,0]=4 7823 B9R1.22 C[C@H]1CC(=O)C[C@H]1CC Amb25179756 [0,1,0,1,0,0|2,0,0]=4 7824 B9R1.22 C[C@H]1CC(=O)N[C@H]1C#N Amb24760887 [0,1,0,1,0,0|2,0,0]=4 7825 B9R1.22 C[C@H]1CC(=O)N[C@H]1CI Amb24681330 [0,1,0,1,0,0|2,0,0]=4 7826 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO Amb25175007 [0,1,0,1,0,0|1,0,0]=3 7827 B9R1.22 C[C@H]1CC(=O)O[C@@H]1CBr Amb25210841 [0,1,0,1,0,0|1,0,0]=3 7828 B9R1.22 C[C@H]1CC(=O)O[C@H]1CCl Amb24554768 [0,1,0,1,0,0|1,0,0]=3 7829 B9R1.22 C[C@H]1CC(=O)O[C@H]1CO Amb25175374 [0,1,0,1,0,0|0,0,0]=2 7830 B9R1.22 C[C@H]1NC(=O)O[C@@H]1CC Amb24713487 [0,1,0,1,0,0|2,0,0]=4 7831 B9R1.22 C[C@H]1OC(=O)C[C@H]1CO Amb25257020 [0,1,0,1,0,0|0,0,0]=2 7832 B9R1.22 C[C@H]1OC(=O)N[C@@H]1OC Amb25376794 [0,1,0,1,0,0|2,0,0]=4 7833 B9R1.22 Cc1oc(=O)oc1CO Amb22270084 [0,1,0,1,0,0|1,0,1]=4 7834 B9R1.22 N[C@H]1CC(=O)N[C@H]1CO Amb25258095 [0,1,0,1,0,0|2,0,0]=4 7835 B9R1.22 O=C1OC(=O)CC1CBr Amb24480245 [0,1,0,1,0,0|0,0,2]=4 7836 B9R1.22 OC1CC(=O)OC1CO Amb24356603 [0,1,0,1,0,0|1,0,0]=3 7837 B9R1.22 OC1NC(=O)OC1CO Amb24387758 [0,1,0,1,0,0|2,0,0]=4 7838 B9R1.22 OC1OC(=O)C=C1CCl Amb24669206 [0,1,0,1,0,0|0,0,2]=4 7839 B9R1.22 OCC1=CC(=O)OC1O Amb25687821 [0,1,0,1,0,0|0,0,2]=4 7840 B9R1.22 OC[C@@H]1C[C@H](CN1C)O Amb13883425 [0,1,0,1,0,0|1,0,1]=4 7841 B9R1.22 O[C@@H]1CC(=O)O[C@@H]1CO Amb24515317 [0,1,0,1,0,0|1,0,0]=3 7842 B9R1.22 O[C@@H]1CC(=O)O[C@H]1CBr Amb24555733 [0,1,0,1,0,0|2,0,0]=4 7843 B9R1.22 O[C@@H]1CC(=O)O[C@H]1CO Amb22748461 [0,1,0,1,0,0|1,0,0]=3 7844 B9R1.22 O[C@H]1CC(=O)N[C@@H]1CO Amb24677654 [0,1,0,1,0,0|2,0,0]=4 7845 B9R1.22 O[C@H]1CC(=O)OC1CO Amb24404778 [0,1,0,1,0,0|1,0,0]=3 7846 B9R1.22 O[C@H]1CC(=O)O[C@@H]1CBr Amb25176060 [0,1,0,1,0,0|2,0,0]=4 7847 B9R1.22 O[C@H]1CC(=O)O[C@@H]1CO Amb20242107 [0,1,0,1,0,0|1,0,0]=3 7848 B9R1.22 O[C@H]1CC(=O)O[C@H]1CCl Amb24598576 [0,1,0,1,0,0|2,0,0]=4 7849 B9R1.25 CC/1C(\C1=C/C)C(O)=O Amb24532863 [0,1,0,1,0,0|1,0,1]=4 7850 B9R1.25 CC1C(C=C)C1C(C)=O Amb25094320 [0,1,0,1,0,0|2,0,0]=4 7851 B9R1.25 CC1C(CO)C1C(O)=O Amb25131333 [0,1,0,1,0,0|0,0,0]=2 7852 B9R1.25 CC1C(OC)C1C(O)=O Amb24383463 [0,1,0,1,0,0|0,0,0]=2 7853 B9R1.25 CC=1C(C1CC)C(O)=O Amb25705170 [0,1,0,1,0,0|1,0,1]=4 7854 B9R1.25 CC[C@H]1[C@@H](C1=C)C(O)=O Amb24683736 [0,1,0,1,0,0|1,0,1]=4 7855 B9R1.25 C[C@@H]1[C@@H](CO)[C@@H]1C(O)=O Amb25264080 [0,1,0,1,0,0|0,0,0]=2 7856 B9R1.25 C[C@@H]1[C@@H](CO)[C@H]1C(O)=O Amb24560911 [0,1,0,1,0,0|0,0,0]=2 7857 B9R1.25 C[C@H]1[C@H](C=O)[C@@H]1C(O)=O Amb24622469 [0,1,0,1,0,0|0,0,1]=3 7858 B9R1.34 CC1CC(=O)C=C(O)O1 Amb25195058 [0,1,0,1,0,0|1,0,1]=4 7859 B9R1.34 CC1CC(=O)C=[N+]([O-])C1 Amb25366372 [0,1,0,1,0,0|1,0,1]=4 7860 B9R1.34 CC1CC(=O)CC(C)N1 Amb18642530 [0,1,0,1,0,0|2,0,0]=4 7861 B9R1.34 CC1CC(=O)CC(C)N1 Amb22228395 [0,1,0,1,0,0|2,0,0]=4 7862 B9R1.34 CC1CC(=O)NC(=O)C1 Amb17940391 [0,1,0,1,0,0|1,0,1]=4 7863 B9R1.34 CC1CC(N)NC(=O)C1 Amb24590810 [0,1,0,1,0,0|2,0,0]=4 7864 B9R1.34 CC1CC(O)=CC(=O)O1 Amb22347797 [0,1,0,1,0,0|2,0,0]=4 7865 B9R1.34 CC1CC(O)CC(=O)O1 Amb23455145 [0,1,0,1,0,0|2,0,0]=4 7866 B9R1.34 CC1CN(C)CC(=O)C1 Amb2369958 [0,1,0,1,0,0|2,0,0]=4 7867 B9R1.34 CC1C[C@@H](O)CC(O)C1 Amb24747781 [0,1,0,1,0,0|1,0,1]=4 7868 B9R1.34 CC1C[C@@H](O)CC(O)O1 Amb24474122 [0,1,0,1,0,0|1,0,1]=4 7869 B9R1.34 CC1C[C@H](O)C[C@@H](O)C1 Amb25246152 [0,1,0,1,0,0|1,0,1]=4 7870 B9R1.34 CC1OC(C)CC(=O)C1 Amb10072038 [0,1,0,1,0,0|2,0,0]=4 7871 B9R1.34 CC=1C[C@@H](C)CC(=O)C1 Amb25044278 [0,1,0,1,0,0|2,0,0]=4 7872 B9R1.34 CC=1C[C@H](C)CC(=O)C1 Amb24631557 [0,1,0,1,0,0|2,0,0]=4 7873 B9R1.34 CN1CC(=O)OC(=O)C1 Amb24673917 [0,1,0,1,0,0|1,0,1]=4 7874 B9R1.34 C[C@@H]1CC(=O)CN(C)C1 Amb25298503 [0,1,0,1,0,0|2,0,0]=4 7875 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)N1 Amb25244740 [0,1,0,1,0,0|2,0,0]=4 7876 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Amb24056554 [0,1,0,1,0,0|2,0,0]=4 7877 B9R1.34 C[C@@H]1CC(=O)C[C@H](C)C1 Amb24568269 [0,1,0,1,0,0|2,0,0]=4 7878 B9R1.34 C[C@@H]1CC(=O)C[C@H](C)N1 Amb22751257 [0,1,0,1,0,0|2,0,0]=4 7879 B9R1.34 C[C@@H]1CC(=O)C[C@H](C)O1 Amb24620055 [0,1,0,1,0,0|2,0,0]=4 7880 B9R1.34 C[C@@H]1C[C@H](O)CC(=O)O1 Amb25246833 [0,1,0,1,0,0|2,0,0]=4 7881 B9R1.34 C[C@H]1CC(=O)C=C(N)C1 Amb25162761 [0,1,0,1,0,0|2,0,0]=4 7882 B9R1.34 C[C@H]1CC(=O)CC(C)C1 Amb25849622 [0,1,0,1,0,0|2,0,0]=4 7883 B9R1.34 C[C@H]1CC(=O)C[C@H](C)N1 Amb24517463 [0,1,0,1,0,0|2,0,0]=4 7884 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Amb22737479 [0,1,0,1,0,0|2,0,0]=4 7885 B9R1.34 C[C@H]1CC(=O)OC(=O)N1 Amb24551060 [0,1,0,1,0,0|0,0,2]=4 7886 B9R1.34 C[C@H]1CC(O)CC(=O)O1 Amb24541561 [0,1,0,1,0,0|2,0,0]=4 7887 B9R1.34 C[C@H]1CC(O)O[C@@H](C)C1 Amb24675283 [0,1,0,1,0,0|1,0,1]=4 7888 B9R1.34 C[C@H]1C[C@@H](O)C=C(C)C1 Amb24694187 [0,1,0,1,0,0|2,0,0]=4 7889 B9R1.34 C[C@H]1C[C@@H](O)CC(=O)N1 Amb24586779 [0,1,0,1,0,0|2,0,0]=4 7890 B9R1.34 C[C@H]1C[C@@H](O)CC(=O)O1 Amb25220495 [0,1,0,1,0,0|2,0,0]=4 7891 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](O)O1 Amb25234831 [0,1,0,1,0,0|1,0,1]=4 7892 B9R1.34 C[C@H]1C[C@H](O)CC(=O)N1 Amb24517205 [0,1,0,1,0,0|2,0,0]=4 7893 B9R1.34 C[C@H]1C[C@H](O)CC(=O)O1 Amb25176759 [0,1,0,1,0,0|2,0,0]=4 7894 B9R1.34 NC1CC(=O)OC(=O)C1 Amb24477706 [0,1,0,1,0,0|1,0,1]=4 7895 B9R1.34 OC1CC(=O)OC(=O)C1 Amb24457409 [0,1,0,1,0,0|1,0,1]=4 7896 B9R1.38 CC1(Br)OC(=O)CC1Br Amb25126951 [0,1,0,1,0,0|2,0,0]=4 7897 B9R1.38 CC1(C)CC(=C)CC1O Amb25316151 [0,1,0,1,0,0|2,0,0]=4 7898 B9R1.38 CC1(C)CC(=O)C=C1O Amb25125779 [0,1,0,1,0,0|1,0,1]=4 7899 B9R1.38 CC1(C)CC(=O)CC1O Amb25730215 [0,1,0,1,0,0|1,0,0]=3 7900 B9R1.38 CC1(C)OC(=O)CC1Br Amb25831430 [0,1,0,1,0,0|2,0,0]=4 7901 B9R1.38 CC1(C)OC(=O)CC1Cl Amb24552388 [0,1,0,1,0,0|2,0,0]=4 7902 B9R1.38 CC1(C)OC(=O)CC1O Amb25198591 [0,1,0,1,0,0|2,0,0]=4 7903 B9R1.38 CC1CC(=O)NC1(C)C Amb19516972 [0,1,0,1,0,0|2,0,0]=4 7904 B9R1.38 CC1CC(C)(C)C(O)O1 Amb24532920 [0,1,0,1,0,0|1,0,1]=4 7905 B9R1.38 CC1NC(=O)CC1(C)C Amb24618176 [0,1,0,1,0,0|2,0,0]=4 7906 B9R1.38 CC1NC(=O)CC1(C)O Amb25233455 [0,1,0,1,0,0|2,0,0]=4 7907 B9R1.38 CC1OC(=O)NC1(C)C Amb24481994 [0,1,0,1,0,0|2,0,0]=4 7908 B9R1.38 CC=1CC(C)(C)C(O)N1 Amb25296192 [0,1,0,1,0,0|2,0,0]=4 7909 B9R1.38 CC=1CC(C)(Cl)C(O)C1 Amb25725211 [0,1,0,1,0,0|2,0,0]=4 7910 B9R1.38 C[C@@H]1NC(=O)C[C@@]1(C)O Amb25340649 [0,1,0,1,0,0|2,0,0]=4 7911 B9R1.38 C[C@@H]1NC(=O)C[C@]1(C)O Amb24585121 [0,1,0,1,0,0|2,0,0]=4 7912 B9R1.38 C[C@@H]1NC(=O)OC1(C)C Amb24553743 [0,1,0,1,0,0|2,0,0]=4 7913 B9R1.38 C[C@H]1NC(=O)OC1(C)C Amb25268161 [0,1,0,1,0,0|2,0,0]=4 7914 B9R1.44 CC1C[C@]1(N)CC(O)=O Amb25844887 [0,1,0,1,0,0|1,0,0]=3 7915 B9R1.44 C[C@@H]1C[C@@]1(N)CC(O)=O Amb24540980 [0,1,0,1,0,0|1,0,0]=3 7916 B9R1.48 CC1CC(=O)NCCN1 Amb18832620 [0,1,0,1,0,0|2,0,0]=4 7917 B9R1.48 CC1CC(=O)NCCS1 Amb22642277 [0,1,0,1,0,0|2,0,0]=4 7918 B9R1.48 CC1CCCCC(=O)C1 Amb17593325 [0,1,0,1,0,0|2,0,0]=4 7919 B9R1.48 CC1CNC=CC(=O)C1 Amb24546980 [0,1,0,1,0,0|2,0,0]=4 7920 B9R1.48 C[C@@H]1CC(=O)C=CCC1 Amb25353106 [0,1,0,1,0,0|2,0,0]=4 7921 B9R1.48 C[C@@H]1CC(=O)CCCC1 Amb25044345 [0,1,0,1,0,0|2,0,0]=4 7922 B9R1.48 C[C@H]1CC(=O)C=CCC1 Amb24384662 [0,1,0,1,0,0|2,0,0]=4 7923 B9R1.48 O=C1COCCC(Cl)C1 Amb25102535 [0,1,0,1,0,0|2,0,0]=4 7924 B9R1.52 CC1CC(C)C1C(O)=O Amb25047286 [0,1,0,1,0,0|1,0,0]=3 7925 B9R1.53 CC(=O)CC1CN(C)C1 Amb25249609 [0,1,0,1,0,0|2,0,0]=4 7926 B9R1.53 CC(=O)CN1CC(O)C1 Amb25231501 [0,1,0,1,0,0|2,0,0]=4 7927 B9R1.53 CC(=O)O[C@@H]1C[C@@H](O)C1 Amb25777769 [0,1,0,1,0,0|2,0,0]=4 7928 B9R1.53 CC(=O)SC1CC(O)C1 Amb24732003 [0,1,0,1,0,0|2,0,0]=4 7929 B9R1.53 CC(=O)S[C@@H]1C[C@@H](O)C1 Amb25344944 [0,1,0,1,0,0|2,0,0]=4 7930 B9R1.53 C[C@@H]1C[C@H](CC(O)=O)C1 Amb24372826 [0,1,0,1,0,0|1,0,0]=3 7931 B9R1.53 C[C@H]1C[C@H](C1)CC(C)=O Amb24722132 [0,1,0,1,0,0|2,0,0]=4 7932 B9R1.53 NC(=O)CN1CC(O)C1 Amb24761040 [0,1,0,1,0,0|2,0,0]=4 7933 B9R1.53 NC1CC(CC(O)=O)C1 Amb23440231 [0,1,0,1,0,0|1,0,0]=3 7934 B9R1.53 NC1CN(C1)CC(O)=O Amb25347187 [0,1,0,1,0,0|2,0,0]=4 7935 B9R1.53 N[C@@H]1C[C@@H](CC(O)=O)C1 Amb23440233 [0,1,0,1,0,0|1,0,0]=3 7936 B9R1.53 N[C@@H]1C[C@H](CC(O)=O)C1 Amb23440232 [0,1,0,1,0,0|1,0,0]=3 7937 B9R1.53 N[C@@H]1C[C@H](CC(O)=O)C1 Amb24056536 [0,1,0,1,0,0|1,0,0]=3 7938 B9R1.53 O=C(Cl)CC1CC(Cl)C1 Amb25708345 [0,1,0,1,0,0|2,0,0]=4 7939 B9R1.53 OC(=O)CC1CC(=O)N1 Amb24351879 [0,1,0,1,0,0|0,0,2]=4 7940 B9R1.53 OC(=O)CC1CC(Cl)C1 Amb25145965 [0,1,0,1,0,0|1,0,0]=3 7941 B9R1.53 OC1CC(C1)CC(O)=O Amb24481941 [0,1,0,1,0,0|0,0,0]=2 7942 B9R1.53 OC1CN(C1)CC(O)=O Amb25339150 [0,1,0,1,0,0|1,0,0]=3 7943 B9R1.53 O[C@@H]1C[C@H](C1)CC(O)=O Amb25204858 [0,1,0,1,0,0|0,0,0]=2 7944 B9R1.59 C#CCC1OC1C(O)=O Amb25042774 [0,1,0,1,0,0|2,0,0]=4 7945 B9R1.59 CCCC1CC1C(N)=O Amb24473639 [0,1,0,1,0,0|2,0,0]=4 7946 B9R1.59 CCCC1CC1C(O)=O Amb19001459 [0,1,0,1,0,0|1,0,0]=3 7947 B9R1.59 CCCC1OC1C(O)=O Amb24561183 [0,1,0,1,0,0|2,0,0]=4 7948 B9R1.59 CCC[C@@H]1C[C@H]1C(O)=O Amb25368727 [0,1,0,1,0,0|1,0,0]=3 7949 B9R1.59 CCOC1CC1C(N)=O Amb24450491 [0,1,0,1,0,0|2,0,0]=4 7950 B9R1.59 CNC[C@@H]1C[C@H]1C(O)=O Amb24744378 [0,1,0,1,0,0|1,0,0]=3 7951 B9R1.59 COCC1CC1B(O)O Amb25142153 [0,1,0,1,0,0|1,0,1]=4 7952 B9R1.59 COC[C@@H]1C[C@H]1B(O)O Amb24443354 [0,1,0,1,0,0|1,0,1]=4 7953 B9R1.59 OC(=O)C1CC1C#CCl Amb25789843 [0,1,0,1,0,0|1,0,1]=4 7954 B9R1.59 OC(=O)[C@@H]1C[C@H]1CCBr Amb24519204 [0,1,0,1,0,0|1,0,0]=3 7955 B9R1.59 OC(=O)[C@@H]1C[C@H]1\C=C\Cl Amb25260396 [0,1,0,1,0,0|1,0,1]=4 7956 B9R1.66 CC1(C)CC(=O)NCC1 Amb24451332 [0,1,0,1,0,0|2,0,0]=4 7957 B9R1.66 CC1(C)CSCC(=O)C1 Amb21927887 [0,1,0,1,0,0|1,1,0]=4 7958 B9R1.66 CC1(N)CC(=O)CCC1 Amb25290133 [0,1,0,1,0,0|2,0,0]=4 7959 B9R1.66 CC1(O)CC(=O)NCC1 Amb24548836 [0,1,0,1,0,0|2,0,0]=4 7960 B9R1.66 CC1(O)CCOC(=O)[13CH2]1 Amb22353493 [0,1,0,1,0,0|1,0,0]=3 7961 B9R1.66 CC1(O)C[13CH2]CC(=O)C1 Amb22367566 [0,1,0,1,0,0|2,0,0]=4 7962 B9R1.66 CC1(S)CC(=O)CCC1 Amb24339898 [0,1,0,1,0,0|2,0,0]=4 7963 B9R1.66 C[C@@]1(O)CC(=O)OCC1 Amb22800043 [0,1,0,1,0,0|1,0,0]=3 7964 B9R1.66 C[C@]1(O)CC(=O)OCC1 Amb22388612 [0,1,0,1,0,0|1,0,0]=3 7965 B9R1.66 O=C1CCCC(C1)(C)C Amb13883565 [0,1,0,1,0,0|2,0,0]=4 7966 B9R1.66 [13CH3]C1(O)CC(=O)OCC1 Amb22367288 [0,1,0,1,0,0|1,0,0]=3 7967 B9R1.75 CC(COC)CC1CO1 Amb24739366 [0,1,0,1,0,0|1,0,1]=4 7968 B9R1.136 OCCC1CS(=O)(=O)C1 Amb25790952 [0,1,0,1,0,0|1,0,1]=4 7969 B9R1.137 N[C@H](CC(O)=O)C1CC1 Amb24349802 [0,1,0,1,0,0|2,0,0]=4 7970 B9R1.137 OC(C1CC1)CC(=O)O Amb17231863 [0,1,0,1,0,0|2,0,0]=4 7971 B9R1.137 OC(CC(O)=O)C1CO1 Amb25854287 [0,1,0,1,0,0|1,0,0]=3 7972 B9R1.137 O[C@H](CC(O)=O)C1CC1 Amb25367343 [0,1,0,1,0,0|2,0,0]=4 7973 B9R1.137 [O-]C(=O)C[C@@H](O)[C@H]1CO1 Amb25302277 [0,1,0,1,0,0|1,0,1]=4 7974 B9R1.171 CC(=C)CC1(O)COC1 Amb22896984 [0,1,0,1,0,0|2,0,0]=4 7975 B9R1.171 CC1(CC(N)=O)CCC1 Amb25772136 [0,1,0,1,0,0|2,0,0]=4 7976 B9R1.171 CC1(CC(O)=O)CCC1 Amb22735897 [0,1,0,1,0,0|1,0,0]=3 7977 B9R1.171 CC1(COC1)CC(O)=O Amb20671333 [0,1,0,1,0,0|0,0,0]=2 7978 B9R1.171 NC(=O)CC1(N)CCC1 Amb20622461 [0,1,0,1,0,0|2,0,0]=4 7979 B9R1.171 NC(=O)CC1(N)CCC1 Amb22059756 [0,1,0,1,0,0|2,0,0]=4 7980 B9R1.171 NC(=O)CC1(N)COC1 Amb22039447 [0,1,0,1,0,0|1,0,0]=3 7981 B9R1.171 NC1(CC(O)=O)CCC1 Amb20623514 [0,1,0,1,0,0|1,0,0]=3 7982 B9R1.171 NC1(CC(O)=O)CCC1 Amb22059493 [0,1,0,1,0,0|1,0,0]=3 7983 B9R1.171 NC1(COC1)CC(O)=O Amb20671385 [0,1,0,1,0,0|0,0,0]=2 7984 B9R1.171 OC(=O)CC1(F)COC1 Amb24564061 [0,1,0,1,0,0|0,0,0]=2 7985 B9R1.171 OC(=O)CC1(O)CCC1 Amb18961452 [0,1,0,1,0,0|1,0,0]=3 7986 B9R1.171 OC(=O)CC1(O)CNC1 Amb25041173 [0,1,0,1,0,0|1,0,0]=3 7987 B9R1.177 CC1(CC=C)CC(=O)N1 Amb25081429 [0,1,0,1,0,0|2,0,0]=4 7988 B9R1.177 COCC1(C)CC(=O)C1 Amb25112540 [0,1,0,1,0,0|1,0,0]=3 7989 B9R1.2 C=C1CC(CO)NCC1 Amb25219592 [0,1,0,1,0,0|2,0,0]=4 7990 B9R1.2 CC1CC(C=O)=CCC1 Amb18642246 [0,1,0,1,0,0|2,0,0]=4 7991 B9R1.2 CC1CC(C=O)OCC1 Amb25032291 [0,1,0,1,0,0|1,0,1]=4 7992 B9R1.2 CC1CC(CCO1)CO Amb24679585 [0,1,0,1,0,0|1,0,1]=4 7993 B9R1.2 CC1CC(CO)OCO1 Amb24520489 [0,1,0,1,0,0|1,0,1]=4 7994 B9R1.2 CC=1CC(CO)CCC1 Amb25320000 [0,1,0,1,0,0|2,0,0]=4 7995 B9R1.2 CCC1CC(=O)CCC1 Amb19335038 [0,1,0,1,0,0|2,0,0]=4 7996 B9R1.2 CCC1CC(=O)CCN1 Amb22228813 [0,1,0,1,0,0|2,0,0]=4 7997 B9R1.2 CCC1CC(=O)CCN1 Amb24589388 [0,1,0,1,0,0|2,0,0]=4 7998 B9R1.2 CCC1CC(=O)CCO1 Amb19373926 [0,1,0,1,0,0|2,0,0]=4 7999 B9R1.2 CCC1CC(=O)NCC1 Amb25791122 [0,1,0,1,0,0|2,0,0]=4 8000 B9R1.2 CCC1CC(=O)OCC1 Amb24707973 [0,1,0,1,0,0|1,0,0]=3 8001 B9R1.2 CCC1COCC(=O)N1 Amb10608051 [0,1,0,1,0,0|2,0,0]=4 8002 B9R1.2 CCN1CC(=O)OCC1 Amb24367827 [0,1,0,1,0,0|2,0,0]=4 8003 B9R1.2 CC[C@@H]1CC(=O)CCC1 Amb25373198 [0,1,0,1,0,0|2,0,0]=4 8004 B9R1.2 CC[C@@H]1CC(=O)CCN1 Amb24558461 [0,1,0,1,0,0|2,0,0]=4 8005 B9R1.2 CC[C@@H]1CC(=O)CCO1 Amb25373176 [0,1,0,1,0,0|2,0,0]=4 8006 B9R1.2 CC[C@@H]1COCC(=O)N1 Amb25146204 [0,1,0,1,0,0|2,0,0]=4 8007 B9R1.2 CC[C@H]1CC(=O)CCN1 Amb24652709 [0,1,0,1,0,0|2,0,0]=4 8008 B9R1.2 CC[C@H]1CC(=O)CCO1 Amb24633506 [0,1,0,1,0,0|2,0,0]=4 8009 B9R1.2 CC[C@H]1COCC(=O)N1 Amb25831485 [0,1,0,1,0,0|2,0,0]=4 8010 B9R1.2 COC1CC(=O)CCC1 Amb20671002 [0,1,0,1,0,0|2,0,0]=4 8011 B9R1.2 COC1CC=CC(=O)C1 Amb24636360 [0,1,0,1,0,0|2,0,0]=4 8012 B9R1.2 CSC1CC(=O)CCC1 Amb25328147 [0,1,0,1,0,0|2,0,0]=4 8013 B9R1.2 C[C@@H]1C[C@H](C=O)OCC1 Amb25366622 [0,1,0,1,0,0|1,0,1]=4 8014 B9R1.2 C[C@H]1C[C@H](C=O)OCC1 Amb25339741 [0,1,0,1,0,0|1,0,1]=4 8015 B9R1.2 ClCC1CCCC(=O)C1 Amb17593666 [0,1,0,1,0,0|2,0,0]=4 8016 B9R1.2 NCC1CC(=O)NCC1 Amb18832611 [0,1,0,1,0,0|2,0,0]=4 8017 B9R1.2 NCC1CC(=O)NCC1 Amb22405878 [0,1,0,1,0,0|2,0,0]=4 8018 B9R1.2 NCC1COCC(=O)N1 Amb24481993 [0,1,0,1,0,0|2,0,0]=4 8019 B9R1.2 O=C1COCC(CF)N1 Amb25316026 [0,1,0,1,0,0|2,0,0]=4 8020 B9R1.2 OC1CCCC(C1)CO Amb24429742 [0,1,0,1,0,0|1,0,1]=4 8021 B9R1.2 OCC1CC(=O)CC=C1 Amb24524209 [0,1,0,1,0,0|1,0,1]=4 8022 B9R1.2 OCC1CC(=O)CCN1 Amb25147026 [0,1,0,1,0,0|1,0,0]=3 8023 B9R1.2 OCC1CC(=O)NCC1 Amb21960758 [0,1,0,1,0,0|1,0,0]=3 8024 B9R1.2 OCC1CCCC(=O)C1 Amb16231079 [0,1,0,1,0,0|1,0,0]=3 8025 B9R1.2 OCC1CCCC(=O)N1 Amb13886257 [0,1,0,1,0,0|2,0,0]=4 8026 B9R1.2 OCC1CCOC(=S)O1 Amb24752278 [0,1,0,1,0,0|1,1,0]=4 8027 B9R1.2 OCC1COCC(=O)N1 Amb22236095 [0,1,0,1,0,0|1,0,0]=3 8028 B9R1.2 OCC1COCC(=O)O1 Amb25246215 [0,1,0,1,0,0|1,0,0]=3 8029 B9R1.2 OC[C@@H]1CC(=O)CCC1 Amb22748907 [0,1,0,1,0,0|1,0,0]=3 8030 B9R1.2 OC[C@@H]1CC=CC(=O)C1 Amb24658579 [0,1,0,1,0,0|1,0,0]=3 8031 B9R1.2 OC[C@@H]1CC=CC(=O)N1 Amb24581594 [0,1,0,1,0,0|2,0,0]=4 8032 B9R1.2 OC[C@@H]1CCCC(=O)N1 Amb22745829 [0,1,0,1,0,0|2,0,0]=4 8033 B9R1.2 OC[C@@H]1CCCC(=O)O1 Amb25045754 [0,1,0,1,0,0|2,0,0]=4 8034 B9R1.2 OC[C@H]1CCCC(=O)N1 Amb25187085 [0,1,0,1,0,0|2,0,0]=4 8035 B9R1.2 OC[C@H]1COCC(=O)N1 Amb25050078 [0,1,0,1,0,0|1,0,0]=3 8036 B9R1.2 O[C@@H]1C[C@@H](CC=C1)CO Amb22756427 [0,1,0,1,0,0|1,0,1]=4 8037 B9R1.2 O[C@H]1CNC[C@H](C1)CO Amb24558018 [0,1,0,1,0,0|1,0,1]=4 8038 B9R1.124 CCC1(CC(=O)N1)CC Amb25837293 [0,1,0,1,0,0|2,0,0]=4 8039 B9R1.124 CCC1(CO)CC(=O)N1 Amb25208650 [0,1,0,1,0,0|1,0,0]=3 8040 B9R1.124 CSC1(CN)CC(=O)C1 Amb25106808 [0,1,0,1,0,0|2,0,0]=4 8041 B9R1.124 NCC1(CC(O)C1)CO Amb22284846 [0,1,0,1,0,0|1,0,1]=4 8042 B9R1.124 OC1CC(C1)(CO)CO Amb23439559 [0,1,0,1,0,0|1,0,1]=4 8043 B9R1.128 C#CC1(CC(O)=O)CC1 Amb24524235 [0,1,0,1,0,0|1,0,1]=4 8044 B9R1.128 CC(=O)NC1(CO)CC1 Amb25189003 [0,1,0,1,0,0|2,0,0]=4 8045 B9R1.128 CCC1(CC(O)=O)CC1 Amb18832628 [0,1,0,1,0,0|1,0,0]=3 8046 B9R1.128 CCC1(CO1)CC(C)=O Amb24378943 [0,1,0,1,0,0|1,0,0]=3 8047 B9R1.128 NC(=N)CC1(CO)CC1 Amb24679569 [0,1,0,1,0,0|2,0,0]=4 8048 B9R1.128 NC(=O)CC1(CS)CC1 Amb25809450 [0,1,0,1,0,0|1,1,0]=4 8049 B9R1.128 NC(=O)NC1(CO)CC1 Amb25331641 [0,1,0,1,0,0|2,0,0]=4 8050 B9R1.128 NCC1(CC(O)=O)CC1 Amb24178895 [0,1,0,1,0,0|1,0,0]=3 8051 B9R1.128 NCC1(CC(O)=O)CC1 Amb24556109 [0,1,0,1,0,0|1,0,0]=3 8052 B9R1.128 OC(=O)CC1(CBr)CC1 Amb24379039 [0,1,0,1,0,0|1,0,0]=3 8053 B9R1.128 OC(=O)CC1(CC1)C=S Amb24368221 [0,1,0,1,0,0|0,1,1]=4 8054 B9R1.128 OCC1(CC1)CC(=O)O Amb13883569 [0,1,0,1,0,0|0,0,0]=2 8055 B9R1.21 COC=1C[C@H](CO)ON1 Amb24395525 [0,1,0,1,0,0|2,0,0]=4 8056 B9R1.21 N#CC1=C[C@@H](CO)CO1 Amb24700785 [0,1,0,1,0,0|1,0,1]=4 8057 B9R1.21 OCC1CC=C(C=O)O1 Amb24418450 [0,1,0,1,0,0|2,0,0]=4 8058 B9R1.21 OCC1CN(CC1)C=O Amb24737938 [0,1,0,1,0,0|2,0,0]=4 8059 B9R1.21 OCC=1CC(CC1)CO Amb24340095 [0,1,0,1,0,0|1,0,0]=3 8060 B9R1.21 OCC=1CCC(CO)C1 Amb24353167 [0,1,0,1,0,0|1,0,1]=4 8061 B9R1.21 OCC=1C[C@@H](CO)ON1 Amb25680667 [0,1,0,1,0,0|2,0,0]=4 8062 B9R1.21 OC[C@H]1C[C@H](CC1)CO Amb25847797 [0,1,0,1,0,0|1,0,1]=4 8063 B9R1.21 ON=C1CC(CCl)CC1 Amb25287955 [0,1,0,1,0,0|2,0,0]=4 8064 B9R1.23 C=C1CC(CO)OC1=O Amb24524234 [0,1,0,1,0,0|2,0,0]=4 8065 B9R1.23 C=C1C[C@H](CO)OC1=O Amb24733132 [0,1,0,1,0,0|2,0,0]=4 8066 B9R1.23 CC1=CC(CC1O)CO Amb24392318 [0,1,0,1,0,0|1,0,1]=4 8067 B9R1.23 CC1=C[C@@H](C[C@@H]1O)CO Amb24622432 [0,1,0,1,0,0|1,0,1]=4 8068 B9R1.23 CC1=C[C@@H](C[C@H]1O)CO Amb25236028 [0,1,0,1,0,0|1,0,1]=4 8069 B9R1.23 CC1CC(CC)OC1O Amb24685732 [0,1,0,1,0,0|1,0,1]=4 8070 B9R1.23 CC1CC(CO)OC1=O Amb24371209 [0,1,0,1,0,0|2,0,0]=4 8071 B9R1.23 CC1CN(CC1O)C=O Amb25183690 [0,1,0,1,0,0|2,0,0]=4 8072 B9R1.23 CC=1CC(CO)CC1C Amb25215698 [0,1,0,1,0,0|2,0,0]=4 8073 B9R1.23 CCC1CC(=O)C(=O)C1 Amb25838664 [0,1,0,1,0,0|1,0,1]=4 8074 B9R1.23 CCC1CC(=O)C(O)=C1 Amb25706973 [0,1,0,1,0,0|1,0,1]=4 8075 B9R1.23 CCC1CC(O)C(=O)N1 Amb24426760 [0,1,0,1,0,0|2,0,0]=4 8076 B9R1.23 CN1CC(CN)CC1=O Amb22587624 [0,1,0,1,0,0|2,0,0]=4 8077 B9R1.23 CN1CC(CO)NC1=O Amb24745579 [0,1,0,1,0,0|2,0,0]=4 8078 B9R1.23 CN1C[C@H](CO)OC1=O Amb22225374 [0,1,0,1,0,0|2,0,0]=4 8079 B9R1.23 CN1OC(CO)CC1=O Amb24603958 [0,1,0,1,0,0|2,0,0]=4 8080 B9R1.23 CN1O[C@H](CO)CC1=O Amb24697889 [0,1,0,1,0,0|2,0,0]=4 8081 B9R1.23 C[C@@H]1C[C@@H](CO)NC1=O Amb25340422 [0,1,0,1,0,0|2,0,0]=4 8082 B9R1.23 C[C@@H]1C[C@@H](CO)OC1=O Amb24612854 [0,1,0,1,0,0|2,0,0]=4 8083 B9R1.23 C[C@@H]1C[C@H](CO)OC1=O Amb24672472 [0,1,0,1,0,0|2,0,0]=4 8084 B9R1.23 C[C@H]1CC(CO)OC1=O Amb25078626 [0,1,0,1,0,0|2,0,0]=4 8085 B9R1.23 NC1CC(CO)NC1=O Amb25124342 [0,1,0,1,0,0|2,0,0]=4 8086 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [0,1,0,1,0,0|2,0,0]=4 8087 B9R1.23 N[C@@H]1C[C@@H](CO)NC1=O Amb24645846 [0,1,0,1,0,0|2,0,0]=4 8088 B9R1.23 N[C@@H]1C[C@@H](CO)OC1=O Amb25327262 [0,1,0,1,0,0|2,0,0]=4 8089 B9R1.23 N[C@@H]1C[C@@H](C[C@@H]1O)CO Amb25377841 [0,1,0,1,0,0|1,0,1]=4 8090 B9R1.23 N[C@H]1CC(CO)OC1=O Amb25771995 [0,1,0,1,0,0|2,0,0]=4 8091 B9R1.23 N[C@H]1C[C@@H](CO)NC1=O Amb24561327 [0,1,0,1,0,0|2,0,0]=4 8092 B9R1.23 N[C@H]1C[C@H](CO)OC1=O Amb24567157 [0,1,0,1,0,0|2,0,0]=4 8093 B9R1.23 N[C@H]1C[C@H](C[C@@H]1O)CO Amb24531745 [0,1,0,1,0,0|1,0,1]=4 8094 B9R1.23 N[C@H]1C[C@H](C[C@H]1O)CO Amb24567086 [0,1,0,1,0,0|1,0,1]=4 8095 B9R1.23 OCC1CC(=O)N(C1)C Amb10607401 [0,1,0,1,0,0|1,0,0]=3 8096 B9R1.23 OC[C@@H]1C[C@@H](F)C(=O)N1 Amb24680941 [0,1,0,1,0,0|2,0,0]=4 8097 B9R1.23 O[C@@H]1C[C@H](CCl)OC1=O Amb25213067 [0,1,0,1,0,0|2,0,0]=4 8098 B9R1.23 O[C@@H]1C[C@H](CO)OC1=O Amb25324131 [0,1,0,1,0,0|1,0,0]=3 8099 B9R1.79 C#CC(=O)CC1CNC1 Amb25807932 [0,1,0,1,0,0|2,0,0]=4 8100 B9R1.79 C=CC(=O)CC1CCC1 Amb24746067 [0,1,0,1,0,0|2,0,0]=4 8101 B9R1.79 C=CC(=O)CC1CNC1 Amb25774002 [0,1,0,1,0,0|2,0,0]=4 8102 B9R1.79 CCC(=O)CC1CNC1 Amb25060246 [0,1,0,1,0,0|2,0,0]=4 8103 B9R1.79 CCC(=O)NC1COC1 Amb24419092 [0,1,0,1,0,0|2,0,0]=4 8104 B9R1.79 CCC(=O)OC1COC1 Amb24621121 [0,1,0,1,0,0|2,0,0]=4 8105 B9R1.79 CNC(=O)CC1CCC1 Amb25679813 [0,1,0,1,0,0|2,0,0]=4 8106 B9R1.79 CNC(=O)CC1CNC1 Amb25188925 [0,1,0,1,0,0|2,0,0]=4 8107 B9R1.79 COC(=N)CC1CCC1 Amb25728236 [0,1,0,1,0,0|2,0,0]=4 8108 B9R1.79 COC(=O)C=C1COC1 Amb21928013 [0,1,0,1,0,0|0,0,2]=4 8109 B9R1.79 COC(=O)CC1CNC1 Amb21960730 [0,1,0,1,0,0|1,0,0]=3 8110 B9R1.79 COC(=O)CC1CNC1 Amb21962978 [0,1,0,1,0,0|1,0,0]=3 8111 B9R1.79 COC(=O)CC1CNC1 Amb22057369 [0,1,0,1,0,0|1,0,0]=3 8112 B9R1.79 COC(=O)CC1COC1 Amb21960725 [0,1,0,1,0,0|0,0,0]=2 8113 B9R1.79 COC(=O)CN1CCC1 Amb24481984 [0,1,0,1,0,0|2,0,0]=4 8114 B9R1.79 COC(=O)NC1CCC1 Amb24761329 [0,1,0,1,0,0|2,0,0]=4 8115 B9R1.79 NC(CC1CCC1)=NO Amb24479922 [0,1,0,1,0,0|2,0,0]=4 8116 B9R1.79 NC(CC1COC1)CO Amb25180508 [0,1,0,1,0,0|1,0,1]=4 8117 B9R1.79 NCC(=O)CC1CCC1 Amb24680522 [0,1,0,1,0,0|2,0,0]=4 8118 B9R1.79 NCC(=O)OC1COC1 Amb23454876 [0,1,0,1,0,0|2,0,0]=4 8119 B9R1.79 O=C(CBr)CC1CCC1 Amb24392754 [0,1,0,1,0,0|2,0,0]=4 8120 B9R1.79 O=C(CBr)NC1COC1 Amb24742835 [0,1,0,1,0,0|2,0,0]=4 8121 B9R1.79 O=C(CBr)OC1COC1 Amb23454879 [0,1,0,1,0,0|2,0,0]=4 8122 B9R1.79 O=C(CCl)CC1CCC1 Amb24655482 [0,1,0,1,0,0|2,0,0]=4 8123 B9R1.79 OCC(=O)OC1CCC1 Amb25802506 [0,1,0,1,0,0|2,0,0]=4 8124 B9R1.79 OCC(=O)OC1COC1 Amb24683681 [0,1,0,1,0,0|1,0,0]=3 8125 B9R1.79 ONC(=O)CC1CCC1 Amb24641259 [0,1,0,1,0,0|1,0,0]=3 8126 B9R1.79 ONC(=O)CC1CNC1 Amb24478635 [0,1,0,1,0,0|1,0,0]=3 8127 B9R1.88 CC(CO)C1OC1CC Amb25856418 [0,1,0,1,0,0|1,0,1]=4 8128 B9R1.88 CCC1CC1C(=O)C#C Amb25374204 [0,1,0,1,0,0|2,0,0]=4 8129 B9R1.88 CCC1CC1C(=O)NC Amb25264117 [0,1,0,1,0,0|2,0,0]=4 8130 B9R1.88 CCC1CC1C(=O)OC Amb24601476 [0,1,0,1,0,0|1,0,0]=3 8131 B9R1.88 CC[C@@H]1C[C@H]1C(=O)C=C Amb25335783 [0,1,0,1,0,0|2,0,0]=4 8132 B9R1.88 CC[C@@H]1C[C@H]1C(=O)CN Amb25198853 [0,1,0,1,0,0|2,0,0]=4 8133 B9R1.88 COC(=O)C1C=C1CO Amb24519408 [0,1,0,1,0,0|0,0,2]=4 8134 B9R1.88 COC(=O)C1CC1C=C Amb24387009 [0,1,0,1,0,0|1,0,1]=4 8135 B9R1.88 COC(=O)C1CC1C=O Amb24480363 [0,1,0,1,0,0|0,0,2]=4 8136 B9R1.88 COC(=O)C1CC1CBr Amb25122701 [0,1,0,1,0,0|1,0,0]=3 8137 B9R1.88 COC(=O)C1CC1CN Amb22011650 [0,1,0,1,0,0|1,0,0]=3 8138 B9R1.88 COC(=O)C1CC1CN Amb22546318 [0,1,0,1,0,0|1,0,0]=3 8139 B9R1.88 COC(=O)C1CC1CO Amb25185377 [0,1,0,1,0,0|0,0,0]=2 8140 B9R1.88 COC(=O)C1OC1CBr Amb25690928 [0,1,0,1,0,0|2,0,0]=4 8141 B9R1.88 COC(=O)[C@@H]1CC1CO Amb25831869 [0,1,0,1,0,0|0,0,0]=2 8142 B9R1.88 COC(=O)[C@@H]1C[C@@H]1C=O Amb24617207 [0,1,0,1,0,0|0,0,2]=4 8143 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN Amb22900923 [0,1,0,1,0,0|1,0,0]=3 8144 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CO Amb24575289 [0,1,0,1,0,0|0,0,0]=2 8145 B9R1.88 COC(=O)[C@@H]1C[C@H]1C#N Amb24579735 [0,1,0,1,0,0|1,0,1]=4 8146 B9R1.88 COC(=O)[C@@H]1C[C@H]1CN Amb24517267 [0,1,0,1,0,0|1,0,0]=3 8147 B9R1.88 COC(=O)[C@@H]1O[C@H]1CBr Amb25236632 [0,1,0,1,0,0|2,0,0]=4 8148 B9R1.88 COC(=O)[C@@H]1O[C@H]1CO Amb24107515 [0,1,0,1,0,0|1,0,0]=3 8149 B9R1.88 COC(=O)[C@H]1C[C@@H]1C=O Amb24722901 [0,1,0,1,0,0|0,0,2]=4 8150 B9R1.88 C[C@@H](CO)[C@@H]1O[C@@H]1CC Amb25175446 [0,1,0,1,0,0|1,0,1]=4 8151 B9R1.88 C[C@H](CO)[C@H]1O[C@H]1CC Amb24632278 [0,1,0,1,0,0|1,0,1]=4 8152 B9R1.88 NNC(=O)C1CC1CO Amb24576885 [0,1,0,1,0,0|1,0,0]=3 8153 B9R1.88 NNC(=O)[C@@H]1C[C@H]1CO Amb25177034 [0,1,0,1,0,0|1,0,0]=3 8154 B9R1.88 NNC(=O)[C@H]1C[C@H]1CO Amb24598763 [0,1,0,1,0,0|1,0,0]=3 8155 B9R1.113 CC1(CC(=C)CO)CC1 Amb25687574 [0,1,0,1,0,0|2,0,0]=4 8156 B9R1.113 CC1(CC(=O)NO)CC1 Amb25741100 [0,1,0,1,0,0|1,0,0]=3 8157 B9R1.113 CCC(=O)CC1(C)CO1 Amb25032167 [0,1,0,1,0,0|1,0,0]=3 8158 B9R1.113 COC(=O)CC1(N)CC1 Amb21962518 [0,1,0,1,0,0|2,0,0]=4 8159 B9R1.113 COC(=O)CC1(N)CC1 Amb22001404 [0,1,0,1,0,0|2,0,0]=4 8160 B9R1.187 C[C@H]1[C@@H](C1=C)C(=O)OC Amb24514937 [0,1,0,1,0,0|1,0,1]=4 8161 B9R1.206 CC1(CC1(C)CO)CO Amb24502358 [0,1,0,1,0,0|1,0,1]=4 8162 B9R1.206 C[C@]1(C[C@@]1(Cl)C=O)CO Amb25202441 [0,1,0,1,0,0|1,0,1]=4 8163 B9R1.36 CC1CC(C)(C)OC1O Amb25214654 [0,1,0,1,0,0|1,0,1]=4 8164 B9R1.36 CC1OP(O)(=O)OC1C Amb25195066 [0,1,0,1,0,0|2,0,0]=4 8165 B9R1.36 CC1OS(=O)(=O)CC1C Amb25174069 [0,1,0,1,0,0|1,0,1]=4 8166 B9R1.36 OC1CS(=O)(=O)CC1C Amb2233406 [0,1,0,1,0,0|1,0,1]=4 8167 B9R1.139 CC(=O)C1C(Cl)C1(C)C Amb25685934 [0,1,0,1,0,0|2,0,0]=4 8168 B9R1.139 CC(=O)[C@@H]1[C@@H](Cl)C1(C)C Amb24356148 [0,1,0,1,0,0|2,0,0]=4 8169 B9R1.139 CC(=O)[C@@H]1[C@H](Br)C1(C)C Amb25372498 [0,1,0,1,0,0|2,0,0]=4 8170 B9R1.139 CC(=O)[C@@H]1[C@H](Cl)C1(C)C Amb25696574 [0,1,0,1,0,0|2,0,0]=4 8171 B9R1.139 CC1(C)C(C1=C)C(O)=O Amb25188905 [0,1,0,1,0,0|1,0,1]=4 8172 B9R1.139 CC1(C)C(Cl)C1C(O)=O Amb25772915 [0,1,0,1,0,0|1,0,0]=3 8173 B9R1.139 CC1(C)[C@@H](Br)[C@H]1C(O)=O Amb24593888 [0,1,0,1,0,0|1,0,0]=3 8174 B9R1.139 CC1(C)[C@H](Cl)[C@@H]1C(O)=O Amb24674137 [0,1,0,1,0,0|1,0,0]=3 8175 B9R1.139 CC1C(C(=O)Cl)C1(C)C Amb25088892 [0,1,0,1,0,0|2,0,0]=4 8176 B9R1.139 CC1C(C(=O)Cl)C1(F)F Amb25728049 [0,1,0,1,0,0|2,0,0]=4 8177 B9R1.139 CC1C(C(C)=O)C1(C)Cl Amb25701016 [0,1,0,1,0,0|2,0,0]=4 8178 B9R1.139 CC1C(C(C)=O)C1(Cl)Cl Amb24456530 [0,1,0,1,0,0|2,0,0]=4 8179 B9R1.139 CC1C(C(N)=O)C1(C)C Amb24700436 [0,1,0,1,0,0|2,0,0]=4 8180 B9R1.139 CC1C(C(O)=O)C1(C)C Amb25296484 [0,1,0,1,0,0|1,0,0]=3 8181 B9R1.139 CC1C(C(O)=O)C1(F)F Amb19515667 [0,1,0,1,0,0|1,0,0]=3 8182 B9R1.139 C[C@@H]1[C@@H](C(=O)Cl)C1(C)C Amb24691335 [0,1,0,1,0,0|2,0,0]=4 8183 B9R1.139 C[C@@H]1[C@@H](C(C)=O)[C@]1(C)Cl Amb24577773 [0,1,0,1,0,0|2,0,0]=4 8184 B9R1.139 C[C@H]1[C@H](C(O)=O)C1(Cl)Cl Amb25275824 [0,1,0,1,0,0|1,0,0]=3 8185 B9R1.152 CC(=O)[C@]1(C)CC(=O)O1 Amb24340260 [0,1,0,1,0,0|0,0,2]=4 8186 B9R1.152 CC(Cl)C1(C)CC(=O)O1 Amb25701611 [0,1,0,1,0,0|1,0,0]=3 8187 B9R1.152 CC1(CC(=O)C1)C(O)=O Amb22406208 [0,1,0,1,0,0|1,0,1]=4 8188 B9R1.161 CC(=C)[C@@H]1C[C@@H]1C(O)=O Amb24514832 [0,1,0,1,0,0|1,0,1]=4 8189 B9R1.161 CC(C)C1CC1C(O)=O Amb18285139 [0,1,0,1,0,0|1,0,0]=3 8190 B9R1.161 CC(C)[C@@H]1C[C@@H]1C(C)=O Amb24610096 [0,1,0,1,0,0|2,0,0]=4 8191 B9R1.161 CC(C)[C@@H]1C[C@H]1C(C)=O Amb24621711 [0,1,0,1,0,0|2,0,0]=4 8192 B9R1.161 CC(C)[C@@H]1O[C@@H]1C(O)=O Amb24546994 [0,1,0,1,0,0|2,0,0]=4 8193 B9R1.161 CC(C)[C@H]1O[C@@H]1C(O)=O Amb25229035 [0,1,0,1,0,0|2,0,0]=4 8194 B9R1.161 CC(O)C1OC1C(O)=O Amb25227852 [0,1,0,1,0,0|1,0,0]=3 8195 B9R1.161 C[C@@H](O)[C@H]1O[C@@H]1C(O)=O Amb25224671 [0,1,0,1,0,0|1,0,0]=3 8196 B9R1.161 C[C@H](O)[C@@H]1O[C@@H]1C(O)=O Amb25368573 [0,1,0,1,0,0|1,0,0]=3 8197 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,1,0,1,0,0|0,0,2]=4 8198 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [0,1,0,1,0,0|0,0,2]=4 8199 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [0,1,0,1,0,0|0,0,1]=3 8200 B9R1.161 OC(=O)C1CC1C(F)F Amb25338314 [0,1,0,1,0,0|1,0,0]=3 8201 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [0,1,0,1,0,0|0,0,2]=4 8202 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [0,1,0,1,0,0|0,0,2]=4 8203 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(F)F Amb24654017 [0,1,0,1,0,0|1,0,0]=3 8204 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [0,1,0,1,0,0|0,0,1]=3 8205 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [0,1,0,1,0,0|1,0,1]=4 8206 B9R1.161 OC(=O)[C@H]1C[C@@H]1C(F)F Amb25360822 [0,1,0,1,0,0|1,0,0]=3 8207 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [0,1,0,1,0,0|1,0,1]=4 8208 B9R1.161 [O-][N+](=O)[C@@H]1C[C@H]1C(O)=O Amb25109456 [0,1,0,1,0,0|1,0,1]=4 8209 B9R1.161 [O-][N+](=O)[C@H]1C[C@H]1C(O)=O Amb25755764 [0,1,0,1,0,0|1,0,1]=4 8210 B9R1.170 CC(=O)CC1CC1(C)C Amb24722807 [0,1,0,1,0,0|2,0,0]=4 8211 B9R1.170 CC(=O)CC1CC1(F)F Amb25370357 [0,1,0,1,0,0|2,0,0]=4 8212 B9R1.170 CC1(C)CC1CC(O)=O Amb25145962 [0,1,0,1,0,0|1,0,0]=3 8213 B9R1.170 CC1(C)O[C@H]1CC(O)=O Amb25719083 [0,1,0,1,0,0|2,0,0]=4 8214 B9R1.170 NC(=O)CC1CC1(F)F Amb24393874 [0,1,0,1,0,0|2,0,0]=4 8215 B9R1.170 OC(=O)CC1CC1(F)F Amb22411507 [0,1,0,1,0,0|1,0,0]=3 8216 B9R1.87 CS(=O)(=O)C1CC1CO Amb23453033 [0,1,0,1,0,0|1,0,1]=4 8217 B9R1.87 NCC1CC1S(O)(=O)=O Amb24513720 [0,1,0,1,0,0|2,0,0]=4 8218 B9R1.87 NC[C@@H]1C[C@H]1S(O)(=O)=O Amb25307974 [0,1,0,1,0,0|2,0,0]=4 8219 B9R1.87 NC[C@H]1C[C@H]1S(O)(=O)=O Amb24562931 [0,1,0,1,0,0|2,0,0]=4 8220 B9R1.114 O=S(=O)(Cl)CC1COC1 Amb24481874 [0,1,0,1,0,0|1,0,1]=4 8221 B9R1.200 CC1(C)CC(C)(CO)O1 Amb24386966 [0,1,0,1,0,0|1,0,1]=4 8222 B9R1.200 NC1(CO)CS(=O)(=O)C1 Amb24666916 [0,1,0,1,0,0|1,0,1]=4 8223 B9R1.156 CC(C)(CO)C1OC1=O Amb17942848 [0,1,0,1,0,0|0,0,0]=2 8224 B9R1.156 CC(C)(CO)[C@H]1OC1=O Amb24532903 [0,1,0,1,0,0|0,0,0]=2 8225 B9R1.156 OCC([C@@H]1OC1=O)(C)C Amb10603242 [0,1,0,1,0,0|0,0,0]=2 8226 B9R1.166 CC(=O)C1CCC1(C)F Amb24582230 [0,1,0,1,0,0|2,0,0]=4 8227 B9R1.166 CC1(C)CCC1C(O)=O Amb25032090 [0,1,0,1,0,0|1,0,0]=3 8228 B9R1.166 CC1(C)CNC1C(O)=O Amb24117326 [0,1,0,1,0,0|1,0,0]=3 8229 B9R1.166 OC(=O)C1CCC1(F)F Amb24452747 [0,1,0,1,0,0|2,0,0]=4 8230 B9R2.18 CC1C2CNC(=O)C21 Amb24516348 [0,0,0,2,0,0|2,0,0]=4 8231 B9R2.20 O=C1NCC2CCC12 Amb24121240 [0,0,0,2,0,0|2,0,0]=4 8232 B9R2.31 C[C@@H]1[C@@H]2C[C@H]1CC2=O Amb24588878 [0,0,0,2,0,0|2,0,0]=4 8233 B9R2.31 O=C1CC2CC1C2Cl Amb24753521 [0,0,0,2,0,0|2,0,0]=4 8234 B9R2.33 O=C1C[C@@H]2CC[C@H]2C1 Amb24614774 [0,0,0,2,0,0|2,0,0]=4 8235 B9R2.33 O=C1C[C@H]2CC[C@@H]2C1 Amb24724072 [0,0,0,2,0,0|2,0,0]=4 8236 B9R2.39 O=C1CC2COC1C2 Amb24734169 [0,0,0,2,0,0|1,0,0]=3 8237 B9R2.39 O=C1C[C@@H]2C[C@@H]1CC2 Amb25205819 [0,0,0,2,0,0|2,0,0]=4 8238 B9R2.39 O=C1C[C@@H]2C[C@H]1CC2 Amb24583541 [0,0,0,2,0,0|2,0,0]=4 8239 B9R2.39 O=C1C[C@H]2CO[C@@H]1C2 Amb24571771 [0,0,0,2,0,0|1,0,0]=3 8240 B9R2.39 O=C1NC2COC1C2 Amb24547028 [0,0,0,2,0,0|2,0,0]=4 8241 B9R2.39 OC1CC2CC1CO2 Amb25265659 [0,0,0,2,0,0|1,0,1]=4 8242 B9R2.39 OC1CC2COC1C2 Amb25241390 [0,0,0,2,0,0|1,0,1]=4 8243 B9R2.39 O[C@@H]1C[C@H]2CO[C@H]1C2 Amb24748508 [0,0,0,2,0,0|1,0,1]=4 8244 B9R2.47 OCC1C[C@@H]2O[C@@H]2C1 Amb24423370 [0,0,0,2,0,0|1,0,1]=4 8245 B9R2.47 OC[C@@H]1C[C@@H]2O[C@@H]2C1 Amb25854390 [0,0,0,2,0,0|1,0,1]=4 8246 B9R2.54 C[C@@H]1[C@@H]2CC(=O)C[C@@H]21 Amb24602923 [0,0,0,2,0,0|2,0,0]=4 8247 B9R2.54 C[C@@H]1[C@H]2CC(=O)C[C@H]21 Amb24645439 [0,0,0,2,0,0|2,0,0]=4 8248 B9R2.70 OC[C@@H]1CC[C@@H]2O[C@@H]21 Amb25206596 [0,0,0,2,0,0|1,0,1]=4 8249 B9R2.139 O=C1CC2(CO1)CC2 Amb25662215 [0,0,0,2,0,0|1,0,0]=3 8250 B9R2.139 O=C1NC2(CO1)CC2 Amb24572471 [0,0,0,2,0,0|2,0,0]=4 8251 B9R2.8 O=C1CC2CC(C1)C2 Amb25706934 [0,0,0,2,0,0|2,0,0]=4 8252 B9R2.8 O=C1NC2CC(C2)O1 Amb24524286 [0,0,0,2,0,0|2,0,0]=4 8253 B9R2.21 O=C1C[C@@H]2C[C@H]2CC1 Amb25294409 [0,0,0,2,0,0|2,0,0]=4 8254 B9R2.21 O=C1N[C@H]2C[C@H]2CO1 Amb24630201 [0,0,0,2,0,0|2,0,0]=4 8255 B9R2.25 C[C@@H]1CC(=O)[C@H]2O[C@H]21 Amb25348559 [0,0,0,2,0,0|1,0,0]=3 8256 B9R2.25 O=C1OC(=O)C2C1C2 Amb2445133 [0,0,0,2,0,0|0,0,2]=4 8257 B9R2.25 OC1OC(=O)C2CC21 Amb25809854 [0,0,0,2,0,0|0,0,0]=2 8258 B9R2.25 O[C@H]1CC(=O)[C@H]2O[C@H]21 Amb24626593 [0,0,0,2,0,0|2,0,0]=4 8259 B9R2.38 CC12CC(=C)CC1O2 Amb24678178 [0,0,0,2,0,0|2,0,0]=4 8260 B9R2.38 CC12CC1CC(=O)C2 Amb24357249 [0,0,0,2,0,0|2,0,0]=4 8261 B9R2.109 O=C1CCCC2C1C2 Amb17593139 [0,0,0,2,0,0|2,0,0]=4 8262 B9R2.109 O=C1CCC[C@@H]2C[C@@H]12 Amb24512517 [0,0,0,2,0,0|2,0,0]=4 8263 B9R2.109 O=C1CCC[C@H]2C[C@@H]12 Amb24723004 [0,0,0,2,0,0|2,0,0]=4 8264 B9R2.109 O=C1NCCC2CC12 Amb25717930 [0,0,0,2,0,0|2,0,0]=4 8265 B9R2.37 C[C@@H]1[C@@H](O)C[C@H]2O[C@H]21 Amb24688268 [0,0,0,2,0,0|1,0,1]=4 8266 B9R2.150 CC(=O)[C@@H]1C[C@@H]2C[C@@H]21 Amb25179150 [0,0,0,2,0,0|2,0,0]=4 8267 B9R2.150 OC(=O)C1CC2CC21 Amb25049722 [0,0,0,2,0,0|1,0,0]=3 8268 B9R2.150 OC(=O)C1NC2CC12 Amb25376606 [0,0,0,2,0,0|1,0,0]=3 8269 B9R2.144 NC(=O)C12CC1CC2 Amb25678261 [0,0,0,2,0,0|2,0,0]=4 8270 B9R2.147 OC(=O)C1[C@@H]2C[C@H]1C2 Amb24409084 [0,0,0,2,0,0|1,0,0]=3 8271 B9R2.138 O=C1CC2(C1)CCC2 Amb20668529 [0,0,0,2,0,0|2,0,0]=4 8272 B9R2.138 O=C1CC2(CCC2)N1 Amb19149093 [0,0,0,2,0,0|2,0,0]=4 8273 B9R2.138 O=C1CC2(CNC2)C1 Amb25747338 [0,0,0,2,0,0|2,0,0]=4 8274 B9R2.138 O=C1CC2(CNC2)N1 Amb25119349 [0,0,0,2,0,0|2,0,0]=4 8275 B9R2.138 O=C1CC2(COC2)C1 Amb22406126 [0,0,0,2,0,0|1,0,0]=3 8276 B9R2.138 O=C1CC2(COC2)N1 Amb24592907 [0,0,0,2,0,0|1,0,0]=3 8277 B9R2.138 O=C1CC2(CSC2)C1 Amb22406070 [0,0,0,2,0,0|1,1,0]=4 8278 B9R2.138 OC1CC2(COC2)C1 Amb22228783 [0,0,0,2,0,0|1,0,1]=4 8279 B9R2.148 CC(=O)[C@@H]1[C@H]2CC[C@H]21 Amb24708035 [0,0,0,2,0,0|2,0,0]=4 8280 B9R2.148 OC(=O)C1C2CCC21 Amb24350799 [0,0,0,2,0,0|1,0,0]=3 8281 B9R2.148 OC(=O)[C@@H]1[C@@H]2CC[C@@H]21 Amb24568902 [0,0,0,2,0,0|1,0,0]=3 8282 B9R2.143 CC(=O)C1CC12CC2 Amb24725286 [0,0,0,2,0,0|2,0,0]=4 8283 B9R2.44 C=C1C[C@]12C[C@H]2CO Amb24533853 [0,0,0,2,0,0|2,0,0]=4 8284 B5R0.5 C(=O)([2H])N(C)C Amb16185565 [1,0,0,0,1,0|2,0,0]=4 8285 B5R0.5 CC(=C)C(O)=O Amb22230681 [1,0,0,0,1,0|0,0,2]=4 8286 B5R0.5 CC(=C)C(O)=O Amb22337777 [1,0,0,0,1,0|0,0,2]=4 8287 B5R0.5 CC(=C)C(O)=O Amb22351305 [1,0,0,0,1,0|0,0,2]=4 8288 B5R0.5 CC(=C)C(O)=O Amb22351871 [1,0,0,0,1,0|0,0,2]=4 8289 B5R0.5 CC(=C)C(O)=O Amb22351927 [1,0,0,0,1,0|0,0,2]=4 8290 B5R0.5 CC(=O)C(F)C Amb10841897 [1,0,0,0,1,0|2,0,0]=4 8291 B5R0.5 CC(=O)C(N)C Amb17593029 [1,0,0,0,1,0|2,0,0]=4 8292 B5R0.5 CC(=O)C(O)O Amb22436762 [1,0,0,0,1,0|2,0,0]=4 8293 B5R0.5 CC(=O)N(C)O Amb24066817 [1,0,0,0,1,0|2,0,0]=4 8294 B5R0.5 CC(Br)C(N)=O Amb22491874 [1,0,0,0,1,0|2,0,0]=4 8295 B5R0.5 CC(Br)[13C](O)=O Amb22351913 [1,0,0,0,1,0|1,0,0]=3 8296 B5R0.5 CC(C(=O)N)C Amb1153145 [1,0,0,0,1,0|1,0,0]=3 8297 B5R0.5 CC(C(=O)N)Cl Amb1151918 [1,0,0,0,1,0|2,0,0]=4 8298 B5R0.5 CC(C(=O)O)F Amb10605770 [1,0,0,0,1,0|1,0,0]=3 8299 B5R0.5 CC(C)C(=C)Br Amb22583736 [1,0,0,0,1,0|2,0,0]=4 8300 B5R0.5 CC(C)C(=O)Br Amb22731066 [1,0,0,0,1,0|1,0,0]=3 8301 B5R0.5 CC(C)C(=O)F Amb25848493 [1,0,0,0,1,0|1,0,0]=3 8302 B5R0.5 CC(C)C(O)O Amb25662421 [1,0,0,0,1,0|0,0,2]=4 8303 B5R0.5 CC(C)C(S)=S Amb25200225 [1,0,0,0,1,0|0,2,0]=4 8304 B5R0.5 CC(C)C([O-])=O Amb22045473 [1,0,0,0,1,0|0,0,1]=3 8305 B5R0.5 CC(C)C([O-])=O Amb22730398 [1,0,0,0,1,0|0,0,1]=3 8306 B5R0.5 CC(C)C([O-])=O Amb22734686 [1,0,0,0,1,0|0,0,1]=3 8307 B5R0.5 CC(C)S(N)=O Amb25675545 [1,0,0,0,1,0|2,0,0]=4 8308 B5R0.5 CC(C)S([O-])=O Amb19929129 [1,0,0,0,1,0|1,0,1]=4 8309 B5R0.5 CC(Cl)C(=O)Br Amb24602442 [1,0,0,0,1,0|2,0,0]=4 8310 B5R0.5 CC(F)C(=O)Cl Amb24472500 [1,0,0,0,1,0|2,0,0]=4 8311 B5R0.5 CC(I)C(=O)Cl Amb24559615 [1,0,0,0,1,0|2,0,0]=4 8312 B5R0.5 CC(I)C(N)=O Amb25684673 [1,0,0,0,1,0|2,0,0]=4 8313 B5R0.5 CC(N)C(=O)Br Amb25184851 [1,0,0,0,1,0|2,0,0]=4 8314 B5R0.5 CC(N)C(C)=O Amb19148817 [1,0,0,0,1,0|2,0,0]=4 8315 B5R0.5 CC(N)C(N)=O Amb21958673 [1,0,0,0,1,0|2,0,0]=4 8316 B5R0.5 CC(N)P(O)=O Amb25147710 [1,0,0,0,1,0|2,0,0]=4 8317 B5R0.5 CC(N)[13C](O)=O Amb22336671 [1,0,0,0,1,0|1,0,0]=3 8318 B5R0.5 CC(O)C(=C)F Amb25695653 [1,0,0,0,1,0|2,0,0]=4 8319 B5R0.5 CC(O)C(=C)I Amb24736518 [1,0,0,0,1,0|2,0,0]=4 8320 B5R0.5 CC(O)C(=O)Cl Amb25045690 [1,0,0,0,1,0|1,0,0]=3 8321 B5R0.5 CC(O)C(N)=N Amb22587521 [1,0,0,0,1,0|2,0,0]=4 8322 B5R0.5 CC(O)C(N)=S Amb23449309 [1,0,0,0,1,0|1,1,0]=4 8323 B5R0.5 CC(O)C(O)=O Amb22350027 [1,0,0,0,1,0|0,0,0]=2 8324 B5R0.5 CC(O)C(O)Br Amb25274110 [1,0,0,0,1,0|1,0,1]=4 8325 B5R0.5 CC(O)C(O)Cl Amb25147284 [1,0,0,0,1,0|1,0,1]=4 8326 B5R0.5 CC(O)C(O)O Amb24531370 [1,0,0,0,1,0|0,0,2]=4 8327 B5R0.5 CC(O)C([O-])=O Amb17942960 [1,0,0,0,1,0|0,0,1]=3 8328 B5R0.5 CC(O)C([O-])=O Amb17943079 [1,0,0,0,1,0|0,0,1]=3 8329 B5R0.5 CC(O)C([O-])=O Amb20246816 [1,0,0,0,1,0|0,0,1]=3 8330 B5R0.5 CC(O)C([O-])=O Amb21936112 [1,0,0,0,1,0|0,0,1]=3 8331 B5R0.5 CC(O)C([O-])=O Amb22002445 [1,0,0,0,1,0|0,0,1]=3 8332 B5R0.5 CC(O)C([O-])=O Amb22054134 [1,0,0,0,1,0|0,0,1]=3 8333 B5R0.5 CC(O)C([O-])=O Amb22055552 [1,0,0,0,1,0|0,0,1]=3 8334 B5R0.5 CC(O)C([O-])=O Amb22167842 [1,0,0,0,1,0|0,0,1]=3 8335 B5R0.5 CC(O)C([O-])=O Amb22350448 [1,0,0,0,1,0|0,0,1]=3 8336 B5R0.5 CC(O)C([O-])=O Amb22730128 [1,0,0,0,1,0|0,0,1]=3 8337 B5R0.5 CC(O)C([O-])=O Amb22730326 [1,0,0,0,1,0|0,0,1]=3 8338 B5R0.5 CC(O)C([O-])=O Amb22731947 [1,0,0,0,1,0|0,0,1]=3 8339 B5R0.5 CC(O)C([O-])=O Amb22732237 [1,0,0,0,1,0|0,0,1]=3 8340 B5R0.5 CC(O)C([O-])=O Amb22732420 [1,0,0,0,1,0|0,0,1]=3 8341 B5R0.5 CC(O)C([O-])=O Amb22732487 [1,0,0,0,1,0|0,0,1]=3 8342 B5R0.5 CC(O)C([O-])=O Amb22732889 [1,0,0,0,1,0|0,0,1]=3 8343 B5R0.5 CC(O)C([O-])=O Amb22733874 [1,0,0,0,1,0|0,0,1]=3 8344 B5R0.5 CC(O)C([O-])=O Amb22733995 [1,0,0,0,1,0|0,0,1]=3 8345 B5R0.5 CC(O)P(O)=O Amb24333635 [1,0,0,0,1,0|1,0,0]=3 8346 B5R0.5 CC(O)[14C]([O-])=O Amb22362798 [1,0,0,0,1,0|0,0,1]=3 8347 B5R0.5 CC(P)C(N)=O Amb24715877 [1,0,0,0,1,0|2,0,0]=4 8348 B5R0.5 CC([15NH2])C(O)=O Amb22353286 [1,0,0,0,1,0|1,0,0]=3 8349 B5R0.5 CC([C@@H](O)C)O Amb10068424 [1,0,0,0,1,0|1,0,1]=4 8350 B5R0.5 CC([C@H](O)C)O Amb10068423 [1,0,0,0,1,0|1,0,1]=4 8351 B5R0.5 CC([O-])C([O-])=O Amb22045882 [1,0,0,0,1,0|0,0,2]=4 8352 B5R0.5 CN(C)C(=O)F Amb24660451 [1,0,0,0,1,0|2,0,0]=4 8353 B5R0.5 CN(C)C(C)=O Amb24323347 [1,0,0,0,1,0|2,0,0]=4 8354 B5R0.5 CN(C)C(N)=O Amb22739731 [1,0,0,0,1,0|2,0,0]=4 8355 B5R0.5 CN(C)C(O)=O Amb22348477 [1,0,0,0,1,0|1,0,0]=3 8356 B5R0.5 CN(C)C(O)=S Amb24477978 [1,0,0,0,1,0|1,1,0]=4 8357 B5R0.5 CN(C)[13C]([13CH3])=O Amb22367402 [1,0,0,0,1,0|2,0,0]=4 8358 B5R0.5 CN(O)C(N)=O Amb22055740 [1,0,0,0,1,0|2,0,0]=4 8359 B5R0.5 C[13C@@H]([15NH2])C(O)=O Amb22363357 [1,0,0,0,1,0|1,0,0]=3 8360 B5R0.5 C[13CH](N)C(O)=O Amb22367246 [1,0,0,0,1,0|1,0,0]=3 8361 B5R0.5 C[C@@H](Cl)C(=O)F Amb25811184 [1,0,0,0,1,0|2,0,0]=4 8362 B5R0.5 C[C@@H](F)C(O)=O Amb24376099 [1,0,0,0,1,0|1,0,0]=3 8363 B5R0.5 C[C@@H](N)C(C)=O Amb22748924 [1,0,0,0,1,0|2,0,0]=4 8364 B5R0.5 C[C@@H](N)C(C)=O Amb22748925 [1,0,0,0,1,0|2,0,0]=4 8365 B5R0.5 C[C@@H](N)C(N)=O Amb22746786 [1,0,0,0,1,0|2,0,0]=4 8366 B5R0.5 C[C@@H](N)P(O)=O Amb24640370 [1,0,0,0,1,0|2,0,0]=4 8367 B5R0.5 C[C@@H](O)C(C)=C Amb25834912 [1,0,0,0,1,0|2,0,0]=4 8368 B5R0.5 C[C@@H](O)C(C)=O Amb25120774 [1,0,0,0,1,0|1,0,0]=3 8369 B5R0.5 C[C@@H](O)C(N)=N Amb22587056 [1,0,0,0,1,0|2,0,0]=4 8370 B5R0.5 C[C@@H](O)C(O)=O Amb22799466 [1,0,0,0,1,0|0,0,0]=2 8371 B5R0.5 C[C@@H](O)C([O-])=O Amb22350432 [1,0,0,0,1,0|0,0,1]=3 8372 B5R0.5 C[C@@H](O)C([O-])=O Amb22801669 [1,0,0,0,1,0|0,0,1]=3 8373 B5R0.5 C[C@@H](O)P(O)=O Amb25129822 [1,0,0,0,1,0|1,0,0]=3 8374 B5R0.5 C[C@@H](S)C(N)=O Amb25065854 [1,0,0,0,1,0|1,1,0]=4 8375 B5R0.5 C[C@@H]([15NH2])C(O)=O Amb22800337 [1,0,0,0,1,0|1,0,0]=3 8376 B5R0.5 C[C@H](Br)C(=O)Br Amb25780155 [1,0,0,0,1,0|2,0,0]=4 8377 B5R0.5 C[C@H](Br)C(=O)Cl Amb24449131 [1,0,0,0,1,0|2,0,0]=4 8378 B5R0.5 C[C@H](C(C)C)O Amb13952942 [1,0,0,0,1,0|1,0,1]=4 8379 B5R0.5 C[C@H](Cl)C(=O)Cl Amb24373163 [1,0,0,0,1,0|2,0,0]=4 8380 B5R0.5 C[C@H](Cl)C(O)=O Amb17776586 [1,0,0,0,1,0|1,0,0]=3 8381 B5R0.5 C[C@H](I)C(O)=O Amb25724908 [1,0,0,0,1,0|1,0,0]=3 8382 B5R0.5 C[C@H](N)C(=O)Cl Amb24333765 [1,0,0,0,1,0|2,0,0]=4 8383 B5R0.5 C[C@H](N)C(N)=O Amb20670443 [1,0,0,0,1,0|2,0,0]=4 8384 B5R0.5 C[C@H](N)P(O)=O Amb25101926 [1,0,0,0,1,0|2,0,0]=4 8385 B5R0.5 C[C@H](O)C(C)=C Amb25294556 [1,0,0,0,1,0|2,0,0]=4 8386 B5R0.5 C[C@H](O)C(C)=O Amb24625154 [1,0,0,0,1,0|1,0,0]=3 8387 B5R0.5 C[C@H](O)C(N)=N Amb22587541 [1,0,0,0,1,0|2,0,0]=4 8388 B5R0.5 C[C@H](O)C([O-])=O Amb17772234 [1,0,0,0,1,0|0,0,1]=3 8389 B5R0.5 C[C@H](O)C([O-])=O Amb22338062 [1,0,0,0,1,0|0,0,1]=3 8390 B5R0.5 C[C@H](O)C([O-])=O Amb22369005 [1,0,0,0,1,0|0,0,1]=3 8391 B5R0.5 C[C@H](O)[13C]([O-])=O Amb22353664 [1,0,0,0,1,0|0,0,1]=3 8392 B5R0.5 C[C@H](S)C(O)=O Amb25147510 [1,0,0,0,1,0|0,1,0]=3 8393 B5R0.5 C[C@H]([15NH2])C(O)=O Amb22351686 [1,0,0,0,1,0|1,0,0]=3 8394 B5R0.5 FC(C(=O)O)F Amb1953492 [1,0,0,0,1,0|2,0,0]=4 8395 B5R0.5 IC(C(=O)O)I Amb17612865 [1,0,0,0,1,0|2,0,0]=4 8396 B5R0.5 NC(=O)C(N)C Amb1156937 [1,0,0,0,1,0|2,0,0]=4 8397 B5R0.5 NC(=O)C(O)O Amb24680574 [1,0,0,0,1,0|2,0,0]=4 8398 B5R0.5 NC(=O)[C@@H](N)C Amb2371522 [1,0,0,0,1,0|2,0,0]=4 8399 B5R0.5 NC(=O)[C@H](N)C Amb2371905 [1,0,0,0,1,0|2,0,0]=4 8400 B5R0.5 NC(Br)C(O)=O Amb25724348 [1,0,0,0,1,0|2,0,0]=4 8401 B5R0.5 NC(O)C(N)=O Amb24478450 [1,0,0,0,1,0|2,0,0]=4 8402 B5R0.5 NC(O)C(O)=O Amb24663706 [1,0,0,0,1,0|1,0,0]=3 8403 B5R0.5 N[C@@H](O)C(N)=O Amb25338621 [1,0,0,0,1,0|2,0,0]=4 8404 B5R0.5 N[C@H](S)C(O)=O Amb25289119 [1,0,0,0,1,0|1,1,0]=4 8405 B5R0.5 OB(C(C)C)O Amb2447044 [1,0,0,0,1,0|1,0,1]=4 8406 B5R0.5 OC(=O)C(=O)O Amb10608980 [1,0,0,0,1,0|1,0,1]=4 8407 B5R0.5 OC(=O)C(=O)O Amb19134307 [1,0,0,0,1,0|1,0,1]=4 8408 B5R0.5 OC(=O)C(Br)F Amb10841090 [1,0,0,0,1,0|2,0,0]=4 8409 B5R0.5 OC(=O)C(Cl)Br Amb22002468 [1,0,0,0,1,0|2,0,0]=4 8410 B5R0.5 OC(=O)C(Cl)Cl Amb22338543 [1,0,0,0,1,0|2,0,0]=4 8411 B5R0.5 OC(=O)C(Cl)F Amb10838714 [1,0,0,0,1,0|2,0,0]=4 8412 B5R0.5 OC(=O)C(F)S Amb25272480 [1,0,0,0,1,0|1,1,0]=4 8413 B5R0.5 OC(=O)C(I)Br Amb17610018 [1,0,0,0,1,0|2,0,0]=4 8414 B5R0.5 OC(=O)C(I)Cl Amb17610937 [1,0,0,0,1,0|2,0,0]=4 8415 B5R0.5 OC(=O)C(I)F Amb10838458 [1,0,0,0,1,0|2,0,0]=4 8416 B5R0.5 OC(=O)C(O)=O Amb19374136 [1,0,0,0,1,0|1,0,1]=4 8417 B5R0.5 OC(=O)C(O)=O Amb22002537 [1,0,0,0,1,0|1,0,1]=4 8418 B5R0.5 OC(=O)C(O)=O Amb22231343 [1,0,0,0,1,0|1,0,1]=4 8419 B5R0.5 OC(=O)C(O)=O Amb22352057 [1,0,0,0,1,0|1,0,1]=4 8420 B5R0.5 OC(=O)C(O)=O Amb22353291 [1,0,0,0,1,0|1,0,1]=4 8421 B5R0.5 OC(=O)C(O)=O Amb22360650 [1,0,0,0,1,0|1,0,1]=4 8422 B5R0.5 OC(=O)C(O)=O Amb22360667 [1,0,0,0,1,0|1,0,1]=4 8423 B5R0.5 OC(=O)C(O)=O Amb22363275 [1,0,0,0,1,0|1,0,1]=4 8424 B5R0.5 OC(=O)C(O)=O Amb22363302 [1,0,0,0,1,0|1,0,1]=4 8425 B5R0.5 OC(=O)C(O)=O Amb22394874 [1,0,0,0,1,0|1,0,1]=4 8426 B5R0.5 OC(=O)C(O)=O Amb22436461 [1,0,0,0,1,0|1,0,1]=4 8427 B5R0.5 OC(=O)C(O)=O Amb22731645 [1,0,0,0,1,0|1,0,1]=4 8428 B5R0.5 OC(=O)C(O)=O Amb22731888 [1,0,0,0,1,0|1,0,1]=4 8429 B5R0.5 OC(=O)C(O)=O Amb22897045 [1,0,0,0,1,0|1,0,1]=4 8430 B5R0.5 OC(=O)C(O)=O Amb23412252 [1,0,0,0,1,0|1,0,1]=4 8431 B5R0.5 OC(=O)[13CH](Cl)Cl Amb22336527 [1,0,0,0,1,0|2,0,0]=4 8432 B5R0.5 OC(=O)[C@@H](F)Br Amb25147695 [1,0,0,0,1,0|2,0,0]=4 8433 B5R0.5 OC(=O)[C@H](Cl)Br Amb25857711 [1,0,0,0,1,0|2,0,0]=4 8434 B5R0.5 OC(=O)[C@H](F)I Amb24561039 [1,0,0,0,1,0|2,0,0]=4 8435 B5R0.5 OC(Cl)C(=O)Cl Amb24470096 [1,0,0,0,1,0|2,0,0]=4 8436 B5R0.5 O[13C](=O)C(Br)Br Amb22367565 [1,0,0,0,1,0|2,0,0]=4 8437 B5R0.5 O[13C](=O)C(Cl)Br Amb22367326 [1,0,0,0,1,0|2,0,0]=4 8438 B5R0.5 O[13C](=O)[13C](O)=O Amb22369747 [1,0,0,0,1,0|1,0,1]=4 8439 B5R0.5 O[14C](=O)[14C](O)=O Amb22349945 [1,0,0,0,1,0|1,0,1]=4 8440 B5R0.5 [12CH3][12C@H](N)[12C](O)=O Amb22367004 [1,0,0,0,1,0|1,0,0]=3 8441 B5R0.5 [13CH3]C(N)C(O)=O Amb22351250 [1,0,0,0,1,0|1,0,0]=3 8442 B5R0.5 [13CH3][13CH](N)C(O)=O Amb22338584 [1,0,0,0,1,0|1,0,0]=3 8443 B5R0.5 [13CH3][13CH](N)[13C](O)=O Amb22353501 [1,0,0,0,1,0|1,0,0]=3 8444 B5R0.5 [13CH3][C@@H](O)C([O-])=O Amb22350379 [1,0,0,0,1,0|0,0,1]=3 8445 B9R0.1 CC(C#N)SCCC(O)=O Amb18800092 [0,0,0,0,0,2|1,0,1]=4 8446 B9R0.1 CC(C=C)NCCC(O)=O Amb24662882 [0,0,0,0,0,2|1,0,1]=4 8447 B9R0.1 CC(C=C)ONCC(O)=O Amb24658665 [0,0,0,0,0,2|1,0,1]=4 8448 B9R0.1 CC(C=C)SCCC(O)=O Amb18182545 [0,0,0,0,0,2|1,0,1]=4 8449 B9R0.1 CC(C=C)\C=C\CC(O)=O Amb18643542 [0,0,0,0,0,2|1,0,1]=4 8450 B9R0.1 CC(CBr)=NOCC(O)=O Amb24747167 [0,0,0,0,0,2|1,0,1]=4 8451 B9R0.1 CC(CC)=NNCC(O)=O Amb25162373 [0,0,0,0,0,2|1,0,1]=4 8452 B9R0.1 CC(CC)=NOCC(O)=O Amb25266480 [0,0,0,0,0,2|1,0,1]=4 8453 B9R0.1 CC(CCCC(O)=O)C#N Amb18643710 [0,0,0,0,0,2|1,0,1]=4 8454 B9R0.1 CC(CCCC(O)=O)C=C Amb24716210 [0,0,0,0,0,2|1,0,1]=4 8455 B9R0.1 CC(CCCC(O)=O)CO Amb25068017 [0,0,0,0,0,2|0,0,0]=2 8456 B9R0.1 CC(CCl)CCCC(O)=O Amb18646189 [0,0,0,0,0,2|1,0,0]=3 8457 B9R0.1 CC(CCl)CCOC(C)=O Amb25757561 [0,0,0,0,0,2|2,0,0]=4 8458 B9R0.1 CC(CN)CNCC(O)=O Amb25773527 [0,0,0,0,0,2|1,0,0]=3 8459 B9R0.1 CC(CN)NCCC(N)=O Amb24602322 [0,0,0,0,0,2|2,0,0]=4 8460 B9R0.1 CC(CN)NCCC(O)=O Amb24520910 [0,0,0,0,0,2|1,0,0]=3 8461 B9R0.1 CC(CN)OCCC(C)=O Amb18630514 [0,0,0,0,0,2|2,0,0]=4 8462 B9R0.1 CC(CN)OCCC(O)=O Amb18629690 [0,0,0,0,0,2|1,0,0]=3 8463 B9R0.1 CC(CNCC(N)=O)CN Amb25185175 [0,0,0,0,0,2|2,0,0]=4 8464 B9R0.1 CC(CNCC(O)=O)C#N Amb25027854 [0,0,0,0,0,2|1,0,1]=4 8465 B9R0.1 CC(CO)CCNC(N)=N Amb25341289 [0,0,0,0,0,2|2,0,0]=4 8466 B9R0.1 CC(CO)CNCC(=C)Br Amb24637572 [0,0,0,0,0,2|2,0,0]=4 8467 B9R0.1 CC(CO)CNCC(=C)Cl Amb24466435 [0,0,0,0,0,2|2,0,0]=4 8468 B9R0.1 CC(CO)CNCC(C)=C Amb24529752 [0,0,0,0,0,2|2,0,0]=4 8469 B9R0.1 CC(CO)COCC(C)=C Amb24422310 [0,0,0,0,0,2|2,0,0]=4 8470 B9R0.1 CC(CO)CSCC(C)=C Amb25794414 [0,0,0,0,0,2|2,0,0]=4 8471 B9R0.1 CC(CO)CSCC(C)=O Amb24702606 [0,0,0,0,0,2|1,0,0]=3 8472 B9R0.1 CC(CO)C\C=C\C(C)=C Amb24414875 [0,0,0,0,0,2|2,0,0]=4 8473 B9R0.1 CC(CO)NCCC(O)=O Amb17719769 [0,0,0,0,0,2|0,0,0]=2 8474 B9R0.1 CC(CO)OCC=C(C)C Amb25356908 [0,0,0,0,0,2|2,0,0]=4 8475 B9R0.1 CC(CO)SCC=C(C)C Amb25146977 [0,0,0,0,0,2|2,0,0]=4 8476 B9R0.1 CC(CO)SCCC(C)=O Amb24393859 [0,0,0,0,0,2|1,0,0]=3 8477 B9R0.1 CC(CO)SCCC(N)=O Amb25146975 [0,0,0,0,0,2|1,0,0]=3 8478 B9R0.1 CC(C\C=C\C(O)=O)C#N Amb24670837 [0,0,0,0,0,2|1,0,1]=4 8479 B9R0.1 CC(C\C=C\C(O)=O)C=C Amb24598302 [0,0,0,0,0,2|1,0,1]=4 8480 B9R0.1 CC(O)CCCC(C)CO Amb24420267 [0,0,0,0,0,2|1,0,1]=4 8481 B9R0.1 CC(O)CCNC(C)CO Amb25147813 [0,0,0,0,0,2|1,0,1]=4 8482 B9R0.1 CC(O)CCSC(C)CO Amb24437913 [0,0,0,0,0,2|1,0,1]=4 8483 B9R0.1 CC(O)CNCC(C)CO Amb25742842 [0,0,0,0,0,2|1,0,1]=4 8484 B9R0.1 CCC(C)C#CCC(C)=O Amb25047884 [0,0,0,0,0,2|2,0,0]=4 8485 B9R0.1 CCC(C)CC#CC(O)=O Amb24661749 [0,0,0,0,0,2|1,0,0]=3 8486 B9R0.1 CCC(C)CCCC(C)=O Amb24424926 [0,0,0,0,0,2|2,0,0]=4 8487 B9R0.1 CCC(C)CCCC(N)=O Amb24350177 [0,0,0,0,0,2|2,0,0]=4 8488 B9R0.1 CCC(C)CCCC(O)=O Amb18124682 [0,0,0,0,0,2|1,0,0]=3 8489 B9R0.1 CCC(C)CCOC(C)=O Amb24325171 [0,0,0,0,0,2|2,0,0]=4 8490 B9R0.1 CCC(C)CCOC(N)=O Amb24478211 [0,0,0,0,0,2|2,0,0]=4 8491 B9R0.1 CCC(C)CONC(C)=O Amb25097564 [0,0,0,0,0,2|2,0,0]=4 8492 B9R0.1 CCC(C)CSCC(N)=O Amb25218767 [0,0,0,0,0,2|2,0,0]=4 8493 B9R0.1 CCC(C)CSCC(O)=O Amb18800668 [0,0,0,0,0,2|1,0,0]=3 8494 B9R0.1 CCC(C)NCCC(N)=O Amb19960042 [0,0,0,0,0,2|2,0,0]=4 8495 B9R0.1 CCC(C)OCCC(C)=O Amb22229878 [0,0,0,0,0,2|2,0,0]=4 8496 B9R0.1 CCC(C)SCCC(N)=O Amb18798042 [0,0,0,0,0,2|2,0,0]=4 8497 B9R0.1 CCC(C)S\C=C\C(O)=O Amb24431541 [0,0,0,0,0,2|1,0,1]=4 8498 B9R0.1 CCC(C)\C=C/CC(C)=O Amb24708353 [0,0,0,0,0,2|2,0,0]=4 8499 B9R0.1 CCC(C)\C=C\CC(C)=O Amb24518460 [0,0,0,0,0,2|2,0,0]=4 8500 B9R0.1 CCC(N)COCC(O)=O Amb18630610 [0,0,0,0,0,2|2,0,0]=4 8501 B9R0.1 CCC(O)CCCC(O)=O Amb18644263 [0,0,0,0,0,2|2,0,0]=4 8502 B9R0.1 CCC(O)COCC(O)=O Amb25805810 [0,0,0,0,0,2|2,0,0]=4 8503 B9R0.1 CCC(O)CSCC(O)=O Amb18792573 [0,0,0,0,0,2|2,0,0]=4 8504 B9R0.1 CCN(C)C\C=C\C(O)=O Amb19020698 [0,0,0,0,0,2|2,0,0]=4 8505 B9R0.1 CC[C@H](C)CCCC(C)=O Amb25128211 [0,0,0,0,0,2|2,0,0]=4 8506 B9R0.1 COC(C)CCCC(O)=O Amb25728362 [0,0,0,0,0,2|2,0,0]=4 8507 B9R0.1 COC(C)CNCC(O)=O Amb25695493 [0,0,0,0,0,2|2,0,0]=4 8508 B9R0.1 CSC(C)CCCC(O)=O Amb25265803 [0,0,0,0,0,2|2,0,0]=4 8509 B9R0.1 CSC(C)CNCC(O)=O Amb25137618 [0,0,0,0,0,2|2,0,0]=4 8510 B9R0.1 CSC(C)\C=C\CC(O)=O Amb18645413 [0,0,0,0,0,2|2,0,0]=4 8511 B9R0.1 C[C@@H](CCCC(O)=O)C=C Amb24447465 [0,0,0,0,0,2|1,0,1]=4 8512 B9R0.1 C[C@@H](CO)CCOC(C)=O Amb24464645 [0,0,0,0,0,2|1,0,0]=3 8513 B9R0.1 C[C@@H](CO)C\C=C\C(C)=C Amb25344958 [0,0,0,0,0,2|2,0,0]=4 8514 B9R0.1 C[C@@H](CO)NCC=C(C)C Amb25288762 [0,0,0,0,0,2|2,0,0]=4 8515 B9R0.1 C[C@H](CCCC(O)=O)C=C Amb25367325 [0,0,0,0,0,2|1,0,1]=4 8516 B9R0.1 C[C@H](CO)CCCC(C)=O Amb25335279 [0,0,0,0,0,2|1,0,0]=3 8517 B9R0.1 C[C@H](CO)CCNC(C)=O Amb24502371 [0,0,0,0,0,2|1,0,0]=3 8518 B9R0.1 C[C@H](CO)C\C=C\C(C)=C Amb25043827 [0,0,0,0,0,2|2,0,0]=4 8519 B9R0.1 C[C@H](O)CNCC(C)CO Amb25303273 [0,0,0,0,0,2|1,0,1]=4 8520 B9R0.1 C[C@H](O)CSCC(C)CO Amb25683518 [0,0,0,0,0,2|1,0,1]=4 8521 B9R0.1 C\C(\CBr)=N/OCC(O)=O Amb25350489 [0,0,0,0,0,2|1,0,1]=4 8522 B9R0.1 C\C(\CO)=C/C=C/C(O)=O Amb24410692 [0,0,0,0,0,2|0,0,2]=4 8523 B9R0.1 C\C(\CO)=C\CCC(C)=O Amb24545611 [0,0,0,0,0,2|1,0,1]=4 8524 B9R0.1 NC(=O)CNCC(O)CO Amb25096977 [0,0,0,0,0,2|2,0,0]=4 8525 B9R0.1 NC(CO)COCC(N)=O Amb24555209 [0,0,0,0,0,2|2,0,0]=4 8526 B9R0.1 NC(CS)CCCC(O)=O Amb25706315 [0,0,0,0,0,2|1,1,0]=4 8527 B9R0.1 NCC(N)CCCC(O)=O Amb24375177 [0,0,0,0,0,2|2,0,0]=4 8528 B9R0.1 NCC(N)COCC(O)=O Amb24677956 [0,0,0,0,0,2|2,0,0]=4 8529 B9R0.1 NC[C@@H](N)CCCC(O)=O Amb25147297 [0,0,0,0,0,2|2,0,0]=4 8530 B9R0.1 N[C@@H](CO)COCC(N)=O Amb24537982 [0,0,0,0,0,2|2,0,0]=4 8531 B9R0.1 N[C@@H](CS)CCCC(O)=O Amb25288626 [0,0,0,0,0,2|1,1,0]=4 8532 B9R0.1 N[C@H](CS)CCCC(O)=O Amb24482180 [0,0,0,0,0,2|1,1,0]=4 8533 B9R0.1 OC(=O)CCCC(Cl)CCl Amb18649051 [0,0,0,0,0,2|2,0,0]=4 8534 B9R0.1 OC(=O)CCNC(=O)CO Amb24478846 [0,0,0,0,0,2|1,0,1]=4 8535 B9R0.1 OC(=O)COCC(S)CS Amb18129098 [0,0,0,0,0,2|1,1,0]=4 8536 B9R0.1 OCC(O)C=NCC(O)=O Amb25113464 [0,0,0,0,0,2|1,0,0]=3 8537 B9R0.1 OCC(O)CNCC(O)=O Amb24360971 [0,0,0,0,0,2|1,0,0]=3 8538 B9R0.1 OCC(O)COCC(O)=O Amb24534716 [0,0,0,0,0,2|1,0,0]=3