0 B9R0.55 C=C(Cl)CN\C=C\C(O)=O Amb25308536 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.55 CC(=C)CN\C=C\C(O)=O Amb25804662 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.55 CC(=C)CO\C=C\C(O)=O Amb18643826 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.55 CC(=C)\C=C\CCC(O)=O Amb24565556 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.55 CC(=O)C=C\C=C\C(C)=O Amb24693351 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.55 CC(=O)C=C\C=C\N(C)C Amb25213905 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.55 CC(=O)C\C=C\CC(C)=O Amb25227383 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.55 CC(=O)N\C=C\CC(N)=O Amb24584165 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.55 CC(=O)OC\C=C\C(C)=O Amb25205418 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.55 CC(=O)OC\C=C\C(O)=O Amb24454652 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.55 CC(=O)O\C=C\CC(O)=O Amb25844728 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.55 CC(=O)O\N=C/CC(O)=O Amb24392947 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.55 CC(=O)\C=C/C=C/N(C)C Amb25298446 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.55 CC(=O)\C=C\C=C/C(O)=O Amb18643490 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.55 CC(=O)\C=C\C=C\C(O)=O Amb24395663 [0,0,0,0,0,0|1,0,0]=1 16 B9R0.55 CC(=O)\C=C\C=C\N(C)C Amb24647899 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.55 CC(C)=CC\C=C\C(C)=O Amb25065926 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.55 CC(C)=C\C=C/C=C(C)C Amb22641704 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.55 CC(C)=C\C=C\CC(C)=O Amb24646499 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.55 CC(C)=C\C=C\CC(N)=O Amb25733264 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.55 CC(C)\C=C\C=C\C(N)=O Amb25202249 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.55 CC(C)\C=C\C=C\C(O)=O Amb25367977 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.55 CC(O)C#C\C=C/C(O)=O Amb24745668 [0,0,0,0,0,0|1,0,3]=4 24 B9R0.55 CC(O)C=C\C=C\C(C)O Amb25045572 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.55 CC(O)CC\C=C\C(O)=O Amb24680771 [0,0,0,0,0,0|1,0,3]=4 26 B9R0.55 CC(O)CN\C=C\C(O)=O Amb24479663 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.55 CC(O)\C=C\C=CC(C)=O Amb24512771 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.55 CC(O)\C=C\C=C\C(C)=O Amb25146605 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.55 CC(O)\C=C\CCC(O)=O Amb24453133 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.55 CN(C)\N=C\C=CC(O)=O Amb25843869 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.55 C\C(\O)=C/C=C\C=C(/C)\O Amb24428309 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.55 NC(=O)C=NN=CC(N)=O Amb25376938 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.55 NC(=O)CC\C=C\C(N)=O Amb25111607 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.55 NC(=O)CN\C=C\C(O)=O Amb25342855 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.55 NC(=O)C\C=C\CC(N)=O Amb25856677 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.55 NC(=O)N\C=C\NC(N)=O Amb25174416 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.55 NC(=O)\C=C/SCC(O)=O Amb25061265 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.55 NC(=O)\C=C\C=C\C(N)=O Amb24736439 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [0,0,0,0,0,0|1,0,2]=3 40 B9R0.55 NC(=O)\C=N\N=C\C(N)=O Amb25703514 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.55 OC(=O)C#CC#CC(O)=O Amb24426898 [0,0,0,0,0,0|0,0,4]=4 42 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [0,0,0,0,0,0|2,0,1]=3 43 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [0,0,0,0,0,0|0,0,2]=2 44 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [0,0,0,0,0,0|0,0,4]=4 45 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [0,0,0,0,0,0|0,0,4]=4 46 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [0,0,0,0,0,0|0,0,4]=4 47 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [0,0,0,0,0,0|0,0,4]=4 48 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [0,0,0,0,0,0|0,0,4]=4 49 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [0,0,0,0,0,0|0,0,4]=4 50 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [0,0,0,0,0,0|0,0,4]=4 51 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [0,0,0,0,0,0|0,0,4]=4 52 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [0,0,0,0,0,0|0,0,4]=4 53 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [0,0,0,0,0,0|0,0,4]=4 54 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [0,0,0,0,0,0|0,0,2]=2 55 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [0,0,0,0,0,0|1,0,3]=4 56 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [0,0,0,0,0,0|1,0,3]=4 58 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [0,0,0,0,0,0|1,0,3]=4 59 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [0,0,0,0,0,0|0,0,2]=2 60 B9R0.55 OC(=O)\C=C\C#CC(O)=O Amb25324015 [0,0,0,0,0,0|0,0,2]=2 61 B9R0.55 OC(=O)\C=C\COS(=O)=O Amb25363399 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [0,0,0,0,0,0|1,0,1]=2 63 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [0,0,0,0,0,0|0,0,4]=4 64 B9R0.55 [O-][N+](=O)\C=C\C=C/[N+](=O)[O-] Amb1885092 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.7 C=CCC\C=C\C(O)=O Amb25756053 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.7 C=CCO\C=C\C(O)=O Amb24471908 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.7 C=CC\C=C\CC(O)=O Amb18642408 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.7 C=C\C=C\C=C\C(O)=O Amb25785031 [1,0,0,0,0,0|1,0,0]=2 69 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.7 CC(=O)OC\C=C/C=O Amb25119256 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.7 CC(=O)OC\C=C\C=O Amb18642582 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.7 CC(=O)\C=C/C=C\C=O Amb25239361 [1,0,0,0,0,0|1,0,0]=2 73 B8R0.7 CC(=O)\C=C/CCC=O Amb24557160 [1,0,0,0,0,0|1,0,2]=4 74 B8R0.7 CC(=O)\C=C\C=C/C=C Amb25723853 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.7 CC(=O)\C=C\C=CC=C Amb24634570 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.7 CC(=O)\C=C\C=CCCl Amb24696571 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.7 CC(=O)\C=C\C=C\C=C Amb25707424 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.7 CC(=O)\C=C\C=C\C=O Amb18642168 [1,0,0,0,0,0|1,0,0]=2 79 B8R0.7 CC(=O)\C=C\CCC=O Amb18642401 [1,0,0,0,0,0|1,0,2]=4 80 B8R0.7 CC(C)=CC\C=C\C=O Amb18642245 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.7 CC(C)\C=C\C=C\C=O Amb18642247 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.7 CC\C=C\C=CC(C)=O Amb25258167 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.7 CC\C=C\C=CC(O)=O Amb24552622 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.7 CC\C=C\C=C\C(C)=O Amb24667251 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.7 CC\C=C\C=C\C(O)=O Amb18642407 [1,0,0,0,0,0|1,0,1]=3 86 B8R0.7 CN(C)\C=C\C=CC=O Amb24617289 [1,0,0,0,0,0|3,0,0]=4 87 B8R0.7 CN\C=C\C=CC(N)=O Amb24654487 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.7 CO\C=C/C=C/C(C)=O Amb24606821 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.7 CO\C=C\C=C/C(O)=O Amb25856553 [1,0,0,0,0,0|2,0,0]=3 90 B8R0.7 CO\C=C\C=C\C(C)=O Amb25714252 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.7 C\C=C\C=C/C=C(C)C Amb22641676 [1,0,0,0,0,0|3,0,0]=4 92 B8R0.7 C\C=C\C=C/CC(C)=O Amb25837209 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.7 C\C=C\C\C=C\C(O)=O Amb24688696 [1,0,0,0,0,0|1,0,1]=3 94 B8R0.7 N#C\C=C/C=C\C(O)=O Amb18642088 [1,0,0,0,0,0|1,0,1]=3 95 B8R0.7 NC(=O)\C=C/C=C/CO Amb25820847 [1,0,0,0,0,0|1,0,1]=3 96 B8R0.7 NC\C=C\C=CC(O)=O Amb24682694 [1,0,0,0,0,0|1,0,1]=3 97 B8R0.7 NC\C=C\C=C\C(O)=O Amb25146005 [1,0,0,0,0,0|1,0,1]=3 98 B8R0.7 OC(=O)CC\C=C\C=C Amb10605294 [1,0,0,0,0,0|1,0,2]=4 99 B8R0.7 OC(=O)CN\C=C\C=O Amb25223016 [1,0,0,0,0,0|1,0,1]=3 100 B8R0.7 OC(=O)CS\C=C\C=O Amb25230965 [1,0,0,0,0,0|1,0,1]=3 101 B8R0.7 OC(=O)C\C=C/CC=O Amb25050861 [1,0,0,0,0,0|0,0,2]=3 102 B8R0.7 OC(=O)\C=C\C=CCBr Amb25746310 [1,0,0,0,0,0|1,0,1]=3 103 B8R0.7 OC(=O)\C=C\C=C\C=O Amb18642364 [1,0,0,0,0,0|0,0,0]=1 104 B8R0.7 OCC=C\C=C\B(O)O Amb24565864 [1,0,0,0,0,0|1,0,2]=4 105 B8R0.7 OCCC\C=C\C(O)=O Amb18642790 [1,0,0,0,0,0|0,0,3]=4 106 B8R0.7 OC\C=C\C#CC(O)=O Amb25175004 [1,0,0,0,0,0|0,0,3]=4 107 B8R0.7 OC\C=C\C=C\C(O)=O Amb18642572 [1,0,0,0,0,0|0,0,1]=2 108 B8R0.7 OC\C=C\CCC(O)=O Amb24639124 [1,0,0,0,0,0|0,0,3]=4 109 B10R0.15 CC(C)(C)\C=C\C=CC(O)=O Amb24759672 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.15 CC(C)(C)\C=C\C=C\C(O)=O Amb18125782 [0,1,0,0,0,0|2,0,1]=4 111 B10R0.15 C[Si](C)(C)\C=C\C=CC(O)=O Amb25200982 [0,1,0,0,0,0|2,1,0]=4 112 B10R0.55 C#CC(=O)NC\C=C\C(O)=O Amb25150699 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.55 CC(=O)NC\C=C\C(=O)OC Amb25384760 [0,1,0,0,0,0|2,0,1]=4 114 B10R0.55 CC(=O)N\C=C\CC(=O)OC Amb25207177 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.55 CC(=O)\C=C\C=C/C(=O)OC Amb24765300 [0,1,0,0,0,0|1,0,0]=2 116 B10R0.55 CC(=O)\C=C\C=C\C(=O)OC Amb24766505 [0,1,0,0,0,0|1,0,0]=2 117 B10R0.55 CC[C@H](C)\C=C\C=C\C(O)=O Amb25386304 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.55 CNC(=O)CN\C=C\C(O)=O Amb25715609 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.55 CNC(=O)CS\C=C\C(O)=O Amb25382402 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.55 CNC(=O)NC\C=C\C(O)=O Amb25209406 [0,1,0,0,0,0|2,0,1]=4 121 B10R0.55 CNC(=O)\C=C\C=C\C(O)=O Amb24443060 [0,1,0,0,0,0|1,0,0]=2 122 B10R0.55 COC(=O)C/C=C/OC(C)=O Amb17778579 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.55 COC(=O)CN\C=C\C(O)=O Amb25381551 [0,1,0,0,0,0|1,0,1]=3 124 B10R0.55 COC(=O)\C=C/C=C/C(N)=O Amb25386371 [0,1,0,0,0,0|1,0,0]=2 125 B10R0.55 COC(=O)\C=C\C=CC(O)=O Amb25384110 [0,1,0,0,0,0|0,0,0]=1 126 B10R0.55 COC(=O)\C=C\C=C\C(=O)O Amb17593891 [0,1,0,0,0,0|0,0,0]=1 127 B10R0.55 COC(=O)\C=C\NCC(N)=O Amb25381544 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.55 COC(C)\C=C\C=CC(O)=O Amb24762987 [0,1,0,0,0,0|1,0,1]=3 129 B10R0.96 CC(=CC(O)=O)SCC(O)=O Amb25384901 [0,1,0,0,0,0|1,0,1]=3 130 B10R0.96 CC(=O)CC(=O)\C=C\C(O)=O Amb25384109 [0,1,0,0,0,0|1,0,1]=3 131 B10R0.96 CC(=O)OC(C)\C=C\C(O)=O Amb25386024 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.96 CC(=O)O[C@@H](C)\C=C\C(O)=O Amb25384174 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.96 CC(=O)SC(C)\C=C\C(O)=O Amb25385242 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.96 CC(=O)\C=C\C(=O)OC(C)=O Amb24766732 [0,1,0,0,0,0|3,0,0]=4 135 B10R0.96 CC(CC(O)=O)=NCC(O)=O Amb25385177 [0,1,0,0,0,0|1,0,2]=4 136 B10R0.96 CC(O)=CC(=O)CCC(O)=O Amb25386411 [0,1,0,0,0,0|1,0,2]=4 137 B10R0.96 CC(O)=CC(C)=NCC(O)=O Amb24533092 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.96 CN(CC(N)=O)\C=C\C(O)=O Amb24755182 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.96 C\C(=C/C(C)=O)\C=C\C(C)=O Amb25128224 [0,1,0,0,0,0|2,0,0]=3 140 B10R0.96 C\C(=C\C(C)=O)\C=C\C(C)=O Amb24486221 [0,1,0,0,0,0|2,0,0]=3 141 B10R0.96 C\C(=C\C(O)=O)\C=CC(O)=O Amb25273936 [0,1,0,0,0,0|0,0,0]=1 142 B10R0.96 C\C(=C\C(O)=O)\C=C\C(N)=O Amb25362081 [0,1,0,0,0,0|1,0,0]=2 143 B10R0.96 NC(=O)NC(=O)\C=C\C(O)=O Amb24687667 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.96 NC(=S)NC(=O)\C=C\C(O)=O Amb24511931 [0,1,0,0,0,0|2,1,0]=4 145 B10R0.96 OC(=O)CCC(=O)CC(O)=O Amb17689277 [0,1,0,0,0,0|0,0,3]=4 146 B10R0.96 OC(=O)CNC(=O)CC(O)=O Amb18800491 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.96 OC(=O)\C=C(\Cl)/C=C/C(O)=O Amb18127800 [0,1,0,0,0,0|0,0,0]=1 148 B10R0.98 CC(=C\C=C\C(C)=C)C(O)=O Amb24519524 [0,1,0,0,0,0|2,0,0]=3 149 B10R0.98 CC(=NOCC(O)=O)C(O)=O Amb25384896 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.98 CC(=O)CC\C=C(/C)\C(O)=O Amb18125973 [0,1,0,0,0,0|1,0,2]=4 151 B10R0.98 CC(=O)OC\C=C(/C)\C(O)=O Amb25386222 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.98 CC(=O)\C(\C)=C\C=CC(O)=O Amb24740742 [0,1,0,0,0,0|1,0,0]=2 153 B10R0.98 CC(=O)\C=C/C=C(/O)\C(O)=O Amb25151531 [0,1,0,0,0,0|1,0,0]=2 154 B10R0.98 CC(=O)\C=C\C=C(/C)\C(O)=O Amb25334982 [0,1,0,0,0,0|1,0,0]=2 155 B10R0.98 CC(=O)\C=C\C=C(C)C(O)=O Amb24687305 [0,1,0,0,0,0|1,0,0]=2 156 B10R0.98 CC(C)=C(C)C=CCC(O)=O Amb24557864 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.98 CC(C)=C(C)\C=C\CC(O)=O Amb18644650 [0,1,0,0,0,0|2,0,1]=4 158 B10R0.98 CC(C)=CC\C=C(/C)\C(O)=O Amb24487858 [0,1,0,0,0,0|2,0,1]=4 159 B10R0.98 CC(S\C=C\C(O)=O)C(O)=O Amb18647961 [0,1,0,0,0,0|1,0,1]=3 160 B10R0.98 C\C(=C/C=CC(O)=O)\C(C)C Amb25067248 [0,1,0,0,0,0|2,0,1]=4 161 B10R0.98 C\C(=C/CCC(O)=O)\C(O)=O Amb25385138 [0,1,0,0,0,0|0,0,2]=3 162 B10R0.98 C\C(=C\C=C/C(O)=O)\C(O)=O Amb24487944 [0,1,0,0,0,0|0,0,0]=1 163 B10R0.98 C\C(=C\C=CC(O)=O)\C(O)=O Amb25173182 [0,1,0,0,0,0|0,0,0]=1 164 B10R0.98 C\C(\N)=C\C=C/C(C)C(O)=O Amb25138769 [0,1,0,0,0,0|2,0,1]=4 165 B10R0.98 NC(=O)C(=O)\C=C\CC(O)=O Amb25384982 [0,1,0,0,0,0|1,0,1]=3 166 B10R0.98 NC(=O)\C(\O)=C\C=CC(O)=O Amb24602428 [0,1,0,0,0,0|1,0,0]=2 167 B10R0.98 NC(C\C=C\C(O)=O)C(O)=O Amb18126177 [0,1,0,0,0,0|0,0,2]=3 168 B10R0.98 N[C@@H](C\C=C\C(O)=O)C(O)=O Amb24763009 [0,1,0,0,0,0|0,0,2]=3 169 B10R0.98 N[C@H](C\C=C\C(O)=O)C(O)=O Amb25383155 [0,1,0,0,0,0|0,0,2]=3 170 B10R0.98 OC(=C\C=C\C(O)=O)C(O)=O Amb25209357 [0,1,0,0,0,0|0,0,0]=1 171 B10R0.98 OC(=O)C(=O)C\C=C\C(O)=O Amb24766946 [0,1,0,0,0,0|0,0,1]=2 172 B10R0.98 OC(=O)C(F)=C\C=C\C(O)=O Amb24682871 [0,1,0,0,0,0|0,0,0]=1 173 B10R0.98 OC(=O)C(O)\C=C\CC(O)=O Amb25383439 [0,1,0,0,0,0|0,0,2]=3 174 B10R0.98 OC(=O)CONC(=O)C(=O)O Amb16185780 [0,1,0,0,0,0|2,0,1]=4 175 B10R0.98 OC(=O)\C(\Cl)=C\C=C\C(O)=O Amb18127799 [0,1,0,0,0,0|0,0,0]=1 176 B10R0.98 OC(=O)\C(\F)=C/C=C\C(O)=O Amb24739746 [0,1,0,0,0,0|0,0,0]=1 177 B10R0.98 OC(=O)\C(\O)=C/SCC(O)=O Amb25386410 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.54 CC(=O)Cc1ccc(o1)C Amb17477800 [0,0,0,1,0,0|2,0,1]=4 179 B10R1.54 CC(=O)NC1C=CC(=O)O1 Amb20246300 [0,0,0,1,0,0|2,0,1]=4 180 B10R1.54 CC(=O)OC1C=CC(=O)O1 Amb25367336 [0,0,0,1,0,0|2,0,1]=4 181 B10R1.54 CC(=O)\C=C\1/C=CC(=O)O1 Amb25143351 [0,0,0,1,0,0|1,0,0]=2 182 B10R1.54 CC(O)\C=C\1/C=CC(=O)O1 Amb24577275 [0,0,0,1,0,0|1,0,1]=3 183 B10R1.54 Cc1[n]cc(CC(O)=O)o1 Amb18202766 [0,0,0,1,0,0|2,0,1]=4 184 B10R1.54 Cc1c[n]c(CC(O)=O)o1 Amb18831795 [0,0,0,1,0,0|2,0,1]=4 185 B10R1.54 Cc1ccc(CC(O)=O)[nH]1 Amb18832131 [0,0,0,1,0,0|2,0,1]=4 186 B10R1.54 Cc1ccc(CC(O)=O)o1 Amb18960367 [0,0,0,1,0,0|1,0,1]=3 187 B10R1.54 Cc1ccc(o1)OC(C)=O Amb24741995 [0,0,0,1,0,0|3,0,0]=4 188 B10R1.54 Cc1ccc(s1)CC(=O)O Amb2234463 [0,0,0,1,0,0|1,1,1]=4 189 B10R1.54 NC(=O)CC1C=CC(=O)O1 Amb24382507 [0,0,0,1,0,0|1,0,2]=4 190 B10R1.54 NC(=O)NC1C=CC(=O)O1 Amb24680935 [0,0,0,1,0,0|2,0,1]=4 191 B10R1.54 Nc1[n]cc(CC(O)=O)o1 Amb18202644 [0,0,0,1,0,0|2,0,1]=4 192 B10R1.54 OC(=O)CC1=CCC(=O)O1 Amb25703174 [0,0,0,1,0,0|0,0,2]=3 193 B10R1.54 OC(=O)CC1=CNC(=O)N1 Amb24715588 [0,0,0,1,0,0|2,0,1]=4 194 B10R1.54 OC(=O)CC1=CSC(=O)N1 Amb18534615 [0,0,0,1,0,0|2,0,1]=4 195 B10R1.54 OC(=O)CC1CC(=O)C=C1 Amb25831069 [0,0,0,1,0,0|1,0,2]=4 196 B10R1.54 OC(=O)CN1C=CC(=O)O1 Amb25340496 [0,0,0,1,0,0|1,0,1]=3 197 B10R1.54 OC(=O)C[C@@H]1CC(=O)C=C1 Amb24746679 [0,0,0,1,0,0|1,0,2]=4 198 B10R1.54 OC(=O)C[C@H]1C=CC(=O)O1 Amb25069009 [0,0,0,1,0,0|0,0,2]=3 199 B10R1.54 OC(=O)Cc1ccc(Br)[nH]1 Amb25090619 [0,0,0,1,0,0|2,0,1]=4 200 B10R1.54 OC(=O)Cc1ccc(F)[s]1 Amb24269131 [0,0,0,1,0,0|1,1,1]=4 201 B10R1.54 OC(=O)Cc1ccc(F)o1 Amb25842555 [0,0,0,1,0,0|1,0,1]=3 202 B10R1.54 OC(=O)Cc1ccc(I)o1 Amb24622567 [0,0,0,1,0,0|1,0,1]=3 203 B10R1.54 OC(=O)Cc1ccc(s1)Br Amb2237320 [0,0,0,1,0,0|1,1,1]=4 204 B10R1.54 OC(=O)Cc1ccc(s1)Cl Amb2235520 [0,0,0,1,0,0|1,1,1]=4 205 B10R1.54 OC(=O)\C=C/1\CCC(=O)N1 Amb24561894 [0,0,0,1,0,0|1,0,2]=4 206 B10R1.54 OC(=O)\C=C\1/C=CC(=O)O1 Amb18643475 [0,0,0,1,0,0|0,0,0]=1 207 B10R1.54 Oc1c[n]c(CC(O)=O)[nH]1 Amb18862464 [0,0,0,1,0,0|2,0,1]=4 208 B10R1.54 Oc1c[s]c(CC(O)=O)c1 Amb25338381 [0,0,0,1,0,0|2,0,1]=4 209 B10R1.71 O=C1C=CC(=O)C=CC=C1 Amb24478114 [0,0,0,1,0,0|2,0,0]=3 210 B10R1.113 Brc1cccc(n1)C(=O)N Amb10068098 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.113 Brc1nccc(c1)C(=O)O Amb1353186 [0,0,0,1,0,0|3,0,0]=4 212 B10R1.113 C=C(Br)c1cccc(O)c1 Amb25130635 [0,0,0,1,0,0|3,0,0]=4 213 B10R1.113 CC(=C)c1cccc(O)c1 Amb18124424 [0,0,0,1,0,0|3,0,0]=4 214 B10R1.113 CC(=O)C1=CC=CC(=O)N1 Amb22372289 [0,0,0,1,0,0|2,0,0]=3 215 B10R1.113 CC(=O)C1=CC=CC(=S)N1 Amb24518912 [0,0,0,1,0,0|2,1,0]=4 216 B10R1.113 CC(=O)C=1NC=CC(=O)N1 Amb24062679 [0,0,0,1,0,0|3,0,0]=4 217 B10R1.113 CC(=O)c1c[n]cc(O)c1 Amb23399982 [0,0,0,1,0,0|3,0,0]=4 218 B10R1.113 CC(=O)c1cc(O)cc[n]1 Amb23399916 [0,0,0,1,0,0|3,0,0]=4 219 B10R1.113 CC(=O)c1cccc(F)[n]1 Amb21857925 [0,0,0,1,0,0|3,0,0]=4 220 B10R1.113 CC(=O)c1cccc(N)[n]1 Amb23401921 [0,0,0,1,0,0|3,0,0]=4 221 B10R1.113 CC(=O)c1cccc(S)c1 Amb19374493 [0,0,0,1,0,0|2,1,0]=4 222 B10R1.113 CN1CC(=CC=C1)C(O)=O Amb24680947 [0,0,0,1,0,0|3,0,0]=4 223 B10R1.113 C[n+]1cc(ccc1)C(O)=O Amb22363937 [0,0,0,1,0,0|3,0,0]=4 224 B10R1.113 Cc1cc([n]cc1)C(O)=O Amb22490414 [0,0,0,1,0,0|3,0,0]=4 225 B10R1.113 Cc1cc(ccc1)C(O)=S Amb24535989 [0,0,0,1,0,0|2,1,0]=4 226 B10R1.113 Cc1cc(ccc1)S(O)=O Amb18563469 [0,0,0,1,0,0|3,0,0]=4 227 B10R1.113 Cc1cc(cnc1)C(=O)O Amb10068354 [0,0,0,1,0,0|3,0,0]=4 228 B10R1.113 Cc1cccc([n]1)C(O)=O Amb24081761 [0,0,0,1,0,0|2,0,0]=3 229 B10R1.113 Cc1cccc(n1)C(=O)C Amb10069245 [0,0,0,1,0,0|3,0,0]=4 230 B10R1.113 Cc1cccc(n1)C(=O)Cl Amb10610376 [0,0,0,1,0,0|3,0,0]=4 231 B10R1.113 Cc1nccc(n1)C(=O)O Amb10602122 [0,0,0,1,0,0|3,0,0]=4 232 B10R1.113 Clc1cccc(c1)C(=O)N Amb1218066 [0,0,0,1,0,0|3,0,0]=4 233 B10R1.113 Clc1cccc(c1)C(=O)O Amb2223069 [0,0,0,1,0,0|2,0,0]=3 234 B10R1.113 Clc1cccc(c1)C(=O)[O-] Amb10069116 [0,0,0,1,0,0|2,0,1]=4 235 B10R1.113 Clc1cccc(n1)C(=O)C Amb10603338 [0,0,0,1,0,0|3,0,0]=4 236 B10R1.113 Clc1cccc(n1)C(=O)O Amb1197598 [0,0,0,1,0,0|2,0,0]=3 237 B10R1.113 Clc1nccc(c1)C(=O)O Amb1221736 [0,0,0,1,0,0|3,0,0]=4 238 B10R1.113 Fc1cccc(n1)C(=O)N Amb10607167 [0,0,0,1,0,0|3,0,0]=4 239 B10R1.113 Fc1nccc(c1)C(=O)O Amb2447269 [0,0,0,1,0,0|3,0,0]=4 240 B10R1.113 NC(=N)c1cccc(O)[n]1 Amb22059491 [0,0,0,1,0,0|3,0,0]=4 241 B10R1.113 NC(=O)C1=CC(=O)NC=C1 Amb22489898 [0,0,0,1,0,0|3,0,0]=4 242 B10R1.113 NC(=O)C1=CC=CC(=O)O1 Amb24622493 [0,0,0,1,0,0|1,0,0]=2 243 B10R1.113 NC(=O)C=1C=CNC(=O)N1 Amb22501031 [0,0,0,1,0,0|3,0,0]=4 244 B10R1.113 NC(=O)c1cc(O)cc[n]1 Amb23412183 [0,0,0,1,0,0|3,0,0]=4 245 B10R1.113 NC(=O)c1cc(O)cnc1 Amb10608604 [0,0,0,1,0,0|3,0,0]=4 246 B10R1.113 NC(=O)c1cccc(O)[n]1 Amb24182048 [0,0,0,1,0,0|2,0,0]=3 247 B10R1.113 NC(=O)c1cccc(S)[n]1 Amb25758927 [0,0,0,1,0,0|2,1,0]=4 248 B10R1.113 NC(=O)c1cccc(S)c1 Amb24059371 [0,0,0,1,0,0|2,1,0]=4 249 B10R1.113 Nc1c[n]cc([n]1)C(O)=O Amb18643357 [0,0,0,1,0,0|3,0,0]=4 250 B10R1.113 Nc1cc([n]cc1)C(O)=O Amb19958023 [0,0,0,1,0,0|3,0,0]=4 251 B10R1.113 Nc1cc(ccc1)C(=O)Cl Amb24085841 [0,0,0,1,0,0|3,0,0]=4 252 B10R1.113 Nc1cc(ccc1)C(=O)F Amb25698257 [0,0,0,1,0,0|3,0,0]=4 253 B10R1.113 Nc1cc(ccc1)C([O-])=O Amb22730283 [0,0,0,1,0,0|2,0,1]=4 254 B10R1.113 Nc1cc[n]c([n]1)C(O)=O Amb18202983 [0,0,0,1,0,0|3,0,0]=4 255 B10R1.113 Nc1cccc([n]1)C(=O)Cl Amb24650006 [0,0,0,1,0,0|3,0,0]=4 256 B10R1.113 Nc1cccc([n]1)C(N)=O Amb18279842 [0,0,0,1,0,0|3,0,0]=4 257 B10R1.113 Nc1cccc(c1)C(=O)N Amb1106189 [0,0,0,1,0,0|3,0,0]=4 258 B10R1.113 Nc1cccc(c1)C(=O)O Amb1935166 [0,0,0,1,0,0|2,0,0]=3 259 B10R1.113 Nc1cccc(n1)C(=O)O Amb1235493 [0,0,0,1,0,0|2,0,0]=3 260 B10R1.113 O=C(Cl)c1cccc(Br)[n]1 Amb24077446 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.113 O=C(Cl)c1cccc(S)c1 Amb21961741 [0,0,0,1,0,0|2,1,0]=4 262 B10R1.113 O=C1C=C(C=CN1)C(=O)Cl Amb24448901 [0,0,0,1,0,0|3,0,0]=4 263 B10R1.113 O=C1C=CC=C(O1)C(=O)Cl Amb25114148 [0,0,0,1,0,0|1,0,0]=2 264 B10R1.113 O=C1C=CC=C(O1)C(F)F Amb25289941 [0,0,0,1,0,0|2,0,1]=4 265 B10R1.113 O=C1C=COC(=C1)C(=O)Cl Amb25067758 [0,0,0,1,0,0|3,0,0]=4 266 B10R1.113 O=C1NC=CC(=N1)C(=O)F Amb24727697 [0,0,0,1,0,0|3,0,0]=4 267 B10R1.113 OB(O)C1=CC=CC(=O)N1 Amb20615950 [0,0,0,1,0,0|2,0,1]=4 268 B10R1.113 OC(=O)C1=CC(=O)C=CN1 Amb18832139 [0,0,0,1,0,0|2,0,0]=3 269 B10R1.113 OC(=O)C1=CC(=O)C=CO1 Amb18643476 [0,0,0,1,0,0|2,0,0]=3 270 B10R1.113 OC(=O)C1=CC(=O)N=CN1 Amb17933819 [0,0,0,1,0,0|3,0,0]=4 271 B10R1.113 OC(=O)C1=CC(=O)NC=C1 Amb18124536 [0,0,0,1,0,0|2,0,0]=3 272 B10R1.113 OC(=O)C1=CC(=O)NC=N1 Amb18062111 [0,0,0,1,0,0|3,0,0]=4 273 B10R1.113 OC(=O)C1=CC(=O)NN=C1 Amb19894955 [0,0,0,1,0,0|3,0,0]=4 274 B10R1.113 OC(=O)C1=CC=CC(=O)N1 Amb19514344 [0,0,0,1,0,0|1,0,0]=2 275 B10R1.113 OC(=O)C1=CC=CC(=O)O1 Amb18643477 [0,0,0,1,0,0|0,0,0]=1 276 B10R1.113 OC(=O)C1=CC=NC(=O)N1 Amb19957719 [0,0,0,1,0,0|2,0,0]=3 277 B10R1.113 OC(=O)C1=CN=CC(=O)N1 Amb22011470 [0,0,0,1,0,0|2,0,0]=3 278 B10R1.113 OC(=O)C1CC(=O)C=CC1 Amb18643491 [0,0,0,1,0,0|1,0,2]=4 279 B10R1.113 OC(=O)C1CC(=O)C=CO1 Amb25077319 [0,0,0,1,0,0|2,0,1]=4 280 B10R1.113 OC(=O)C1CC(=O)CC=C1 Amb18643492 [0,0,0,1,0,0|1,0,2]=4 281 B10R1.113 OC(=O)C=1C=CNC(=S)C1 Amb19514542 [0,0,0,1,0,0|2,1,0]=4 282 B10R1.113 OC(=O)C=1NC=NC(=O)N1 Amb24568302 [0,0,0,1,0,0|3,0,0]=4 283 B10R1.113 OC(=O)[C@@H]1C=CCC(=O)N1 Amb25758069 [0,0,0,1,0,0|1,0,2]=4 284 B10R1.113 OC(=O)c1[n]c(Br)cc[n]1 Amb25375744 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.113 OC(=O)c1[n]c(Cl)cc[n]1 Amb20241397 [0,0,0,1,0,0|3,0,0]=4 286 B10R1.113 OC(=O)c1c[n]cc(Br)[n]1 Amb22728068 [0,0,0,1,0,0|3,0,0]=4 287 B10R1.113 OC(=O)c1c[n]cc(F)[n]1 Amb21961694 [0,0,0,1,0,0|3,0,0]=4 288 B10R1.113 OC(=O)c1c[n]cc(F)c1 Amb24094670 [0,0,0,1,0,0|3,0,0]=4 289 B10R1.113 OC(=O)c1c[n]cc(I)[n]1 Amb24717007 [0,0,0,1,0,0|3,0,0]=4 290 B10R1.113 OC(=O)c1cc(Br)ccn1 Amb2541475 [0,0,0,1,0,0|3,0,0]=4 291 B10R1.113 OC(=O)c1cc(Br)cnc1 Amb1232836 [0,0,0,1,0,0|3,0,0]=4 292 B10R1.113 OC(=O)c1cc(Cl)ccn1 Amb1106613 [0,0,0,1,0,0|3,0,0]=4 293 B10R1.113 OC(=O)c1cc(Cl)cnc1 Amb2540665 [0,0,0,1,0,0|3,0,0]=4 294 B10R1.113 OC(=O)c1cc(F)cc[n]1 Amb19958323 [0,0,0,1,0,0|3,0,0]=4 295 B10R1.113 OC(=O)c1cc(I)ccn1 Amb10975473 [0,0,0,1,0,0|3,0,0]=4 296 B10R1.113 OC(=O)c1cc(I)ccn1 Amb2540668 [0,0,0,1,0,0|3,0,0]=4 297 B10R1.113 OC(=O)c1cc(S)cc[n]1 Amb18278971 [0,0,0,1,0,0|2,1,0]=4 298 B10R1.113 OC(=O)c1cc[nH]c(=O)c1 Amb10069108 [0,0,0,1,0,0|2,0,0]=3 299 B10R1.113 OC(=O)c1cc[n]c(Br)[n]1 Amb22499757 [0,0,0,1,0,0|3,0,0]=4 300 B10R1.113 OC(=O)c1cc[n]c(S)[n]1 Amb18200233 [0,0,0,1,0,0|2,1,0]=4 301 B10R1.113 OC(=O)c1cccn(=O)c1 Amb17749046 [0,0,0,1,0,0|2,0,0]=3 302 B10R1.113 OC(=O)c1cn[nH]c(=O)c1 Amb10603875 [0,0,0,1,0,0|3,0,0]=4 303 B10R1.113 OC(=O)c1cncc(n1)Cl Amb10067218 [0,0,0,1,0,0|3,0,0]=4 304 B10R1.113 OC(=S)c1cccc(F)[n]1 Amb24586609 [0,0,0,1,0,0|2,1,0]=4 305 B10R1.113 OS(=O)c1cccc(Br)c1 Amb24626118 [0,0,0,1,0,0|3,0,0]=4 306 B10R1.113 OS(=O)c1cccc(Cl)c1 Amb18564048 [0,0,0,1,0,0|3,0,0]=4 307 B10R1.113 OS(=O)c1cccc(F)c1 Amb25263422 [0,0,0,1,0,0|3,0,0]=4 308 B10R1.113 Oc1[n]c(cc[n]1)C(O)=O Amb21927951 [0,0,0,1,0,0|2,0,0]=3 309 B10R1.113 Oc1c[n][n]c(c1)C(O)=O Amb24428124 [0,0,0,1,0,0|3,0,0]=4 310 B10R1.113 Oc1cc(ccc1)B(O)O Amb22740112 [0,0,0,1,0,0|2,0,1]=4 311 B10R1.113 Oc1cc(ccc1)C(=O)Br Amb24102249 [0,0,0,1,0,0|2,0,0]=3 312 B10R1.113 Oc1cc(ccc1)N(=O)=O Amb20621867 [0,0,0,1,0,0|2,0,1]=4 313 B10R1.113 Oc1cccc([n]1)B(O)O Amb20621448 [0,0,0,1,0,0|2,0,1]=4 314 B10R1.113 Oc1cccc(c1)B(O)O Amb2447025 [0,0,0,1,0,0|2,0,1]=4 315 B10R1.113 Oc1cccc(c1)C(=N)N Amb13883012 [0,0,0,1,0,0|3,0,0]=4 316 B10R1.113 Oc1cccc(c1)C(=O)O Amb1208301 [0,0,0,1,0,0|1,0,0]=2 317 B10R1.113 Oc1cccc(c1)P(O)=O Amb25318918 [0,0,0,1,0,0|2,0,0]=3 318 B10R1.113 Oc1cccc(c1)[C@@H](O)C Amb13952963 [0,0,0,1,0,0|2,0,1]=4 319 B10R1.113 Oc1cccc(c1)[C@H](O)C Amb13952964 [0,0,0,1,0,0|2,0,1]=4 320 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] Amb1929299 [0,0,0,1,0,0|2,0,1]=4 321 B10R1.113 Oc1ccnc(c1)C(=O)O Amb1303199 [0,0,0,1,0,0|2,0,0]=3 322 B10R1.113 Oc1cncc(c1)C(=O)[O-] Amb1775314 [0,0,0,1,0,0|2,0,1]=4 323 B10R1.113 Sc1cccc(n1)C(=O)O Amb1208363 [0,0,0,1,0,0|1,1,0]=3 324 B10R1.113 [O-]C(=O)c1cccc(O)c1 Amb22277134 [0,0,0,1,0,0|1,0,1]=3 325 B10R1.113 [O-][N+](=O)C1=CC=CC(=O)N1 Amb23401202 [0,0,0,1,0,0|2,0,1]=4 326 B10R1.113 [O-][n+]1cccc(c1)C(=O)O Amb10576565 [0,0,0,1,0,0|2,0,1]=4 327 B10R1.361 OC(=O)C=1CCC1C(O)=O Amb24615623 [0,0,0,1,0,0|0,0,2]=3 328 B10R1.368 OC(=O)[C@@H]/1C\C1=C\C(O)=O Amb25827923 [0,0,0,1,0,0|0,0,2]=3 329 B8R0.28 CC(=C)\C=C\CC(O)=O Amb18642409 [0,0,0,0,1,0|2,0,1]=4 330 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [0,0,0,0,1,0|1,0,1]=3 331 B8R0.28 CC(=O)N\C=C\C(N)=O Amb24477760 [0,0,0,0,1,0|3,0,0]=4 332 B8R0.28 CC(=O)\C=C/CC(C)=O Amb25072729 [0,0,0,0,1,0|2,0,1]=4 333 B8R0.28 CC(=O)\C=C/NC(C)=O Amb24072874 [0,0,0,0,1,0|3,0,0]=4 334 B8R0.28 CC(=O)\C=C\CC(C)=O Amb25238337 [0,0,0,0,1,0|2,0,1]=4 335 B8R0.28 CC(=O)\C=C\NC(C)=O Amb24072848 [0,0,0,0,1,0|3,0,0]=4 336 B8R0.28 CC(=O)\C=C\OC(C)=O Amb25225602 [0,0,0,0,1,0|3,0,0]=4 337 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [0,0,0,0,1,0|2,0,1]=4 338 B8R0.28 CC(C)=C\C=C\C(O)=O Amb18642414 [0,0,0,0,1,0|2,0,0]=3 339 B8R0.28 CC(O)C\C=C\C(O)=O Amb18642771 [0,0,0,0,1,0|1,0,2]=4 340 B8R0.28 CS(=O)C\C=C\C(O)=O Amb24586059 [0,0,0,0,1,0|2,0,1]=4 341 B8R0.28 C[C@@H](O)C\C=C\C(O)=O Amb25250610 [0,0,0,0,1,0|1,0,2]=4 342 B8R0.28 NC(=N)S\C=C/C(O)=O Amb22733172 [0,0,0,0,1,0|3,0,0]=4 343 B8R0.28 NC(=O)NN=CC(O)=O Amb24616453 [0,0,0,0,1,0|3,0,0]=4 344 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,1,0|3,0,0]=4 345 B8R0.28 NC(=O)\C=C\CC(N)=O Amb24721870 [0,0,0,0,1,0|2,0,1]=4 346 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [0,0,0,0,1,0|2,1,0]=4 347 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [0,0,0,0,1,0|0,0,3]=4 348 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [0,0,0,0,1,0|0,0,1]=2 349 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [0,0,0,0,1,0|0,0,3]=4 350 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [0,0,0,0,1,0|0,0,3]=4 351 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [0,0,0,0,1,0|2,0,1]=4 352 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [0,0,0,0,1,0|0,0,1]=2 353 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [0,0,0,0,1,0|3,0,0]=4 354 B8R0.28 OC(=O)\C=C\OP(O)=O Amb24560361 [0,0,0,0,1,0|2,0,0]=3 355 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [0,0,0,0,1,0|0,0,3]=4 356 B10R0.97 CC(=O)N\C=N\C=C\C(O)=O Amb24355904 [0,0,0,0,0,1|2,0,0]=3 357 B10R0.97 CC(=O)\C=C/N\C=C/C(C)=O Amb24483924 [0,0,0,0,0,1|2,0,0]=3 358 B10R0.97 CC(=O)\C=C\NC=CC(C)=O Amb25179007 [0,0,0,0,0,1|2,0,0]=3 359 B10R0.97 CC(=O)\C=C\N\C=C/C(C)=O Amb25735079 [0,0,0,0,0,1|2,0,0]=3 360 B10R0.97 CC(=O)\C=C\O\C=C\C(C)=O Amb24765186 [0,0,0,0,0,1|2,0,0]=3 361 B10R0.97 CC(C)=CCC\C=C\C(O)=O Amb18125771 [0,0,0,0,0,1|2,0,1]=4 362 B10R0.97 CC(C)=CCO\C=C\C(O)=O Amb18644791 [0,0,0,0,0,1|2,0,1]=4 363 B10R0.97 CC(C)C\C=C\C=CC(O)=O Amb25379757 [0,0,0,0,0,1|2,0,1]=4 364 B10R0.97 CC(C)O\C=C\C=C/C(O)=O Amb25385224 [0,0,0,0,0,1|2,0,1]=4 365 B10R0.97 NC(=O)CCN\C=C\C(O)=O Amb25381541 [0,0,0,0,0,1|1,0,2]=4 366 B10R0.97 NC(=O)\C=C\CC=CC(N)=O Amb25385254 [0,0,0,0,0,1|2,0,0]=3 367 B10R0.97 OC(=O)\C=C/S\C=C/C(O)=O Amb18647804 [0,0,0,0,0,1|0,0,0]=1 368 B7R0.1 BC=CC=CC=CN Amb24622514 [2,0,0,0,0,0|2,0,0]=4 369 B7R0.1 C#C\C=C\C=C\C=O Amb24483025 [2,0,0,0,0,0|1,0,1]=4 370 B7R0.1 C=CC=C\C=C\CO Amb25136336 [2,0,0,0,0,0|1,0,1]=4 371 B7R0.1 C=C\C=C\C=C/C=O Amb25678638 [2,0,0,0,0,0|1,0,0]=3 372 B7R0.1 C=C\C=C\C=CC=O Amb25302366 [2,0,0,0,0,0|1,0,0]=3 373 B7R0.1 C=C\C=C\C=C\C=O Amb24334581 [2,0,0,0,0,0|1,0,0]=3 374 B7R0.1 C=C\C=N\C=CC=O Amb24642996 [2,0,0,0,0,0|2,0,0]=4 375 B7R0.1 CC\C=C/C=C/C=O Amb25040049 [2,0,0,0,0,0|1,0,1]=4 376 B7R0.1 CC\C=C/C=C\C=O Amb24666726 [2,0,0,0,0,0|1,0,1]=4 377 B7R0.1 C\C=C\C=C/C=C\Br Amb25169520 [2,0,0,0,0,0|2,0,0]=4 378 B7R0.1 C\C=C\C=C\C=N\O Amb24710705 [2,0,0,0,0,0|2,0,0]=4 379 B7R0.1 C\C=C\C\C=C\C=O Amb24722156 [2,0,0,0,0,0|1,0,1]=4 380 B7R0.1 ClC=CC=CC=CCl Amb24617319 [2,0,0,0,0,0|2,0,0]=4 381 B7R0.1 ClC=CC=C\C=C\Cl Amb24334117 [2,0,0,0,0,0|2,0,0]=4 382 B7R0.1 N#CC=C\C=C\C=O Amb24568010 [2,0,0,0,0,0|1,0,1]=4 383 B7R0.1 N#C\C=C\C=C\C=O Amb18122617 [2,0,0,0,0,0|1,0,1]=4 384 B7R0.1 O=CC=C\C=C\C=O Amb25209344 [2,0,0,0,0,0|0,0,0]=2 385 B7R0.1 O=CC=C\C=C\CBr Amb24614651 [2,0,0,0,0,0|1,0,1]=4 386 B7R0.1 O=CC=C\C=C\CCl Amb25810586 [2,0,0,0,0,0|1,0,1]=4 387 B7R0.1 O=CCC=C\C=C\Br Amb24691351 [2,0,0,0,0,0|1,0,1]=4 388 B7R0.1 O=CCC\C=C/C=O Amb24453308 [2,0,0,0,0,0|0,0,2]=4 389 B7R0.1 O=CCC\C=C\C=O Amb18124241 [2,0,0,0,0,0|0,0,2]=4 390 B7R0.1 O=CC\C=C\C=CBr Amb24533959 [2,0,0,0,0,0|1,0,1]=4 391 B7R0.1 O=C\C=C/C=C\C=O Amb25046710 [2,0,0,0,0,0|0,0,0]=2 392 B7R0.1 O=C\C=C\C=C/C=O Amb17593128 [2,0,0,0,0,0|0,0,0]=2 393 B7R0.1 O=C\C=C\C=C\CBr Amb25241523 [2,0,0,0,0,0|1,0,1]=4 394 B7R0.1 OC\C=C\C=CCO Amb25278646 [2,0,0,0,0,0|0,0,2]=4 395 B7R0.4 Br\C=C/C=C/C(=O)C Amb10066945 [2,0,0,0,0,0|2,0,0]=4 396 B7R0.4 C=CC\C=C\C(O)=O Amb18641681 [2,0,0,0,0,0|0,0,1]=3 397 B7R0.4 C=C\C=C\CC(N)=O Amb25848874 [2,0,0,0,0,0|1,0,1]=4 398 B7R0.4 CC(=O)C=CC=CBr Amb24081602 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.4 CC(=O)C\C=C\C=C Amb24711717 [2,0,0,0,0,0|1,0,1]=4 400 B7R0.4 CC(=O)N\C=C\C=C Amb25709129 [2,0,0,0,0,0|2,0,0]=4 401 B7R0.4 CC(=O)N\C=C\C=O Amb18124245 [2,0,0,0,0,0|2,0,0]=4 402 B7R0.4 CC(=O)O/C=C/C=C Amb17673774 [2,0,0,0,0,0|2,0,0]=4 403 B7R0.4 CC(=O)O\C=C\C=O Amb25237598 [2,0,0,0,0,0|2,0,0]=4 404 B7R0.4 CC(=O)S\C=C\C=O Amb24668965 [2,0,0,0,0,0|2,0,0]=4 405 B7R0.4 CC(=O)\C=C\C=C/Cl Amb25745342 [2,0,0,0,0,0|2,0,0]=4 406 B7R0.4 CC(=O)\C=C\C=CBr Amb24627229 [2,0,0,0,0,0|2,0,0]=4 407 B7R0.4 CC(=O)\C=C\C=CCl Amb25179030 [2,0,0,0,0,0|2,0,0]=4 408 B7R0.4 CC(=O)\C=C\C=C\Br Amb25675765 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.4 C\C(\Br)=C/C=C/C=O Amb25309575 [2,0,0,0,0,0|2,0,0]=4 410 B7R0.4 C\C(\O)=C\C=C/C=O Amb25096071 [2,0,0,0,0,0|1,0,0]=3 411 B7R0.4 C\C(\O)=C\C=CC=O Amb24741180 [2,0,0,0,0,0|1,0,0]=3 412 B7R0.4 C\C=C/C=C\C(C)=O Amb24538831 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.4 C\C=C\C=C\C(=O)C Amb17593137 [2,0,0,0,0,0|1,0,1]=4 414 B7R0.4 C\C=C\C=C\C(=O)Cl Amb17142857 [2,0,0,0,0,0|1,0,1]=4 415 B7R0.4 C\C=C\C=C\C(=O)N Amb17142853 [2,0,0,0,0,0|1,0,1]=4 416 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [2,0,0,0,0,0|0,0,1]=3 417 B7R0.4 C\C=C\C=C\C([O-])=O Amb19957956 [2,0,0,0,0,0|0,0,2]=4 418 B7R0.4 C\C=C\C=C\C([O-])=O Amb22735151 [2,0,0,0,0,0|0,0,2]=4 419 B7R0.4 O=CC=CC=C(Cl)Cl Amb24559244 [2,0,0,0,0,0|2,0,0]=4 420 B7R0.4 OC(=O)C\C=C\C=C Amb17593152 [2,0,0,0,0,0|0,0,1]=3 421 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [2,0,0,0,0,0|0,0,1]=3 422 B7R0.4 OC(=O)\C=C\C=CCl Amb24562254 [2,0,0,0,0,0|1,0,0]=3 423 B7R0.4 OCC\C=C\C(O)=O Amb21929352 [2,0,0,0,0,0|0,0,2]=4 424 B9R0.1 C=CC(=O)N\C=C\C(O)=O Amb24649046 [1,1,0,0,0,0|2,0,0]=4 425 B9R0.1 CC(C=O)=CNCC(O)=O Amb25255566 [1,1,0,0,0,0|1,0,1]=4 426 B9R0.1 C\C(=C/C=CC(O)=O)\C#N Amb25367302 [1,1,0,0,0,0|1,0,1]=4 427 B9R0.1 C\C(\C=C)=C/C=C/C(C)=O Amb25146521 [1,1,0,0,0,0|2,0,0]=4 428 B9R0.1 C\C(\C=C)=C\C=CC(O)=O Amb25340447 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.1 C\C(\C=O)=C/NCC(O)=O Amb25339921 [1,1,0,0,0,0|1,0,1]=4 430 B9R0.1 C\C(\CO)=C/C=C/C(O)=O Amb24410692 [1,1,0,0,0,0|0,0,1]=3 431 B9R0.1 O=C\C(=C\C=C\C(=O)C)\C Amb10068394 [1,1,0,0,0,0|1,0,0]=3 432 B9R0.1 OC(=O)CN\C=C(/O)\C=O Amb25147598 [1,1,0,0,0,0|1,0,1]=4 433 B9R0.1 OC(=O)\C=C\C=C(/Cl)\C=O Amb25060734 [1,1,0,0,0,0|0,0,0]=2 434 B9R0.2 CC(=O)N\C=C\C=C/CO Amb24428235 [1,1,0,0,0,0|1,0,1]=4 435 B9R0.2 CC(=O)N\C=C\C=CC=O Amb24629598 [1,1,0,0,0,0|1,0,0]=3 436 B9R0.2 CC(=O)N\C=C\C=CCO Amb25340655 [1,1,0,0,0,0|1,0,1]=4 437 B9R0.2 CC(=O)O\C=C\C=C\C=O Amb25311232 [1,1,0,0,0,0|1,0,0]=3 438 B9R0.2 CC(C)=C\C=C/C=C/C=O Amb25365213 [1,1,0,0,0,0|2,0,0]=4 439 B9R0.2 CC(C)=C\C=C\C=C/C=O Amb24669006 [1,1,0,0,0,0|2,0,0]=4 440 B9R0.2 CC(C)=C\C=C\C=C\C=O Amb18643094 [1,1,0,0,0,0|2,0,0]=4 441 B9R0.2 CC=CC=CC=CC(C)=O Amb25238403 [1,1,0,0,0,0|2,0,0]=4 442 B9R0.2 CC=CC=CC=CC(O)=O Amb24561626 [1,1,0,0,0,0|1,0,0]=3 443 B9R0.2 CCC\C=C\C=C\C(O)=O Amb25836826 [1,1,0,0,0,0|1,0,1]=4 444 B9R0.2 CC\C=C\C=C\CC(O)=O Amb18643575 [1,1,0,0,0,0|1,0,1]=4 445 B9R0.2 COC\C=C/C=C/C(O)=O Amb24505179 [1,1,0,0,0,0|0,0,1]=3 446 B9R0.2 CO\C=C\C=C\CC(O)=O Amb25213919 [1,1,0,0,0,0|0,0,1]=3 447 B9R0.2 C\C=C\C=CC#CC(O)=O Amb24562774 [1,1,0,0,0,0|1,0,1]=4 448 B9R0.2 C\C=C\C=C\C#CC(=O)O Amb17593444 [1,1,0,0,0,0|1,0,1]=4 449 B9R0.2 C\C=C\C=C\C=C/C(C)=O Amb25822807 [1,1,0,0,0,0|2,0,0]=4 450 B9R0.2 C\C=C\C=C\C=C\C(C)=O Amb25185305 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.2 C\C=C\C=C\CCC(O)=O Amb18643576 [1,1,0,0,0,0|1,0,1]=4 452 B9R0.2 C\C=C\CC=CCC(O)=O Amb25076809 [1,1,0,0,0,0|1,0,1]=4 453 B9R0.2 C\C=C\CC\C=C\C(O)=O Amb25111532 [1,1,0,0,0,0|1,0,1]=4 454 B9R0.2 C\C=C\CN\C=C\C(O)=O Amb24625568 [1,1,0,0,0,0|1,0,1]=4 455 B9R0.2 N#CC=C\C=C\CC(O)=O Amb24480438 [1,1,0,0,0,0|1,0,1]=4 456 B9R0.2 O=C\C=C\C=CC=C(Cl)Cl Amb25259278 [1,1,0,0,0,0|2,0,0]=4 457 B9R0.2 O=C\C=C\C=C\C=C(Cl)Cl Amb25312922 [1,1,0,0,0,0|2,0,0]=4 458 B9R0.2 OC(=O)C=CC=CC=CBr Amb25240084 [1,1,0,0,0,0|1,0,0]=3 459 B9R0.2 OC(=O)C\C=C/CCC=O Amb24480684 [1,1,0,0,0,0|0,0,2]=4 460 B9R0.2 OC(=O)C\C=C\CCC=O Amb18643818 [1,1,0,0,0,0|0,0,2]=4 461 B9R0.2 OC(=O)\C=C\C=C\C=C\Br Amb25733431 [1,1,0,0,0,0|1,0,0]=3 462 B9R0.2 OC(=O)\C=C\CCCC=O Amb25253849 [1,1,0,0,0,0|0,0,2]=4 463 B9R0.2 OC\C=C\C=CC=C(Cl)Cl Amb25129639 [1,1,0,0,0,0|2,0,0]=4 464 B9R0.4 CC(=O)C=C(C)\C=C\C=O Amb24595251 [1,1,0,0,0,0|1,0,0]=3 465 B9R0.4 CC(=O)OC(=C)\C=C\C=O Amb24584495 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.4 C\C(=C\C(O)=O)\C=CC=C Amb25316740 [1,1,0,0,0,0|1,0,0]=3 467 B9R0.4 C\C(=C\C(O)=O)\C=CC=O Amb24562641 [1,1,0,0,0,0|0,0,0]=2 468 B9R0.4 C\C(=C\C(O)=O)\C=C\C#C Amb25340414 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.4 C\C(=C\C(O)=O)\C=C\C=C Amb24746708 [1,1,0,0,0,0|1,0,0]=3 470 B9R0.4 OC(=O)\C=C(\O)/C=CC=O Amb25370890 [1,1,0,0,0,0|0,0,0]=2 471 B9R0.46 CCC(=O)\C=C\C=C\C=O Amb24633418 [1,1,0,0,0,0|1,0,0]=3 472 B9R0.46 CC\C=C/C=C/C(=O)OC Amb10067166 [1,1,0,0,0,0|1,0,1]=4 473 B9R0.46 CC\C=C\C=CC(=O)OC Amb24606658 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.46 COC(=O)CC\C=C/C=O Amb24536495 [1,1,0,0,0,0|0,0,2]=4 475 B9R0.46 COC(=O)CC\C=C\C=O Amb18643849 [1,1,0,0,0,0|0,0,2]=4 476 B9R0.46 COC(=O)CN\C=C\C=O Amb24566966 [1,1,0,0,0,0|1,0,1]=4 477 B9R0.46 COC(=O)\C=C/C=C/C=O Amb24663130 [1,1,0,0,0,0|0,0,0]=2 478 B9R0.46 COC(=O)\C=C/CCC=O Amb25857445 [1,1,0,0,0,0|0,0,2]=4 479 B9R0.46 COC(=O)\C=C\C=C/C=O Amb25137299 [1,1,0,0,0,0|0,0,0]=2 480 B9R0.46 COC(=O)\C=C\C=CC=O Amb25223129 [1,1,0,0,0,0|0,0,0]=2 481 B9R0.46 COC(=O)\C=C\C=CCBr Amb25350207 [1,1,0,0,0,0|1,0,1]=4 482 B9R0.46 COC(=O)\C=C\C=C\C=O Amb18643494 [1,1,0,0,0,0|0,0,0]=2 483 B9R0.46 COC(=O)\C=C\CCC=O Amb18643851 [1,1,0,0,0,0|0,0,2]=4 484 B9R0.46 C\C=C\C\C=C\C(=O)OC Amb22346863 [1,1,0,0,0,0|1,0,1]=4 485 B9R0.47 CC(=O)C(=O)\C=C\C=NO Amb25263605 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.47 CC(=O)\C(\C)=C/C=C\C=O Amb24480509 [1,1,0,0,0,0|1,0,0]=3 487 B9R0.47 C\C(=C\C=CC#C)\C(O)=O Amb25245334 [1,1,0,0,0,0|1,0,1]=4 488 B9R0.47 C\C(=C\C=CCO)\C(O)=O Amb25174910 [1,1,0,0,0,0|0,0,1]=3 489 B9R0.47 C\C=C\C=CC(C)C(O)=O Amb25110532 [1,1,0,0,0,0|1,0,1]=4 490 B9R0.47 C\C=C\C=C\C(=O)C(O)=O Amb25294258 [1,1,0,0,0,0|1,0,0]=3 491 B9R0.47 N\C(=C\C=CC=O)\C(O)=O Amb25175066 [1,1,0,0,0,0|0,0,0]=2 492 B9R0.47 N\C(=C\C=C\C=O)\C(O)=O Amb24657315 [1,1,0,0,0,0|0,0,0]=2 493 B9R0.47 OC(=O)C(=O)C\C=C\C=O Amb18643789 [1,1,0,0,0,0|0,0,1]=3 494 B9R0.47 OC(=O)\C(\O)=C/C=C/C=O Amb25208968 [1,1,0,0,0,0|0,0,0]=2 495 B9R0.47 OC(=O)\C(\O)=C\C=C\C=O Amb18643785 [1,1,0,0,0,0|0,0,0]=2 496 B9R0.48 C=CCC(=O)\C=C\C(O)=O Amb18643496 [1,1,0,0,0,0|1,0,1]=4 497 B9R0.48 CC(=O)\C=C/C(/C)=C\C=O Amb25739204 [1,1,0,0,0,0|1,0,0]=3 498 B9R0.48 C\C(=C\CCl)\C=CC(O)=O Amb25339708 [1,1,0,0,0,0|1,0,1]=4 499 B9R0.48 C\C(=C\CCl)\C=C\C(O)=O Amb24480556 [1,1,0,0,0,0|1,0,1]=4 500 B9R0.48 C\C(\C=CC(O)=O)=C\CC Amb24562528 [1,1,0,0,0,0|1,0,1]=4 501 B9R0.48 C\C(\C=C\C(O)=O)=C/CC Amb18643546 [1,1,0,0,0,0|1,0,1]=4 502 B9R0.48 C\C=C\C(C)C=CC(O)=O Amb25340463 [1,1,0,0,0,0|1,0,1]=4 503 B9R0.48 OC(=O)\C=C\C(=O)CC=O Amb18643788 [1,1,0,0,0,0|0,0,1]=3 504 B9R0.48 OC(=O)\C=C\C(=O)\C=N\O Amb24524635 [1,1,0,0,0,0|1,0,0]=3 505 B9R0.48 OC(=O)\C=C\C(\O)=C\C=O Amb24469239 [1,1,0,0,0,0|0,0,0]=2 506 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,1,0,0,1,0|1,0,1]=4 507 B9R0.7 CC(C)=C(C)C=CC(O)=O Amb24514918 [0,1,0,0,1,0|2,0,0]=4 508 B9R0.7 CC(C)=C(C)\C=C\C(O)=O Amb18643593 [0,1,0,0,1,0|2,0,0]=4 509 B9R0.7 CC(C)=C\C=C(/C)\C(O)=O Amb24701987 [0,1,0,0,1,0|2,0,0]=4 510 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,1,0,0,1,0|1,0,1]=4 511 B9R0.7 CC(\C=C\C(N)=O)C(O)=O Amb25174967 [0,1,0,0,1,0|1,0,1]=4 512 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,1,0,0,1,0|0,0,1]=3 513 B9R0.7 CN(O)C(=O)\C=C\C(O)=O Amb24617596 [0,1,0,0,1,0|2,0,0]=4 514 B9R0.7 CN(\C=C\C(O)=O)C(N)=O Amb25084386 [0,1,0,0,1,0|2,0,0]=4 515 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,1,0,0,1,0|0,0,2]=4 516 B9R0.7 NC(=O)NC=C(F)C(O)=O Amb24065618 [0,1,0,0,1,0|2,0,0]=4 517 B9R0.7 NC(=O)N\C=C(/N)\C(O)=O Amb25113093 [0,1,0,0,1,0|2,0,0]=4 518 B9R0.7 NC(=O)N\C=C(\C(=O)O)/F Amb17614482 [0,1,0,0,1,0|2,0,0]=4 519 B9R0.7 NC(=O)N\C=C(\N)/C(O)=O Amb25174854 [0,1,0,0,1,0|2,0,0]=4 520 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,1,0,0,1,0|1,0,1]=4 521 B9R0.7 OC(=O)C=C=C(C(=O)O)C Amb17593578 [0,1,0,0,1,0|0,0,1]=3 522 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,1,0|0,0,2]=4 523 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,1,0,0,1,0|0,0,2]=4 524 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,1,0,0,1,0|0,0,2]=4 525 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,1,0,0,1,0|0,0,2]=4 526 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,1,0,0,1,0|0,0,2]=4 527 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,1,0|1,0,1]=4 528 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,1,0,0,1,0|0,0,1]=3 529 B9R0.7 OC(=O)\C(\Cl)=C\C=C(Cl)Cl Amb24513601 [0,1,0,0,1,0|2,0,0]=4 530 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [0,1,0,0,1,0|0,0,1]=3 531 B9R0.7 OC(=O)\C=C\C(Cl)=C(Cl)Cl Amb24452138 [0,1,0,0,1,0|2,0,0]=4 532 B9R0.7 OC(=O)\C=C\C(F)=C(F)F Amb24620550 [0,1,0,0,1,0|2,0,0]=4 533 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [0,1,0,0,1,0|0,0,2]=4 534 B9R0.53 CC(=CC(O)=O)NC(N)=O Amb25314556 [0,1,0,0,1,0|2,0,0]=4 535 B9R0.53 CC(=O)C\C(\C)=C\C(O)=O Amb25833580 [0,1,0,0,1,0|1,0,1]=4 536 B9R0.53 CC(=O)\C=C(/C)\CC(O)=O Amb25838743 [0,1,0,0,1,0|1,0,1]=4 537 B9R0.53 CC(=O)\C=C(\C)/CC(O)=O Amb24446679 [0,1,0,0,1,0|1,0,1]=4 538 B9R0.53 CC(C)=C\C(\C)=C\C(O)=O Amb18643547 [0,1,0,0,1,0|2,0,0]=4 539 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [0,1,0,0,1,0|0,0,1]=3 540 B9R0.53 C\C(\O)=C\C(\O)=C/C(O)=O Amb22730578 [0,1,0,0,1,0|1,0,0]=3 541 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [0,1,0,0,1,0|0,0,2]=4 542 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [0,1,0,0,1,0|0,0,1]=3 543 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [0,1,0,0,1,0|0,0,1]=3 544 B9R0.56 OC(=O)\C=C\CP(O)(O)=O Amb24482251 [0,1,0,0,1,0|1,0,1]=4 545 B9R0.56 OC(=O)\C=C\CS(O)(=O)=O Amb25185208 [0,1,0,0,1,0|1,0,1]=4 546 B11R0.6 CC(C)=CC=C\C(\C)=C\C(O)=O Amb25050848 [0,1,0,0,0,1|2,0,0]=4 547 B11R0.85 CC(=O)CNC(=O)\C=C\C(O)=O Amb20407494 [0,1,0,0,0,1|1,0,1]=4 548 B11R0.85 CC(=O)NNC(=O)\C=C\C(O)=O Amb18647578 [0,1,0,0,0,1|2,0,0]=4 549 B11R0.85 OC(=O)\C=C\C(=O)NCC(O)=O Amb19006231 [0,1,0,0,0,1|0,0,1]=3 550 B11R0.111 CC(=O)N\C=C\C=C/C(=O)OC Amb25068618 [0,1,0,0,0,1|1,0,0]=3 551 B11R0.318 C\C(=C\C=CC(C)(C)O)\C(O)=O Amb25179121 [0,2,0,0,0,0|1,0,1]=4 552 B11R0.93 CNC(=O)NC(=O)\C=C\C(O)=O Amb18949371 [0,2,0,0,0,0|2,0,0]=4 553 B11R0.93 OC(=O)\C=C/C(=O)NC(=O)CCl Amb25321992 [0,2,0,0,0,0|2,0,0]=4 554 B11R0.93 OC(=O)\C=C\C(=O)NC(=O)CCl Amb24652484 [0,2,0,0,0,0|2,0,0]=4 555 B11R0.106 CNC(=O)\C=C\C=CC(=O)NC Amb24691148 [0,2,0,0,0,0|2,0,0]=4 556 B11R0.106 CNC(=O)\C=C\C=C\C(=O)NC Amb25258873 [0,2,0,0,0,0|2,0,0]=4 557 B11R0.106 COC(=O)C\C=C\CC(=O)OC Amb17613323 [0,2,0,0,0,0|0,0,2]=4 558 B11R0.106 C\C(=C/C=C/C=C(\C)/C=O)\C=O Amb18646082 [0,2,0,0,0,0|2,0,0]=4 559 B11R0.106 NNC(=O)\C=C\C=CC(=O)NN Amb25139006 [0,2,0,0,0,0|2,0,0]=4 560 B11R0.107 COC(=O)\C=C/C(=O)NC(=O)N Amb16236188 [0,2,0,0,0,0|2,0,0]=4 561 B11R0.109 C\C=C(\C)/C=CC=C(C)C(O)=O Amb24590214 [0,2,0,0,0,0|2,0,0]=4 562 B11R0.145 N\C(=N\O)\C(=O)N\C=C\C(O)=O Amb24634291 [0,2,0,0,0,0|2,0,0]=4 563 B11R0.33 CC(=CC(Cl)=CC(O)=O)C(O)=O Amb24511932 [0,2,0,0,0,0|0,0,0]=2 564 B11R0.33 CC(=CC(N)=O)NC(=O)C(O)=O Amb24612187 [0,2,0,0,0,0|2,0,0]=4 565 B11R0.33 CC(=CC(O)=CC(O)=O)C(O)=O Amb24650889 [0,2,0,0,0,0|0,0,0]=2 566 B11R0.33 CC(C)=CC(=O)C=C(O)C(O)=O Amb25667177 [0,2,0,0,0,0|2,0,0]=4 567 B11R0.33 CC(C)=CC(=O)\C=C(/O)\C(O)=O Amb24647993 [0,2,0,0,0,0|2,0,0]=4 568 B11R0.33 CC(C)=CC(O)=CC(=O)C(O)=O Amb25245292 [0,2,0,0,0,0|2,0,0]=4 569 B11R0.33 C\C(=C\C(\Cl)=C/C(O)=O)\C(O)=O Amb24341553 [0,2,0,0,0,0|0,0,0]=2 570 B11R0.33 C\C(=C\C(\O)=C/C(O)=O)\C(O)=O Amb25264416 [0,2,0,0,0,0|0,0,0]=2 571 B11R0.33 C\C(\C=C(/C)\C(O)=O)=C/C(O)=O Amb18647287 [0,2,0,0,0,0|0,0,0]=2 572 B11R0.33 C\C(\C=C(C)C(O)=O)=C\C(O)=O Amb25326636 [0,2,0,0,0,0|0,0,0]=2 573 B11R0.33 OC(=O)NC(=O)NC(=O)C(O)=O Amb24068958 [0,2,0,0,0,0|2,0,0]=4 574 B11R0.33 OC(=O)\C=C(\Cl)/C=C(/Cl)\C(O)=O Amb25195923 [0,2,0,0,0,0|0,0,0]=2 575 B11R0.33 OC(=O)\C=C(\F)/C=C(/F)\C(O)=O Amb24464897 [0,2,0,0,0,0|0,0,0]=2 576 B11R0.149 CC(=CC(O)=O)C(=O)NC(N)=O Amb24540784 [0,2,0,0,0,0|2,0,0]=4 577 B11R0.149 CC(=CC(O)=O)C(C)=CC(O)=O Amb24519271 [0,2,0,0,0,0|0,0,0]=2 578 B11R0.149 CC(=O)\C=C(/C)\C(\C)=C\C(C)=O Amb25348713 [0,2,0,0,0,0|2,0,0]=4 579 B11R0.149 CC(=O)\C=C(\C)/C(/C)=C\C(C)=O Amb24744580 [0,2,0,0,0,0|2,0,0]=4 580 B11R0.149 CC(=O)\C=C(\O)/C(/O)=C\C(C)=O Amb24588909 [0,2,0,0,0,0|2,0,0]=4 581 B11R0.149 C\C(=C/C(O)=O)\C(\C)=C\C(O)=O Amb24692716 [0,2,0,0,0,0|0,0,0]=2 582 B11R0.149 C\C(=C\C(O)=O)\C(=O)NC(N)=O Amb25320881 [0,2,0,0,0,0|2,0,0]=4 583 B11R0.173 CC(\C=C\C(O)=O)C(=O)C(O)=O Amb21858926 [0,2,0,0,0,0|0,0,1]=3 584 B11R0.173 OC(=O)\C=C/C(/Cl)=C(/Cl)\C(O)=O Amb24579461 [0,2,0,0,0,0|0,0,0]=2 585 B11R0.150 CC(=C\C=C(\C)/C(O)=O)C(O)=O Amb25210693 [0,2,0,0,0,0|0,0,0]=2 586 B11R0.150 C\C(=C/C=C(\O)/C(O)=O)\C(O)=O Amb25261543 [0,2,0,0,0,0|0,0,0]=2 587 B11R0.150 NC(=O)\C(\Cl)=C\C=C(Cl)C(N)=O Amb25292420 [0,2,0,0,0,0|2,0,0]=4 588 B11R0.150 NC(=O)\C(\Cl)=C\C=C(Cl)C(O)=O Amb25324142 [0,2,0,0,0,0|1,0,0]=3 589 B11R0.150 OC(=O)C(=O)NNC(=O)C(O)=O Amb25725072 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.2 C=CC1=CC=CC(=O)N1 Amb24740217 [1,0,0,1,0,0|2,0,0]=4 591 B9R1.2 C=Cc1cccc(c1)O Amb17593228 [1,0,0,1,0,0|2,0,0]=4 592 B9R1.2 N=Cc1cccc(O)c1 Amb25273098 [1,0,0,1,0,0|2,0,0]=4 593 B9R1.2 O=C1C=C(C=CO1)C=O Amb18642160 [1,0,0,1,0,0|2,0,0]=4 594 B9R1.2 O=C1C=CC=C(C=O)N1 Amb19882313 [1,0,0,1,0,0|1,0,0]=3 595 B9R1.2 O=C1C=COC(=C1)C=O Amb24636661 [1,0,0,1,0,0|2,0,0]=4 596 B9R1.2 O=C1NC=CC(C=O)=N1 Amb22499756 [1,0,0,1,0,0|2,0,0]=4 597 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [1,0,0,1,0,0|0,0,2]=4 598 B9R1.2 O=C[C@H]1CC=CC(=O)O1 Amb25309566 [1,0,0,1,0,0|0,0,2]=4 599 B9R1.2 O=Cc1cccc(I)[n]1 Amb24611045 [1,0,0,1,0,0|2,0,0]=4 600 B9R1.2 O=Cc1cccc(c1)Br Amb1232086 [1,0,0,1,0,0|2,0,0]=4 601 B9R1.2 O=Cc1cccc(c1)I Amb1033003 [1,0,0,1,0,0|2,0,0]=4 602 B9R1.2 O=Cc1cccc(c1)O Amb1880871 [1,0,0,1,0,0|1,0,0]=3 603 B9R1.2 O=Cc1cccc(c1)S Amb13952077 [1,0,0,1,0,0|1,1,0]=4 604 B9R1.2 O=Cc1cccc(n1)N Amb16231443 [1,0,0,1,0,0|2,0,0]=4 605 B9R1.2 Oc1cc(C=O)c[n]c1 Amb19895145 [1,0,0,1,0,0|2,0,0]=4 606 B9R1.2 Oc1cccc(C=O)[n]1 Amb20247934 [1,0,0,1,0,0|1,0,0]=3 607 B9R1.6 CC(=O)c1cccc[nH+]1 Amb10552776 [1,0,0,1,0,0|2,0,0]=4 608 B9R1.6 C[13C](=O)c1ccccc1 Amb22337854 [1,0,0,1,0,0|2,0,0]=4 609 B9R1.6 FC(=O)c1ccccc1 Amb10607152 [1,0,0,1,0,0|2,0,0]=4 610 B9R1.6 NC(=O)c1cccc[p]1 Amb25353307 [1,0,0,1,0,0|2,0,0]=4 611 B9R1.6 NC(=O)c1ccccn1 Amb1219876 [1,0,0,1,0,0|2,0,0]=4 612 B9R1.6 N[13C](=O)c1ccccc1 Amb22351604 [1,0,0,1,0,0|2,0,0]=4 613 B9R1.6 O=C(Cl)c1cccc[n]1 Amb22492448 [1,0,0,1,0,0|2,0,0]=4 614 B9R1.6 O=[13C](Cl)[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22054407 [1,0,0,1,0,0|2,0,0]=4 615 B9R1.6 O=[13C](Cl)c1ccccc1 Amb22167795 [1,0,0,1,0,0|2,0,0]=4 616 B9R1.6 OC(=O)C1=CC=CCS1 Amb22831443 [1,0,0,1,0,0|0,1,1]=4 617 B9R1.6 OC(=O)C1=COC=CO1 Amb25305603 [1,0,0,1,0,0|1,0,0]=3 618 B9R1.6 OC(=O)C1C=CC=CN1 Amb24746571 [1,0,0,1,0,0|1,0,1]=4 619 B9R1.6 OC(=O)C1C=CC=CO1 Amb18642363 [1,0,0,1,0,0|0,0,1]=3 620 B9R1.6 OC(=O)C=1CC=CNC1 Amb25293556 [1,0,0,1,0,0|2,0,0]=4 621 B9R1.6 OC(=O)C=1CNC=CC1 Amb25823057 [1,0,0,1,0,0|2,0,0]=4 622 B9R1.6 OC(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22054405 [1,0,0,1,0,0|1,0,0]=3 623 B9R1.6 OC(=O)[13c]1ccccc1 Amb22353371 [1,0,0,1,0,0|1,0,0]=3 624 B9R1.6 OC(=O)c1[n]ccc[n]1 Amb19330380 [1,0,0,1,0,0|2,0,0]=4 625 B9R1.6 OC(=O)c1cc[13cH]cc1 Amb22367544 [1,0,0,1,0,0|1,0,0]=3 626 B9R1.6 OC(=O)c1ccccc1 Amb16232256 [1,0,0,1,0,0|1,0,0]=3 627 B9R1.6 OC(=O)c1ccccc1 Amb1935196 [1,0,0,1,0,0|1,0,0]=3 628 B9R1.6 OC(=O)c1ccccc1 Amb22002523 [1,0,0,1,0,0|1,0,0]=3 629 B9R1.6 OC(=O)c1ccccc1 Amb22279605 [1,0,0,1,0,0|1,0,0]=3 630 B9R1.6 OC(=O)c1ccccc1 Amb22336602 [1,0,0,1,0,0|1,0,0]=3 631 B9R1.6 OC(=O)c1ccccc1 Amb22338105 [1,0,0,1,0,0|1,0,0]=3 632 B9R1.6 OC(=O)c1ccccc1 Amb22351742 [1,0,0,1,0,0|1,0,0]=3 633 B9R1.6 OC(=O)c1ccccc1 Amb22472602 [1,0,0,1,0,0|1,0,0]=3 634 B9R1.6 OC(=O)c1ccccc1 Amb22491636 [1,0,0,1,0,0|1,0,0]=3 635 B9R1.6 OC(=O)c1ccccn1 Amb1227737 [1,0,0,1,0,0|1,0,0]=3 636 B9R1.6 OC(=O)c1cccnc1 Amb1195995 [1,0,0,1,0,0|2,0,0]=4 637 B9R1.6 OC(=O)c1ccncn1 Amb1102414 [1,0,0,1,0,0|2,0,0]=4 638 B9R1.6 OC(=O)c1cnccn1 Amb2455963 [1,0,0,1,0,0|2,0,0]=4 639 B9R1.6 OC(=S)c1ccccc1 Amb17942862 [1,0,0,1,0,0|1,1,0]=4 640 B9R1.6 OP(=O)c1ccccc1 Amb10571098 [1,0,0,1,0,0|2,0,0]=4 641 B9R1.6 OS(=O)c1ccccc1 Amb17939345 [1,0,0,1,0,0|2,0,0]=4 642 B9R1.6 O[12C](=O)[12c]1[12cH][12cH][12cH][12cH][12cH]1 Amb22338193 [1,0,0,1,0,0|1,0,0]=3 643 B9R1.6 O[13C](=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22367547 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.6 O[13C](=O)[13c]1[13cH][13cH][13cH]n[13cH]1 Amb17618353 [1,0,0,1,0,0|2,0,0]=4 645 B9R1.6 O[13C](=O)c1ccccc1 Amb22338753 [1,0,0,1,0,0|1,0,0]=3 646 B9R1.6 O[14C](=O)c1ccccc1 Amb22352700 [1,0,0,1,0,0|1,0,0]=3 647 B9R1.6 [13CH3]C(=O)c1ccccc1 Amb22353264 [1,0,0,1,0,0|2,0,0]=4 648 B9R1.6 [13CH3][13C](=O)c1ccccc1 Amb22366852 [1,0,0,1,0,0|2,0,0]=4 649 B9R1.6 [15NH2]C(=O)c1ccccc1 Amb22366901 [1,0,0,1,0,0|2,0,0]=4 650 B9R1.6 [2H]C(=O)c1ccccc1 Amb22043987 [1,0,0,1,0,0|2,0,0]=4 651 B9R1.6 [2H][13C](=O)c1ccccc1 Amb22369001 [1,0,0,1,0,0|2,0,0]=4 652 B9R1.6 [O-]C(=O)c1cccc[n]1 Amb22058087 [1,0,0,1,0,0|1,0,1]=4 653 B9R1.6 [O-]C(=O)c1cccc[n]1 Amb22411648 [1,0,0,1,0,0|1,0,1]=4 654 B9R1.6 [O-]C(=O)c1cccc[n]1 Amb22734923 [1,0,0,1,0,0|1,0,1]=4 655 B9R1.6 [O-]C(=O)c1ccccc1 Amb22053472 [1,0,0,1,0,0|1,0,1]=4 656 B9R1.6 [O-]C(=O)c1ccccc1 Amb22053705 [1,0,0,1,0,0|1,0,1]=4 657 B9R1.6 [O-]C(=O)c1ccccc1 Amb22167689 [1,0,0,1,0,0|1,0,1]=4 658 B9R1.6 [O-]C(=O)c1ccccc1 Amb22168438 [1,0,0,1,0,0|1,0,1]=4 659 B9R1.6 [O-]C(=O)c1ccccc1 Amb22168439 [1,0,0,1,0,0|1,0,1]=4 660 B9R1.6 [O-]C(=O)c1ccccc1 Amb22351958 [1,0,0,1,0,0|1,0,1]=4 661 B9R1.6 [O-]C(=O)c1ccccc1 Amb22353183 [1,0,0,1,0,0|1,0,1]=4 662 B9R1.6 [O-]C(=O)c1ccccc1 Amb22732264 [1,0,0,1,0,0|1,0,1]=4 663 B9R1.6 [O-]C(=O)c1ccccc1 Amb22732273 [1,0,0,1,0,0|1,0,1]=4 664 B9R1.6 [O-]C(=O)c1ccccc1 Amb22732500 [1,0,0,1,0,0|1,0,1]=4 665 B9R1.6 [O-]C(=O)c1ccccc1 Amb22734002 [1,0,0,1,0,0|1,0,1]=4 666 B9R1.6 [S-]C(=O)c1ccccc1 Amb10555187 [1,0,0,1,0,0|1,1,0]=4 667 B9R1.7 CC\C=C/1\C=CC(=O)O1 Amb25359381 [1,0,0,1,0,0|1,0,1]=4 668 B9R1.7 C\C=C\C1C=CC(=O)O1 Amb25238033 [1,0,0,1,0,0|1,0,1]=4 669 B9R1.7 C\C=C\[C@H]1C=CC(=O)O1 Amb24415319 [1,0,0,1,0,0|1,0,1]=4 670 B9R1.7 Cc1ccc(\C=N/O)o1 Amb25147225 [1,0,0,1,0,0|2,0,0]=4 671 B9R1.7 O=C1C=C\C(=C/C=O)\O1 Amb24334582 [1,0,0,1,0,0|0,0,0]=2 672 B9R1.7 O=C1C=C\C(=C/CBr)\O1 Amb25211667 [1,0,0,1,0,0|1,0,1]=4 673 B9R1.7 O=C1C=C\C(=C\C=O)\O1 Amb24668983 [1,0,0,1,0,0|0,0,0]=2 674 B9R1.7 O=C1C\C(\C=C1)=C\C=S Amb24577808 [1,0,0,1,0,0|1,1,0]=4 675 B9R1.7 O=CCc1ccc(Cl)o1 Amb25174639 [1,0,0,1,0,0|1,0,1]=4 676 B9R1.7 O=COC1C=CC(=O)O1 Amb25201503 [1,0,0,1,0,0|1,0,1]=4 677 B9R1.7 OC\C=C\1/C=CC(=O)O1 Amb25801971 [1,0,0,1,0,0|0,0,1]=3 678 B9R1.7 O\N=C\c1ccc(o1)Br Amb2387512 [1,0,0,1,0,0|2,0,0]=4 679 B9R1.7 O\N=C\c1ccc(o1)I Amb16239327 [1,0,0,1,0,0|2,0,0]=4 680 B9R1.9 O=C\C=C\C1CC(=O)O1 Amb24432226 [1,0,0,1,0,0|0,0,2]=4 681 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [1,0,0,1,0,0|2,0,0]=4 682 B9R1.13 CC(=O)Sc1ccco1 Amb24511658 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.13 ClC(Cl)=Cc1ccco1 Amb24559898 [1,0,0,1,0,0|2,0,0]=4 684 B9R1.13 F\C(\Cl)=C\c1ccco1 Amb24665869 [1,0,0,1,0,0|2,0,0]=4 685 B9R1.13 NC(=O)Cc1ccco1 Amb24534382 [1,0,0,1,0,0|1,0,1]=4 686 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [1,0,0,1,0,0|1,0,1]=4 687 B9R1.13 O=C(Cl)Oc1ccco1 Amb25258766 [1,0,0,1,0,0|2,0,0]=4 688 B9R1.13 OC(=O)Cc1[cH-]ccc1 Amb24122585 [1,0,0,1,0,0|1,0,1]=4 689 B9R1.13 OC(=O)Sc1ccco1 Amb24695916 [1,0,0,1,0,0|1,0,0]=3 690 B9R1.41 CC(=O)c1[nH]ccc1O Amb25837329 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.41 CC(=O)c1[s]ccc1O Amb18202590 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.41 CC(=O)c1c[s]cc1O Amb24662074 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.41 CC=1C=CCC1C(O)=O Amb24358734 [1,0,0,1,0,0|1,0,1]=4 694 B9R1.41 CC=1CC=CC1C(O)=O Amb25145525 [1,0,0,1,0,0|1,0,1]=4 695 B9R1.41 C\C(\O)=C/1\OC=CC1=O Amb25686104 [1,0,0,1,0,0|2,0,0]=4 696 B9R1.41 C\C(\O)=C/1\SC=CC1=O Amb24340198 [1,0,0,1,0,0|2,0,0]=4 697 B9R1.41 Cc1c[s]cc1C(O)=O Amb20240802 [1,0,0,1,0,0|2,0,0]=4 698 B9R1.41 Cc1cc[nH]c1C(O)=O Amb22491226 [1,0,0,1,0,0|2,0,0]=4 699 B9R1.41 Cc1cocc1C(O)=O Amb22886569 [1,0,0,1,0,0|2,0,0]=4 700 B9R1.41 Cc1occc1C(=O)O Amb1102055 [1,0,0,1,0,0|2,0,0]=4 701 B9R1.41 Cc1sccc1C(=O)O Amb2447618 [1,0,0,1,0,0|2,0,0]=4 702 B9R1.41 NC(=O)c1sccc1O Amb1398894 [1,0,0,1,0,0|2,0,0]=4 703 B9R1.41 Nc1cc[s]c1C(O)=O Amb19888389 [1,0,0,1,0,0|2,0,0]=4 704 B9R1.41 Nc1ccoc1C(O)=O Amb18832709 [1,0,0,1,0,0|2,0,0]=4 705 B9R1.41 Nc1cocc1C(O)=O Amb25180110 [1,0,0,1,0,0|2,0,0]=4 706 B9R1.41 Nc1cscc1C(=O)O Amb10071408 [1,0,0,1,0,0|2,0,0]=4 707 B9R1.41 Nc1occc1C(O)=O Amb24481891 [1,0,0,1,0,0|2,0,0]=4 708 B9R1.41 OC(=O)C1=CC=CS1O Amb25825290 [1,0,0,1,0,0|1,0,0]=3 709 B9R1.41 OC(=O)C1=CCOC1=O Amb24540268 [1,0,0,1,0,0|1,0,1]=4 710 B9R1.41 OC(=O)C1=CONC1=O Amb18832582 [1,0,0,1,0,0|2,0,0]=4 711 B9R1.41 OC(=O)C1=CSNC1=O Amb18124713 [1,0,0,1,0,0|2,0,0]=4 712 B9R1.41 OC(=O)c1[n]cc[n]1O Amb25042752 [1,0,0,1,0,0|2,0,0]=4 713 B9R1.41 OC(=O)c1c[nH]cc1Cl Amb18202360 [1,0,0,1,0,0|2,0,0]=4 714 B9R1.41 OC(=O)c1c[s]cc1S Amb18126245 [1,0,0,1,0,0|1,1,0]=4 715 B9R1.41 OC(=O)c1cc[s]c1I Amb24741705 [1,0,0,1,0,0|2,0,0]=4 716 B9R1.41 OC(=O)c1cccn1C Amb1151288 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.41 OC(=O)c1ccoc1Cl Amb25731243 [1,0,0,1,0,0|2,0,0]=4 718 B9R1.41 OC(=O)c1ccsc1Cl Amb10576176 [1,0,0,1,0,0|2,0,0]=4 719 B9R1.41 OC(=O)c1cocc1Cl Amb18202241 [1,0,0,1,0,0|2,0,0]=4 720 B9R1.41 OC(=O)c1cscc1Br Amb2447458 [1,0,0,1,0,0|2,0,0]=4 721 B9R1.41 OC(=O)c1occc1C Amb1156943 [1,0,0,1,0,0|2,0,0]=4 722 B9R1.41 OC(=O)c1occc1Cl Amb18202245 [1,0,0,1,0,0|2,0,0]=4 723 B9R1.41 OC(=O)c1sccc1O Amb10069920 [1,0,0,1,0,0|1,0,0]=3 724 B9R1.41 OC(=O)c1sccc1S Amb2405731 [1,0,0,1,0,0|1,1,0]=4 725 B9R1.41 Oc1[n]c[nH]c1C(O)=O Amb18203249 [1,0,0,1,0,0|2,0,0]=4 726 B9R1.41 Oc1c[s][n]c1C(O)=O Amb24062138 [1,0,0,1,0,0|2,0,0]=4 727 B9R1.41 Oc1c[s]cc1C(O)=O Amb18124673 [1,0,0,1,0,0|1,0,0]=3 728 B9R1.41 Oc1cc[nH]c1C(O)=O Amb24387128 [1,0,0,1,0,0|1,0,0]=3 729 B9R1.41 Oc1co[n]c1C(O)=O Amb22055438 [1,0,0,1,0,0|2,0,0]=4 730 B9R1.48 NC1=CC(=O)C=CC=C1 Amb24683732 [1,0,0,1,0,0|2,0,0]=4 731 B9R1.48 OC1=CC(=O)C=CC=C1 Amb25134319 [1,0,0,1,0,0|1,0,0]=3 732 B9R1.48 OC1C=CC=CC(=O)N1 Amb25366998 [1,0,0,1,0,0|1,0,1]=4 733 B9R1.48 OC=1CC(=O)C=CCC1 Amb25263138 [1,0,0,1,0,0|1,0,1]=4 734 B9R1.48 OC=1CC(=O)CC=CC1 Amb25735821 [1,0,0,1,0,0|1,0,1]=4 735 B9R1.50 O=C1C=CC=CC=CN1 Amb24617546 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.50 O=C1CC=CC=CC=C1 Amb22365146 [1,0,0,1,0,0|2,0,0]=4 737 B9R1.35 BrC(=O)c1ccc(Br)o1 Amb17939056 [0,0,0,1,1,0|2,0,0]=4 738 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,0,0,1,1,0|2,0,0]=4 739 B9R1.35 CC(=O)c1ccc(Cl)o1 Amb24476595 [0,0,0,1,1,0|2,0,0]=4 740 B9R1.35 CC(=O)c1ccc(F)o1 Amb24569531 [0,0,0,1,1,0|2,0,0]=4 741 B9R1.35 CC(=O)c1ccc(I)o1 Amb24678169 [0,0,0,1,1,0|2,0,0]=4 742 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,0,0,1,1,0|2,0,0]=4 743 B9R1.35 CC(=O)c1ccc(S)o1 Amb25376412 [0,0,0,1,1,0|1,1,0]=4 744 B9R1.35 CC(C)=C1C=CC(=O)O1 Amb25663354 [0,0,0,1,1,0|2,0,0]=4 745 B9R1.35 Cc1c[n]c(o1)C(O)=O Amb18832708 [0,0,0,1,1,0|2,0,0]=4 746 B9R1.35 Cc1ccc(o1)C(=O)C Amb1154368 [0,0,0,1,1,0|2,0,0]=4 747 B9R1.35 Cc1ccc(s1)C(=O)O Amb1157149 [0,0,0,1,1,0|1,1,0]=4 748 B9R1.35 Cc1ncc(o1)C(=O)O Amb17399815 [0,0,0,1,1,0|2,0,0]=4 749 B9R1.35 NC(=O)c1ccc(S)o1 Amb24093660 [0,0,0,1,1,0|1,1,0]=4 750 B9R1.35 Nc1[n]cc(o1)C(O)=O Amb19959202 [0,0,0,1,1,0|2,0,0]=4 751 B9R1.35 Nc1ccc([nH]1)C(O)=O Amb21963287 [0,0,0,1,1,0|2,0,0]=4 752 B9R1.35 Nc1ccc([nH]1)C(O)=O Amb22899764 [0,0,0,1,1,0|2,0,0]=4 753 B9R1.35 Nc1ccc([s]1)C(O)=O Amb18831593 [0,0,0,1,1,0|1,1,0]=4 754 B9R1.35 Nc1ccc(o1)C(N)=O Amb18107255 [0,0,0,1,1,0|2,0,0]=4 755 B9R1.35 Nc1ccc(o1)C(O)=O Amb18946756 [0,0,0,1,1,0|1,0,0]=3 756 B9R1.35 O=C(I)c1ccc(Br)o1 Amb25180066 [0,0,0,1,1,0|2,0,0]=4 757 B9R1.35 O=C1NC=C(O1)C(=O)Cl Amb24400990 [0,0,0,1,1,0|2,0,0]=4 758 B9R1.35 OC(=O)C1=CNC(=O)N1 Amb18278248 [0,0,0,1,1,0|2,0,0]=4 759 B9R1.35 OC(=O)C=1CC(=O)NC1 Amb18832707 [0,0,0,1,1,0|2,0,0]=4 760 B9R1.35 OC(=O)[C@@H]1C=CC(=O)N1 Amb25140391 [0,0,0,1,1,0|1,0,1]=4 761 B9R1.35 OC(=O)c1[n]cc(Cl)o1 Amb25208596 [0,0,0,1,1,0|2,0,0]=4 762 B9R1.35 OC(=O)c1c[nH]c(=O)[nH]1 Amb1208380 [0,0,0,1,1,0|2,0,0]=4 763 B9R1.35 OC(=O)c1c[nH]c(=O)[s]1 Amb24084921 [0,0,0,1,1,0|1,1,0]=4 764 B9R1.35 OC(=O)c1c[n]c(Br)o1 Amb19958445 [0,0,0,1,1,0|2,0,0]=4 765 B9R1.35 OC(=O)c1c[n]c(Br)o1 Amb22432570 [0,0,0,1,1,0|2,0,0]=4 766 B9R1.35 OC(=O)c1ccc(Br)[nH]1 Amb21857063 [0,0,0,1,1,0|2,0,0]=4 767 B9R1.35 OC(=O)c1ccc(F)o1 Amb23538033 [0,0,0,1,1,0|1,0,0]=3 768 B9R1.35 OC(=O)c1ccc(I)[nH]1 Amb22498191 [0,0,0,1,1,0|2,0,0]=4 769 B9R1.35 OC(=O)c1ccc(I)[s]1 Amb22002319 [0,0,0,1,1,0|1,1,0]=4 770 B9R1.35 OC(=O)c1ccc(S)o1 Amb18279728 [0,0,0,1,1,0|0,1,0]=3 771 B9R1.35 OC(=O)c1ccc(o1)Cl Amb1107530 [0,0,0,1,1,0|1,0,0]=3 772 B9R1.35 OC(=O)c1ccc(o1)I Amb2459665 [0,0,0,1,1,0|1,0,0]=3 773 B9R1.35 OC(=O)c1ccc(s1)Cl Amb1152956 [0,0,0,1,1,0|1,1,0]=4 774 B9R1.35 Oc1[n]c(co1)C(O)=O Amb24481698 [0,0,0,1,1,0|2,0,0]=4 775 B9R1.35 Oc1[n]cc(o1)C(O)=O Amb25178101 [0,0,0,1,1,0|1,0,1]=4 776 B9R1.35 Oc1c[nH]c(c1)C(O)=O Amb24649356 [0,0,0,1,1,0|2,0,0]=4 777 B9R1.35 Oc1c[n]c(o1)C(O)=O Amb25145621 [0,0,0,1,1,0|1,0,1]=4 778 B9R1.35 Oc1ccc(o1)C(O)=O Amb18946939 [0,0,0,1,1,0|0,0,1]=3 779 B9R1.35 Oc1coc([n]1)C(O)=O Amb25243276 [0,0,0,1,1,0|2,0,0]=4 780 B9R1.35 [O-]C(=O)c1ccc(o1)I Amb2459790 [0,0,0,1,1,0|1,0,1]=4 781 B9R1.49 OC1=CC=CC(=O)C=C1 Amb18048395 [0,0,0,1,1,0|2,0,0]=4 782 B9R1.53 OC(=O)\C=C/1\CC(=O)N1 Amb25845188 [0,0,0,1,1,0|1,0,1]=4 783 B9R1.161 CC(=O)N1C=C1C(O)=O Amb25285793 [0,0,0,1,1,0|2,0,0]=4 784 B11R1.75 CC(=O)C\C=C/1\CC(=O)C=C1 Amb25282699 [0,0,0,1,0,1|2,0,0]=4 785 B11R1.75 CC(=O)C\C=C\1/CC(=O)C=C1 Amb24422363 [0,0,0,1,0,1|2,0,0]=4 786 B11R1.75 CC(=O)\C=C\c1ccc(Br)o1 Amb25830508 [0,0,0,1,0,1|2,0,0]=4 787 B11R1.75 Cc1[n][n]c(\C=C\C(O)=O)o1 Amb18065407 [0,0,0,1,0,1|2,0,0]=4 788 B11R1.75 Cc1[n]cc(\C=C\C(O)=O)[s]1 Amb18255512 [0,0,0,1,0,1|1,1,0]=4 789 B11R1.75 Cc1[n]cc(\C=C\C(O)=O)o1 Amb24566781 [0,0,0,1,0,1|1,0,0]=3 790 B11R1.75 Cc1c[n]c(\C=C\C(O)=O)[s]1 Amb24626453 [0,0,0,1,0,1|1,1,0]=4 791 B11R1.75 Cc1cc(\C=C\C(O)=O)[s]c1 Amb25027892 [0,0,0,1,0,1|2,0,0]=4 792 B11R1.75 Cc1cc(\C=C\C(O)=O)c[s]1 Amb25300336 [0,0,0,1,0,1|2,0,0]=4 793 B11R1.75 Cc1ccc(C#CC(O)=O)o1 Amb25361971 [0,0,0,1,0,1|1,0,1]=4 794 B11R1.75 Cc1ccc(\C=C\C(O)=O)[nH]1 Amb25048467 [0,0,0,1,0,1|2,0,0]=4 795 B11R1.75 Cc1ccc(o1)\C=C\C(=O)Cl Amb16230249 [0,0,0,1,0,1|2,0,0]=4 796 B11R1.75 NC(=O)\C=C\c1ccc(I)o1 Amb25051573 [0,0,0,1,0,1|2,0,0]=4 797 B11R1.75 OC(=O)C#Cc1ccc(Cl)o1 Amb25320978 [0,0,0,1,0,1|1,0,1]=4 798 B11R1.75 OC(=O)CCc1ccc(S)o1 Amb24519112 [0,0,0,1,0,1|0,1,1]=4 799 B11R1.75 OC(=O)\C=C/C1COC(=O)O1 Amb25858098 [0,0,0,1,0,1|0,0,2]=4 800 B11R1.75 OC(=O)\C=C/C=1NC(=O)NN1 Amb21973583 [0,0,0,1,0,1|2,0,0]=4 801 B11R1.75 OC(=O)\C=C/N1C=CC(=O)N1 Amb24696321 [0,0,0,1,0,1|1,0,0]=3 802 B11R1.75 OC(=O)\C=C/c1cc(cs1)Br Amb10069468 [0,0,0,1,0,1|2,0,0]=4 803 B11R1.75 OC(=O)\C=C\C1=CC(=O)NO1 Amb24648761 [0,0,0,1,0,1|2,0,0]=4 804 B11R1.75 OC(=O)\C=C\C1=CNC(=S)N1 Amb24726371 [0,0,0,1,0,1|1,1,0]=4 805 B11R1.75 OC(=O)\C=C\C1=NC(=O)C=N1 Amb24652564 [0,0,0,1,0,1|1,0,0]=3 806 B11R1.75 OC(=O)\C=C\C1COC(=O)O1 Amb24519254 [0,0,0,1,0,1|0,0,2]=4 807 B11R1.75 OC(=O)\C=C\C=1CC(=O)NN1 Amb25149210 [0,0,0,1,0,1|2,0,0]=4 808 B11R1.75 OC(=O)\C=C\c1[n]cc(I)[s]1 Amb24501805 [0,0,0,1,0,1|1,1,0]=4 809 B11R1.75 OC(=O)\C=C\c1cc(Br)co1 Amb24532986 [0,0,0,1,0,1|2,0,0]=4 810 B11R1.75 OC(=O)\C=C\c1cc(Cl)c[s]1 Amb23441687 [0,0,0,1,0,1|2,0,0]=4 811 B11R1.75 OC(=O)\C=C\c1cc(Cl)co1 Amb18126977 [0,0,0,1,0,1|2,0,0]=4 812 B11R1.75 OC(=O)\C=C\c1ccc(o1)Br Amb1102780 [0,0,0,1,0,1|1,0,0]=3 813 B11R1.75 OC(=O)\C=C\c1ccc(o1)Cl Amb1107531 [0,0,0,1,0,1|1,0,0]=3 814 B11R1.75 OC(=O)\C=C\c1ccc(o1)I Amb1102794 [0,0,0,1,0,1|1,0,0]=3 815 B11R1.75 OC(=O)\C=C\c1csc(c1)Br Amb1111483 [0,0,0,1,0,1|2,0,0]=4 816 B11R1.75 Oc1[nH][n]c(\C=C/C(O)=O)[n]1 Amb19737359 [0,0,0,1,0,1|2,0,0]=4 817 B11R1.75 Oc1[n][nH]c(\C=C\C(O)=O)[n]1 Amb22361935 [0,0,0,1,0,1|2,0,0]=4 818 B11R1.157 CC(=O)Cc1cccc(c1)O Amb16192704 [0,0,0,1,0,1|2,0,0]=4 819 B11R1.157 CC(=O)Nc1cccc(c1)O Amb1208498 [0,0,0,1,0,1|2,0,0]=4 820 B11R1.157 Cc1cccc(n1)CC(=O)O Amb17617788 [0,0,0,1,0,1|2,0,0]=4 821 B11R1.157 NC(=O)CC1=CC=CC(=O)N1 Amb25174273 [0,0,0,1,0,1|2,0,0]=4 822 B11R1.157 Nc1cc(CC(O)=O)ccc1 Amb19373490 [0,0,0,1,0,1|2,0,0]=4 823 B11R1.157 Nc1cccc(CC(O)=O)[n]1 Amb22011865 [0,0,0,1,0,1|2,0,0]=4 824 B11R1.157 OC(=O)CC1=CN=CC(=O)N1 Amb18200849 [0,0,0,1,0,1|1,0,1]=4 825 B11R1.157 OC(=O)Cc1cccc(Br)[n]1 Amb22494936 [0,0,0,1,0,1|2,0,0]=4 826 B11R1.157 OC(=O)Cc1cccc(F)[n]1 Amb20247874 [0,0,0,1,0,1|2,0,0]=4 827 B11R1.157 OC(=O)Cc1cccc(c1)Br Amb1134647 [0,0,0,1,0,1|2,0,0]=4 828 B11R1.157 OC(=O)Cc1cccc(n1)Br Amb13883482 [0,0,0,1,0,1|2,0,0]=4 829 B11R1.157 OC(=O)Cc1cccc(n1)Cl Amb10976127 [0,0,0,1,0,1|2,0,0]=4 830 B11R1.157 Oc1[n]c(CC(O)=O)cc[n]1 Amb18200881 [0,0,0,1,0,1|1,0,1]=4 831 B11R1.157 Oc1cc(CC(=O)Cl)ccc1 Amb18177959 [0,0,0,1,0,1|2,0,0]=4 832 B11R1.157 Oc1cc[n]c(CC(O)=O)[n]1 Amb18862504 [0,0,0,1,0,1|1,0,1]=4 833 B11R1.157 Oc1cc[n]c(CC(O)=O)c1 Amb25320721 [0,0,0,1,0,1|1,0,1]=4 834 B11R1.157 Oc1cccc(CC(O)=O)[n]1 Amb20247884 [0,0,0,1,0,1|1,0,0]=3 835 B11R1.177 OC(=O)C1C=CC=CC1(O)F Amb25061297 [0,0,0,1,0,1|1,0,1]=4 836 B11R1.177 OC(=O)C1C=CC=CC1(O)O Amb24429100 [0,0,0,1,0,1|0,0,2]=4 837 B11R1.178 CC(=O)C/1=CC=C\C1=C(\C)/O Amb24485987 [0,0,0,1,0,1|2,0,0]=4 838 B11R1.178 CC(=O)[n]1cccc1C(O)=O Amb25218296 [0,0,0,1,0,1|1,0,0]=3 839 B11R1.178 CC(=O)c1[nH][n]cc1C(O)=O Amb18200852 [0,0,0,1,0,1|2,0,0]=4 840 B11R1.178 CC(=O)c1[n][s]cc1C(O)=O Amb24079657 [0,0,0,1,0,1|2,0,0]=4 841 B11R1.178 CC(=O)c1[n]c[nH]c1C(O)=O Amb25800823 [0,0,0,1,0,1|2,0,0]=4 842 B11R1.178 CC(=O)c1[n]occ1C(O)=O Amb18830932 [0,0,0,1,0,1|2,0,0]=4 843 B11R1.178 CC(=O)c1[s]c[n]c1C(O)=O Amb18687215 [0,0,0,1,0,1|2,0,0]=4 844 B11R1.178 CC(=O)c1[s]ccc1C(O)=O Amb18126671 [0,0,0,1,0,1|1,0,0]=3 845 B11R1.178 CC(=O)c1c[nH]cc1C(C)=O Amb22363701 [0,0,0,1,0,1|2,0,0]=4 846 B11R1.178 CC(=O)c1c[s]cc1C(O)=O Amb25060748 [0,0,0,1,0,1|1,0,0]=3 847 B11R1.178 CC(=O)c1cc[nH]c1C(N)=O Amb24355955 [0,0,0,1,0,1|2,0,0]=4 848 B11R1.178 CC(=O)c1cc[nH]c1C(O)=O Amb23440687 [0,0,0,1,0,1|1,0,0]=3 849 B11R1.178 CC(=O)c1cc[s]c1C(N)=O Amb24387464 [0,0,0,1,0,1|2,0,0]=4 850 B11R1.178 CC(=O)c1ccoc1C(O)=O Amb24652536 [0,0,0,1,0,1|1,0,0]=3 851 B11R1.178 CC(=O)c1cocc1C(C)=O Amb24415262 [0,0,0,1,0,1|2,0,0]=4 852 B11R1.178 CC(=O)c1ncsc1C(=O)O Amb17156970 [0,0,0,1,0,1|2,0,0]=4 853 B11R1.178 CC(=O)c1o[n]cc1C(O)=O Amb18830931 [0,0,0,1,0,1|2,0,0]=4 854 B11R1.178 CC(=O)c1occc1C(C)=O Amb24456595 [0,0,0,1,0,1|2,0,0]=4 855 B11R1.178 CC(=O)c1occc1C(N)=O Amb24078766 [0,0,0,1,0,1|2,0,0]=4 856 B11R1.178 CC(=O)c1occc1C(O)=O Amb18200885 [0,0,0,1,0,1|1,0,0]=3 857 B11R1.178 CC(O)c1[s]ccc1C(O)=O Amb25201543 [0,0,0,1,0,1|1,0,1]=4 858 B11R1.178 CC(O)c1cc[s]c1C(O)=O Amb24677830 [0,0,0,1,0,1|1,0,1]=4 859 B11R1.178 CC(O)c1occc1C(O)=O Amb24377837 [0,0,0,1,0,1|1,0,1]=4 860 B11R1.178 CS(=O)c1c[s]cc1C(O)=O Amb25310935 [0,0,0,1,0,1|2,0,0]=4 861 B11R1.178 NC(=O)c1[n][s]cc1C(O)=O Amb25342714 [0,0,0,1,0,1|2,0,0]=4 862 B11R1.178 NC(=O)c1[n]c[nH]c1C(O)=O Amb24758306 [0,0,0,1,0,1|2,0,0]=4 863 B11R1.178 NC(=O)c1c[nH]cc1C(O)=O Amb25242314 [0,0,0,1,0,1|1,0,0]=3 864 B11R1.178 NC(=O)c1c[s]cc1C(N)=O Amb25100975 [0,0,0,1,0,1|2,0,0]=4 865 B11R1.178 NC(=O)c1c[s]cc1C(O)=O Amb24742062 [0,0,0,1,0,1|1,0,0]=3 866 B11R1.178 NC(=O)c1cc[s]c1C(O)=O Amb25321990 [0,0,0,1,0,1|1,0,0]=3 867 B11R1.178 NC(=O)c1ccoc1C(O)=O Amb24487809 [0,0,0,1,0,1|1,0,0]=3 868 B11R1.178 NC(=O)c1cocc1C(N)=O Amb25100722 [0,0,0,1,0,1|2,0,0]=4 869 B11R1.178 NC(=O)c1cocc1C(O)=O Amb24677731 [0,0,0,1,0,1|1,0,0]=3 870 B11R1.178 O=C(Cl)c1[s]ccc1C(=O)Cl Amb24060967 [0,0,0,1,0,1|2,0,0]=4 871 B11R1.178 O=C(Cl)c1c[nH]cc1C(=O)Cl Amb24729555 [0,0,0,1,0,1|2,0,0]=4 872 B11R1.178 O=C(Cl)c1c[s]cc1C(=O)Cl Amb24061652 [0,0,0,1,0,1|2,0,0]=4 873 B11R1.178 O=C(Cl)c1cocc1C(=O)Cl Amb24061624 [0,0,0,1,0,1|2,0,0]=4 874 B11R1.178 O=C(Cl)c1occc1C(=O)Cl Amb24060958 [0,0,0,1,0,1|2,0,0]=4 875 B11R1.178 OB(c1occc1C(=O)O)O Amb13890341 [0,0,0,1,0,1|1,0,1]=4 876 B11R1.178 OC(=O)C1=C(N=S=N1)C(O)=O Amb17760415 [0,0,0,1,0,1|2,0,0]=4 877 B11R1.178 OC(=O)C1=CCCC1C(O)=O Amb24358007 [0,0,0,1,0,1|0,0,2]=4 878 B11R1.178 OC(=O)C=1COCC1C(O)=O Amb22356371 [0,0,0,1,0,1|0,0,2]=4 879 B11R1.178 OC(=O)C=1CSCC1C(O)=O Amb18647803 [0,0,0,1,0,1|0,0,2]=4 880 B11R1.178 OC(=O)C=1SCCC1C(O)=O Amb18647805 [0,0,0,1,0,1|0,0,2]=4 881 B11R1.178 OC(=O)[C@H]1CC=C[C@@H]1C(O)=O Amb24551403 [0,0,0,1,0,1|0,0,2]=4 882 B11R1.178 OC(=O)[n]1[n]ccc1C(O)=O Amb24089096 [0,0,0,1,0,1|1,0,0]=3 883 B11R1.178 OC(=O)c1[nH]ccc1C(=O)O Amb17619732 [0,0,0,1,0,1|0,0,0]=2 884 B11R1.178 OC(=O)c1[nH]cnc1C(=O)O Amb1018078 [0,0,0,1,0,1|1,0,0]=3 885 B11R1.178 OC(=O)c1[nH]nnc1C(=O)O Amb1085905 [0,0,0,1,0,1|2,0,0]=4 886 B11R1.178 OC(=O)c1[n][nH]cc1N(O)=O Amb21965460 [0,0,0,1,0,1|2,0,0]=4 887 B11R1.178 OC(=O)c1[n]c[nH]c1S(O)=O Amb25829521 [0,0,0,1,0,1|2,0,0]=4 888 B11R1.178 OC(=O)c1[n]c[s]c1C(O)=O Amb23441216 [0,0,0,1,0,1|1,0,0]=3 889 B11R1.178 OC(=O)c1[s][n][n]c1C(O)=O Amb18825263 [0,0,0,1,0,1|2,0,0]=4 890 B11R1.178 OC(=O)c1c[nH]cc1C(=O)O Amb10610305 [0,0,0,1,0,1|0,0,0]=2 891 B11R1.178 OC(=O)c1c[nH]cc1S(O)=O Amb24743820 [0,0,0,1,0,1|1,0,0]=3 892 B11R1.178 OC(=O)c1c[n][nH]c1C(O)=O Amb22494364 [0,0,0,1,0,1|1,0,0]=3 893 B11R1.178 OC(=O)c1c[s][n]c1C(O)=O Amb25676797 [0,0,0,1,0,1|1,0,0]=3 894 B11R1.178 OC(=O)c1co[n]c1C(O)=O Amb24061633 [0,0,0,1,0,1|1,0,0]=3 895 B11R1.178 OC(=O)c1cscc1C(=O)O Amb2447537 [0,0,0,1,0,1|0,0,0]=2 896 B11R1.497 CC(=O)C1=CC=CCC(=O)N1 Amb25707861 [0,0,0,1,0,1|2,0,0]=4 897 B11R1.497 CC(=O)C=1CC(=O)NC=CC1 Amb24485992 [0,0,0,1,0,1|2,0,0]=4 898 B11R1.155 Oc1cccc(c1)S(=O)(=O)O Amb10071358 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.20 OC(=O)CC=1C=CC(=O)NC1 Amb18024214 [0,1,0,1,0,0|1,0,1]=4 900 B11R1.20 OC(=O)CC=1C=CC(=O)NN1 Amb18211856 [0,1,0,1,0,0|1,0,1]=4 901 B11R1.20 OC(=O)Cc1ccc(cc1)O Amb1214964 [0,1,0,1,0,0|1,0,1]=4 902 B11R1.23 BrCC(=O)c1cccc(c1)O Amb1981340 [0,1,0,1,0,0|2,0,0]=4 903 B11R1.23 C=CC(=O)c1cccc(O)c1 Amb18124877 [0,1,0,1,0,0|2,0,0]=4 904 B11R1.23 CNC(=O)c1cccc(=O)[nH]1 Amb24096727 [0,1,0,1,0,0|2,0,0]=4 905 B11R1.23 COC(=N)c1cccc(O)c1 Amb18179386 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.23 COC(=O)C1=CC(=O)C=CS1 Amb25348661 [0,1,0,1,0,0|2,0,0]=4 907 B11R1.23 COC(=O)C1=CC(=O)NC=C1 Amb19895329 [0,1,0,1,0,0|2,0,0]=4 908 B11R1.23 COC(=O)C1=CC=CC(=O)N1 Amb21963502 [0,1,0,1,0,0|1,0,0]=3 909 B11R1.23 COC(=O)C=1C=CNC(=O)N1 Amb22275937 [0,1,0,1,0,0|2,0,0]=4 910 B11R1.23 COC(=O)c1[n]ccc(=O)o1 Amb24096201 [0,1,0,1,0,0|1,0,0]=3 911 B11R1.23 COC(=O)c1c[n]cc(O)[n]1 Amb18125640 [0,1,0,1,0,0|2,0,0]=4 912 B11R1.23 COC(=O)c1cc(O)cc[n]1 Amb22754537 [0,1,0,1,0,0|2,0,0]=4 913 B11R1.23 COC(=O)c1cc(O)ccn1 Amb10603787 [0,1,0,1,0,0|2,0,0]=4 914 B11R1.23 COC(=O)c1cc[n]c(O)c1 Amb22741052 [0,1,0,1,0,0|2,0,0]=4 915 B11R1.23 COC(=O)c1cccc(N)c1 Amb22001392 [0,1,0,1,0,0|2,0,0]=4 916 B11R1.23 COC(=O)c1cccc(c1)S Amb17617595 [0,1,0,1,0,0|1,1,0]=4 917 B11R1.23 COC(=O)c1cccc(n1)Cl Amb1197599 [0,1,0,1,0,0|2,0,0]=4 918 B11R1.23 COC(=O)c1cccc(n1)F Amb16231928 [0,1,0,1,0,0|2,0,0]=4 919 B11R1.23 COC(=O)c1cncc(O)c1 Amb17739876 [0,1,0,1,0,0|2,0,0]=4 920 B11R1.23 Cc1cc(ccc1)C(=O)CO Amb18182731 [0,1,0,1,0,0|2,0,0]=4 921 B11R1.23 NCC(=O)c1cccc(c1)O Amb17593761 [0,1,0,1,0,0|2,0,0]=4 922 B11R1.23 NNC(=O)c1cccc(c1)O Amb1208719 [0,1,0,1,0,0|2,0,0]=4 923 B11R1.23 N\C(=N\O)\c1cc(O)ccc1 Amb22044213 [0,1,0,1,0,0|2,0,0]=4 924 B11R1.23 Nc1cc(ccc1)C(=O)CO Amb24630822 [0,1,0,1,0,0|2,0,0]=4 925 B11R1.23 Nc1cc(ccc1)C(=O)NO Amb24729125 [0,1,0,1,0,0|2,0,0]=4 926 B11R1.23 OCC(=O)c1cccc(Br)[n]1 Amb24448164 [0,1,0,1,0,0|2,0,0]=4 927 B11R1.23 OCC(=O)c1cccc(Br)c1 Amb24579747 [0,1,0,1,0,0|2,0,0]=4 928 B11R1.23 OCC(=O)c1cccc(Cl)c1 Amb18185666 [0,1,0,1,0,0|2,0,0]=4 929 B11R1.23 OCC(=O)c1cccc(F)c1 Amb18182894 [0,1,0,1,0,0|2,0,0]=4 930 B11R1.23 ONC(=O)c1cccc(Cl)[n]1 Amb25187424 [0,1,0,1,0,0|2,0,0]=4 931 B11R1.23 O\C=C(\O)/c1cc(O)ccc1 Amb24606550 [0,1,0,1,0,0|1,0,1]=4 932 B11R1.23 Oc1cc(ccc1)C(=O)C=O Amb18125054 [0,1,0,1,0,0|1,0,1]=4 933 B11R1.23 Oc1cc(ccc1)C(=O)CCl Amb18126733 [0,1,0,1,0,0|2,0,0]=4 934 B11R1.23 Oc1cc(ccc1)C(=O)CO Amb24334804 [0,1,0,1,0,0|1,0,0]=3 935 B11R1.23 Oc1cc(ccc1)C(=O)OF Amb25334914 [0,1,0,1,0,0|1,0,0]=3 936 B11R1.23 Oc1cc(ccc1)\C(\Cl)=N/O Amb24518510 [0,1,0,1,0,0|2,0,0]=4 937 B11R1.23 Oc1cc(ccc1)\C(\S)=N\O Amb24486454 [0,1,0,1,0,0|1,1,0]=4 938 B11R1.23 [Na]OC(=O)c1cccc(c1)I Amb10564565 [0,1,0,1,0,0|2,0,0]=4 939 B11R1.39 COC(=O)CC1C=CC(=O)O1 Amb24066588 [0,1,0,1,0,0|0,0,2]=4 940 B11R1.39 C\C(\C=O)=C\c1ccc(Br)o1 Amb25149248 [0,1,0,1,0,0|2,0,0]=4 941 B11R1.39 C\C(\C=O)=C\c1ccc(Cl)o1 Amb25149236 [0,1,0,1,0,0|2,0,0]=4 942 B11R1.39 Cc1ccc(\C=C(/C)\C=O)o1 Amb18125128 [0,1,0,1,0,0|2,0,0]=4 943 B11R1.39 Cc1ccc(\C=C(\C)/C=O)o1 Amb24399012 [0,1,0,1,0,0|2,0,0]=4 944 B11R1.39 OC(CO)\C=C\1/C=CC(=O)O1 Amb25097809 [0,1,0,1,0,0|0,0,2]=4 945 B11R1.39 O[C@@H](CO)\C=C\1/C=CC(=O)O1 Amb24501785 [0,1,0,1,0,0|0,0,2]=4 946 B11R1.39 O[C@H](CO)\C=C\1/C=CC(=O)O1 Amb25106032 [0,1,0,1,0,0|0,0,2]=4 947 B11R1.43 CC(=O)Oc1ccc(C=O)o1 Amb24634644 [0,1,0,1,0,0|2,0,0]=4 948 B11R1.43 CCc1ccc(CC(O)=O)o1 Amb18296537 [0,1,0,1,0,0|1,0,1]=4 949 B11R1.43 CSc1ccc(CC(O)=O)o1 Amb18198325 [0,1,0,1,0,0|0,1,1]=4 950 B11R1.43 OC(=O)Cc1ccc(CO)[nH]1 Amb25217878 [0,1,0,1,0,0|1,0,1]=4 951 B11R1.43 OC(=O)Cc1ccc(CO)[s]1 Amb25297809 [0,1,0,1,0,0|0,1,1]=4 952 B11R1.43 OC(=O)Cc1ccc(CO)o1 Amb24538218 [0,1,0,1,0,0|0,0,2]=4 953 B11R1.159 C=C(O)c1cccc(O)c1O Amb24060518 [0,1,0,1,0,0|1,0,1]=4 954 B11R1.159 CC(=O)C1=CC=CC(=O)C1=O Amb25099532 [0,1,0,1,0,0|1,0,1]=4 955 B11R1.159 CC(=O)C1=CC=CC(=O)N1C Amb24648859 [0,1,0,1,0,0|2,0,0]=4 956 B11R1.159 CC(=O)C=1C=CNC(=O)C1O Amb24639183 [0,1,0,1,0,0|2,0,0]=4 957 B11R1.159 CC(=O)C=1OC=CC(=O)C1O Amb24639294 [0,1,0,1,0,0|2,0,0]=4 958 B11R1.159 CC(=O)N1C=CC=C(O)C1=O Amb24365196 [0,1,0,1,0,0|2,0,0]=4 959 B11R1.159 CC(=O)c1cccc(Br)c1O Amb19895168 [0,1,0,1,0,0|2,0,0]=4 960 B11R1.159 CC(=O)c1cccc(O)c1Br Amb20240870 [0,1,0,1,0,0|2,0,0]=4 961 B11R1.159 CC(=O)c1cccc(O)c1Cl Amb18126735 [0,1,0,1,0,0|2,0,0]=4 962 B11R1.159 CC(=O)c1cccc(O)c1F Amb22735577 [0,1,0,1,0,0|2,0,0]=4 963 B11R1.159 CC(=O)c1cccc(O)c1N Amb18125233 [0,1,0,1,0,0|2,0,0]=4 964 B11R1.159 CC(=O)c1cccc(c1O)C Amb1489192 [0,1,0,1,0,0|2,0,0]=4 965 B11R1.159 CC(=O)c1cccc(c1O)F Amb10603316 [0,1,0,1,0,0|2,0,0]=4 966 B11R1.159 CC(=O)c1cccc(c1O)O Amb10603302 [0,1,0,1,0,0|1,0,1]=4 967 B11R1.159 CC1=C(C=CNC1=O)C(O)=O Amb18201188 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.159 CC1=CNC=C(C(O)=O)C1=O Amb18644554 [0,1,0,1,0,0|2,0,0]=4 969 B11R1.159 CN1C(=CC=CC1=O)C(=O)Cl Amb25028067 [0,1,0,1,0,0|2,0,0]=4 970 B11R1.159 CN1C(=CC=CC1=O)C(N)=O Amb22494719 [0,1,0,1,0,0|2,0,0]=4 971 B11R1.159 CN1C(=CC=CC1=O)C(O)=O Amb18644552 [0,1,0,1,0,0|1,0,0]=3 972 B11R1.159 CN1C=CC=C(C(O)=O)C1=O Amb18038520 [0,1,0,1,0,0|2,0,0]=4 973 B11R1.159 Cc1[n]ccc(C(O)=O)c1O Amb18125511 [0,1,0,1,0,0|2,0,0]=4 974 B11R1.159 Cc1c(O)cccc1C(=O)Cl Amb24433257 [0,1,0,1,0,0|2,0,0]=4 975 B11R1.159 Cc1c(O)cccc1C(C)=O Amb22752432 [0,1,0,1,0,0|2,0,0]=4 976 B11R1.159 Cc1c(O)cccc1C(N)=O Amb24102232 [0,1,0,1,0,0|2,0,0]=4 977 B11R1.159 Cc1c(S)cccc1C(O)=O Amb24487895 [0,1,0,1,0,0|1,1,0]=4 978 B11R1.159 Cc1c(c[n]cc1O)C(O)=O Amb25032540 [0,1,0,1,0,0|2,0,0]=4 979 B11R1.159 Cc1c(cccc1O)C(O)=S Amb25359964 [0,1,0,1,0,0|1,1,0]=4 980 B11R1.159 Cc1cc[n]c(C(O)=O)c1O Amb25359831 [0,1,0,1,0,0|2,0,0]=4 981 B11R1.159 Cc1cccc(C(O)=O)c1S Amb18126519 [0,1,0,1,0,0|1,1,0]=4 982 B11R1.159 Cc1cccc(C([O-])=O)c1O Amb22277132 [0,1,0,1,0,0|1,0,1]=4 983 B11R1.159 N=C1C(=CC=CC1=O)C(O)=O Amb24684273 [0,1,0,1,0,0|1,0,0]=3 984 B11R1.159 NC(=O)C1=CC=CC(=O)N1O Amb24485180 [0,1,0,1,0,0|1,0,0]=3 985 B11R1.159 NC(=O)c1cccc(Br)c1O Amb22501164 [0,1,0,1,0,0|2,0,0]=4 986 B11R1.159 NC(=O)c1cccc(Cl)c1O Amb25173632 [0,1,0,1,0,0|2,0,0]=4 987 B11R1.159 NC(=O)c1cccc(F)c1O Amb24086361 [0,1,0,1,0,0|2,0,0]=4 988 B11R1.159 NC(=O)c1cccc(O)c1F Amb24084164 [0,1,0,1,0,0|2,0,0]=4 989 B11R1.159 NC(=O)c1cccc(O)c1I Amb25095926 [0,1,0,1,0,0|2,0,0]=4 990 B11R1.159 NC(=O)c1cccc(O)c1O Amb25783945 [0,1,0,1,0,0|1,0,1]=4 991 B11R1.159 NC1=C(C=CNC1=O)C(O)=O Amb18200856 [0,1,0,1,0,0|2,0,0]=4 992 B11R1.159 NN1C=CC=C(C1O)C(O)=O Amb24739795 [0,1,0,1,0,0|2,0,0]=4 993 B11R1.159 N[C@@H]1[C@@H](O)C=CC=C1C(O)=O Amb24088874 [0,1,0,1,0,0|1,0,1]=4 994 B11R1.159 Nc1[n]ccc(C(O)=O)c1O Amb25794081 [0,1,0,1,0,0|2,0,0]=4 995 B11R1.159 Nc1c(O)cccc1C(N)=O Amb22500704 [0,1,0,1,0,0|2,0,0]=4 996 B11R1.159 Nc1c(S)cccc1C(O)=O Amb18938265 [0,1,0,1,0,0|1,1,0]=4 997 B11R1.159 Nc1cccc(C(O)=O)[n+]1[O-] Amb25718984 [0,1,0,1,0,0|1,0,1]=4 998 B11R1.159 Nc1cccc(C(O)=O)c1N Amb22283993 [0,1,0,1,0,0|2,0,0]=4 999 B11R1.159 Nc1cccc(C(O)=O)c1S Amb24710021 [0,1,0,1,0,0|1,1,0]=4 1000 B11R1.159 Nc1cccc(c1O)C(N)=O Amb24085781 [0,1,0,1,0,0|2,0,0]=4 1001 B11R1.159 OC(=O)C1=CC=CC(=O)N1O Amb19959009 [0,1,0,1,0,0|0,0,0]=2 1002 B11R1.159 OC(=O)C1=CC=CC(=S)C1=S Amb24693878 [0,1,0,1,0,0|0,2,0]=4 1003 B11R1.159 OC(=O)C1=CC=CN(O)C1=O Amb18038305 [0,1,0,1,0,0|1,0,0]=3 1004 B11R1.159 OC(=O)C=1C=CNC(=O)C1O Amb18200553 [0,1,0,1,0,0|1,0,0]=3 1005 B11R1.159 OC(=O)c1cccc(=O)[n]1O Amb22227966 [0,1,0,1,0,0|0,0,0]=2 1006 B11R1.159 OC(=O)c1cccc(Br)c1Br Amb22228260 [0,1,0,1,0,0|2,0,0]=4 1007 B11R1.159 OC(=O)c1cccc(Br)c1I Amb20634419 [0,1,0,1,0,0|2,0,0]=4 1008 B11R1.159 OC(=O)c1cccc(Br)c1S Amb25348615 [0,1,0,1,0,0|1,1,0]=4 1009 B11R1.159 OC(=O)c1cccc(Cl)c1Br Amb19888103 [0,1,0,1,0,0|2,0,0]=4 1010 B11R1.159 OC(=O)c1cccc(Cl)c1I Amb20076024 [0,1,0,1,0,0|2,0,0]=4 1011 B11R1.159 OC(=O)c1cccc(Cl)c1S Amb18650043 [0,1,0,1,0,0|1,1,0]=4 1012 B11R1.159 OC(=O)c1cccc(F)c1S Amb18947820 [0,1,0,1,0,0|1,1,0]=4 1013 B11R1.159 OC(=O)c1cccc(I)c1Cl Amb22166862 [0,1,0,1,0,0|2,0,0]=4 1014 B11R1.159 OC(=O)c1cccc(I)c1I Amb25733022 [0,1,0,1,0,0|2,0,0]=4 1015 B11R1.159 OC(=O)c1cccc(I)c1S Amb25329503 [0,1,0,1,0,0|1,1,0]=4 1016 B11R1.159 OC(=O)c1cccc(S)c1Cl Amb24334625 [0,1,0,1,0,0|1,1,0]=4 1017 B11R1.159 OC(=O)c1cccc([n+]1[O-])C Amb1078520 [0,1,0,1,0,0|1,0,1]=4 1018 B11R1.159 OC(=O)c1cccc(c1Br)I Amb10976054 [0,1,0,1,0,0|2,0,0]=4 1019 B11R1.159 OC(=O)c1cccc(c1Br)N Amb10842077 [0,1,0,1,0,0|2,0,0]=4 1020 B11R1.159 OC(=O)c1cccc(c1C)C Amb1207390 [0,1,0,1,0,0|2,0,0]=4 1021 B11R1.159 OC(=O)c1cccc(c1Cl)Br Amb16231626 [0,1,0,1,0,0|2,0,0]=4 1022 B11R1.159 OC(=O)c1cccc(c1Cl)Cl Amb1207372 [0,1,0,1,0,0|2,0,0]=4 1023 B11R1.159 OC(=O)c1cccc(c1F)Cl Amb2447457 [0,1,0,1,0,0|2,0,0]=4 1024 B11R1.159 OC(=O)c1cccc(c1I)C Amb1129052 [0,1,0,1,0,0|2,0,0]=4 1025 B11R1.159 OC(=O)c1cccc(c1I)N Amb10842076 [0,1,0,1,0,0|2,0,0]=4 1026 B11R1.159 OC(=O)c1cccc(c1N)Cl Amb1223239 [0,1,0,1,0,0|2,0,0]=4 1027 B11R1.159 OC(=O)c1cccc(c1N)N Amb1094141 [0,1,0,1,0,0|2,0,0]=4 1028 B11R1.159 OC(=O)c1cccc(c1O)F Amb2447531 [0,1,0,1,0,0|1,0,0]=3 1029 B11R1.159 OC(=O)c1cccc(c1O)N Amb1043752 [0,1,0,1,0,0|1,0,0]=3 1030 B11R1.159 OC(=O)c1ccnc(c1O)Cl Amb10602051 [0,1,0,1,0,0|2,0,0]=4 1031 B11R1.159 OC(=O)c1nccc(c1C)O Amb17615567 [0,1,0,1,0,0|2,0,0]=4 1032 B11R1.159 OC1=C(C=CNC1=O)C(=O)Cl Amb24719643 [0,1,0,1,0,0|2,0,0]=4 1033 B11R1.159 O[13C](=O)c1cccc(c1Cl)Cl Amb17612589 [0,1,0,1,0,0|2,0,0]=4 1034 B11R1.159 Oc1[n]ccc(c1Br)C(O)=O Amb25028146 [0,1,0,1,0,0|2,0,0]=4 1035 B11R1.159 Oc1[n]ccc(c1F)C(O)=O Amb25152815 [0,1,0,1,0,0|2,0,0]=4 1036 B11R1.159 Oc1c(Br)c[n]cc1C(O)=O Amb19958699 [0,1,0,1,0,0|2,0,0]=4 1037 B11R1.159 Oc1c(Cl)cc[n]c1C(O)=O Amb22057869 [0,1,0,1,0,0|2,0,0]=4 1038 B11R1.159 Oc1c(F)[n]ccc1C(O)=O Amb25027879 [0,1,0,1,0,0|2,0,0]=4 1039 B11R1.159 Oc1c(F)c[n]cc1C(O)=O Amb24099314 [0,1,0,1,0,0|2,0,0]=4 1040 B11R1.159 Oc1c(F)cc[n]c1C(O)=O Amb25352096 [0,1,0,1,0,0|2,0,0]=4 1041 B11R1.159 Oc1c(F)cccc1C(=O)Cl Amb24725232 [0,1,0,1,0,0|2,0,0]=4 1042 B11R1.159 Oc1c(F)cccc1C(O)=S Amb24086363 [0,1,0,1,0,0|1,1,0]=4 1043 B11R1.159 Oc1c(S)cccc1C(O)=O Amb18647320 [0,1,0,1,0,0|0,1,0]=3 1044 B11R1.159 Oc1c(cccc1Cl)C(=O)Cl Amb24061943 [0,1,0,1,0,0|2,0,0]=4 1045 B11R1.159 Oc1c[n]cc(c1Br)C(O)=O Amb24505564 [0,1,0,1,0,0|2,0,0]=4 1046 B11R1.159 Oc1c[n]cc(c1Cl)C(O)=O Amb24062442 [0,1,0,1,0,0|2,0,0]=4 1047 B11R1.159 Oc1cc[n]c(C(O)=O)c1O Amb24740856 [0,1,0,1,0,0|1,0,1]=4 1048 B11R1.159 Oc1cc[n]c(c1Br)C(O)=O Amb25208591 [0,1,0,1,0,0|2,0,0]=4 1049 B11R1.159 Oc1cccc(C(=O)Cl)c1Br Amb25270679 [0,1,0,1,0,0|2,0,0]=4 1050 B11R1.159 Oc1cccc(C(=O)Cl)c1O Amb24101590 [0,1,0,1,0,0|1,0,1]=4 1051 B11R1.159 Oc1cccc(c1Br)C(O)=O Amb18171413 [0,1,0,1,0,0|1,0,0]=3 1052 B11R1.159 Oc1cccc(c1Cl)C(O)=O Amb22001548 [0,1,0,1,0,0|1,0,0]=3 1053 B11R1.159 [NH3+]c1cccc(C(O)=O)c1O Amb22641593 [0,1,0,1,0,0|1,0,0]=3 1054 B11R1.159 [O-]C(=O)c1cccc(c1O)C Amb10067431 [0,1,0,1,0,0|1,0,1]=4 1055 B11R1.159 [O-][n+]1c(Br)cccc1C(O)=O Amb24634518 [0,1,0,1,0,0|1,0,1]=4 1056 B11R1.266 BrCc1cccc(c1)C(=O)O Amb1213401 [0,1,0,1,0,0|2,0,0]=4 1057 B11R1.266 C#Cc1cccc([n]1)C(O)=O Amb21857617 [0,1,0,1,0,0|2,0,0]=4 1058 B11R1.266 C#Cc1cccc(c1)C(=O)O Amb10603689 [0,1,0,1,0,0|2,0,0]=4 1059 B11R1.266 C=Cc1cccc([n]1)C(O)=O Amb25790049 [0,1,0,1,0,0|2,0,0]=4 1060 B11R1.266 CC(=O)c1cc(ccc1)N=O Amb25087142 [0,1,0,1,0,0|2,0,0]=4 1061 B11R1.266 CC(=O)c1cc(ccc1)NO Amb24486320 [0,1,0,1,0,0|2,0,0]=4 1062 B11R1.266 CCc1cccc([n]1)C(O)=O Amb21857614 [0,1,0,1,0,0|2,0,0]=4 1063 B11R1.266 CNc1cc(ccc1)C(O)=O Amb22899076 [0,1,0,1,0,0|2,0,0]=4 1064 B11R1.266 CNc1cccc([n]1)C(O)=O Amb18959747 [0,1,0,1,0,0|2,0,0]=4 1065 B11R1.266 CNc1cccc(c1)C(=O)O Amb17306309 [0,1,0,1,0,0|2,0,0]=4 1066 B11R1.266 CO[n+]1cccc(c1)C(=O)O Amb10573214 [0,1,0,1,0,0|2,0,0]=4 1067 B11R1.266 COc1[n]c(cc[n]1)C(O)=O Amb18125652 [0,1,0,1,0,0|2,0,0]=4 1068 B11R1.266 COc1cc(cc[n]1)C(O)=O Amb22499680 [0,1,0,1,0,0|2,0,0]=4 1069 B11R1.266 COc1cc(ccc1)C(=O)Br Amb24102346 [0,1,0,1,0,0|2,0,0]=4 1070 B11R1.266 COc1cc(ccc1)S(O)=O Amb18862872 [0,1,0,1,0,0|2,0,0]=4 1071 B11R1.266 COc1cccc([n]1)C(=O)Cl Amb25332430 [0,1,0,1,0,0|2,0,0]=4 1072 B11R1.266 COc1cccc(c1)C(=O)O Amb1227738 [0,1,0,1,0,0|1,0,0]=3 1073 B11R1.266 COc1cccc(n1)C(=O)C Amb10601920 [0,1,0,1,0,0|2,0,0]=4 1074 B11R1.266 COc1cccc(n1)C(O)=O Amb17672016 [0,1,0,1,0,0|1,0,0]=3 1075 B11R1.266 COc1ccnc(n1)C(=O)O Amb10603796 [0,1,0,1,0,0|2,0,0]=4 1076 B11R1.266 COc1nccc(c1)C(=O)O Amb1102567 [0,1,0,1,0,0|2,0,0]=4 1077 B11R1.266 CSc1cccc([n]1)C(O)=O Amb18284988 [0,1,0,1,0,0|1,1,0]=4 1078 B11R1.266 ClC(=O)c1cccc(B=O)c1 Amb17938054 [0,1,0,1,0,0|2,0,0]=4 1079 B11R1.266 N#Cc1cccc(c1)C(=O)O Amb1208364 [0,1,0,1,0,0|2,0,0]=4 1080 B11R1.266 N#Cc1cccc(n1)C(=O)O Amb16192027 [0,1,0,1,0,0|2,0,0]=4 1081 B11R1.266 NC(=O)c1cc(ccc1)N=O Amb22167295 [0,1,0,1,0,0|2,0,0]=4 1082 B11R1.266 NC(=O)c1cc(ccc1)NO Amb24085376 [0,1,0,1,0,0|2,0,0]=4 1083 B11R1.266 NC(=O)c1cccc(c1)C=O Amb19514706 [0,1,0,1,0,0|2,0,0]=4 1084 B11R1.266 NCc1cccc([n]1)C(O)=O Amb22727985 [0,1,0,1,0,0|2,0,0]=4 1085 B11R1.266 NCc1cccc(n1)C(=O)O Amb16231963 [0,1,0,1,0,0|2,0,0]=4 1086 B11R1.266 NNc1cc(ccc1)C(O)=O Amb17658979 [0,1,0,1,0,0|2,0,0]=4 1087 B11R1.266 NNc1cccc(c1)C(=O)O Amb10664885 [0,1,0,1,0,0|2,0,0]=4 1088 B11R1.266 NNc1cccc(c1)C(=O)O Amb2234498 [0,1,0,1,0,0|2,0,0]=4 1089 B11R1.266 NNc1cccc(n1)C(=O)O Amb16230599 [0,1,0,1,0,0|2,0,0]=4 1090 B11R1.266 O=C(Cl)c1cc(ccc1)C=O Amb22893506 [0,1,0,1,0,0|2,0,0]=4 1091 B11R1.266 O=C(Cl)c1cccc(C=O)[n]1 Amb25783742 [0,1,0,1,0,0|2,0,0]=4 1092 B11R1.266 O=Cc1cccc(c1)C(=O)C Amb10607476 [0,1,0,1,0,0|2,0,0]=4 1093 B11R1.266 O=Cc1cccc(n1)C(=O)C Amb10602989 [0,1,0,1,0,0|2,0,0]=4 1094 B11R1.266 O=[I]c1cccc(c1)C(=O)O Amb10564563 [0,1,0,1,0,0|1,0,0]=3 1095 B11R1.266 OC(=O)c1cc(CO)[n]cc1 Amb21857371 [0,1,0,1,0,0|2,0,0]=4 1096 B11R1.266 OC(=O)c1cc(cc[n]1)C=O Amb22500483 [0,1,0,1,0,0|2,0,0]=4 1097 B11R1.266 OC(=O)c1cc(cc[n]1)NO Amb25204102 [0,1,0,1,0,0|2,0,0]=4 1098 B11R1.266 OC(=O)c1cc(ccc1)N=O Amb24102473 [0,1,0,1,0,0|1,0,0]=3 1099 B11R1.266 OC(=O)c1cc(ccc1)NO Amb24626642 [0,1,0,1,0,0|1,0,0]=3 1100 B11R1.266 OC(=O)c1cc(ccc1)[Hg]Cl Amb22347655 [0,1,0,1,0,0|2,0,0]=4 1101 B11R1.266 OC(=O)c1cc[n]c(c1)C=O Amb21857065 [0,1,0,1,0,0|2,0,0]=4 1102 B11R1.266 OC(=O)c1cccc(C=O)[n]1 Amb18201819 [0,1,0,1,0,0|1,0,0]=3 1103 B11R1.266 OC(=O)c1cccc(NO)[n]1 Amb25710814 [0,1,0,1,0,0|1,0,0]=3 1104 B11R1.266 OCc1cc(ccc1)C(=O)Cl Amb25741482 [0,1,0,1,0,0|2,0,0]=4 1105 B11R1.266 OCc1cccc(c1)C(=O)C Amb10608833 [0,1,0,1,0,0|2,0,0]=4 1106 B11R1.266 OCc1cccc(n1)C(=O)N Amb16231067 [0,1,0,1,0,0|2,0,0]=4 1107 B11R1.266 [C-]#[N+]c1cc(ccc1)C(O)=O Amb25245852 [0,1,0,1,0,0|2,0,0]=4 1108 B11R1.565 CC(=O)C1=CC=CC(=O)C=C1 Amb24379508 [0,1,0,1,0,0|2,0,0]=4 1109 B11R1.565 OC(=O)C1=CC=CC(=O)C=C1 Amb24485880 [0,1,0,1,0,0|1,0,0]=3 1110 B11R1.565 OC(=O)C1=CCC(=O)NC=C1 Amb24078439 [0,1,0,1,0,0|2,0,0]=4 1111 B11R1.849 COC(=O)C/1C\C1=C\C(O)=O Amb25362160 [0,1,0,1,0,0|0,0,2]=4 1112 B11R1.849 COC(=O)C1CC1=CC(O)=O Amb25261373 [0,1,0,1,0,0|0,0,2]=4 1113 B11R1.870 COC(=O)C1C=CC1C(O)=O Amb25028121 [0,1,0,1,0,0|0,0,2]=4 1114 B11R1.870 COC(=O)C=1CCC1C(O)=O Amb24652503 [0,1,0,1,0,0|0,0,2]=4 1115 B11R1.870 COC(=O)[C@H]1C=C[C@H]1C(O)=O Amb25200966 [0,1,0,1,0,0|0,0,2]=4 1116 B11R1.74 CC(=O)c1cc(Br)cc(O)[n]1 Amb24447566 [0,1,0,1,0,0|2,0,0]=4 1117 B11R1.74 CC(=O)c1cc(Cl)cc(O)[n]1 Amb24454812 [0,1,0,1,0,0|2,0,0]=4 1118 B11R1.74 CC(=O)c1cc(O)cc(Cl)c1 Amb25684683 [0,1,0,1,0,0|2,0,0]=4 1119 B11R1.74 CC(=O)c1cc(O)cc(I)c1 Amb25084993 [0,1,0,1,0,0|2,0,0]=4 1120 B11R1.74 CC1=CC(=CC(=O)N1)C(O)=O Amb18125515 [0,1,0,1,0,0|2,0,0]=4 1121 B11R1.74 CC1=CC(=NC(=O)N1)C(O)=O Amb18529631 [0,1,0,1,0,0|2,0,0]=4 1122 B11R1.74 CC1=CC(=O)C=C(N1)C(O)=O Amb19517028 [0,1,0,1,0,0|2,0,0]=4 1123 B11R1.74 CC1=CC(=O)C=C(O1)C(O)=O Amb18125636 [0,1,0,1,0,0|1,0,0]=3 1124 B11R1.74 CC1=CC(=O)OC(=C1)C(=O)Cl Amb25114186 [0,1,0,1,0,0|1,0,0]=3 1125 B11R1.74 CC1=CC(=O)OC(=C1)C(N)=O Amb19664809 [0,1,0,1,0,0|1,0,0]=3 1126 B11R1.74 CC1=CC(=O)OC(=C1)C(O)=O Amb18125634 [0,1,0,1,0,0|0,0,0]=2 1127 B11R1.74 CC=1C=C(NC(=O)N1)C(O)=O Amb18529650 [0,1,0,1,0,0|2,0,0]=4 1128 B11R1.74 Cc1cc(Br)cc([n]1)C(O)=O Amb18769911 [0,1,0,1,0,0|2,0,0]=4 1129 B11R1.74 Cc1cc(Br)cc([n]1)C(O)=O Amb24065882 [0,1,0,1,0,0|2,0,0]=4 1130 B11R1.74 Cc1cc(C)nc(c1)C(=O)O Amb1299546 [0,1,0,1,0,0|2,0,0]=4 1131 B11R1.74 Cc1cc(Cl)cc([n]1)C(O)=O Amb18647567 [0,1,0,1,0,0|2,0,0]=4 1132 B11R1.74 Cc1cc(Cl)cc([n]1)C(O)=O Amb24183683 [0,1,0,1,0,0|2,0,0]=4 1133 B11R1.74 Cc1cc(Cl)nc(c1)C(=O)O Amb10603051 [0,1,0,1,0,0|2,0,0]=4 1134 B11R1.74 Cc1cc(F)cc([n]1)C(O)=O Amb22235356 [0,1,0,1,0,0|2,0,0]=4 1135 B11R1.74 Cc1cc(I)cc([n]1)C(O)=O Amb25775135 [0,1,0,1,0,0|2,0,0]=4 1136 B11R1.74 Cc1cc(N)cc([n]1)C(O)=O Amb18201465 [0,1,0,1,0,0|2,0,0]=4 1137 B11R1.74 Cc1cc(O)[n]c([n]1)C(O)=O Amb25771189 [0,1,0,1,0,0|2,0,0]=4 1138 B11R1.74 Cc1cc(S)cc([n]1)C(O)=O Amb25773056 [0,1,0,1,0,0|2,0,0]=4 1139 B11R1.74 Cc1cc([n]c(C)c1)C(O)=O Amb22886606 [0,1,0,1,0,0|2,0,0]=4 1140 B11R1.74 Cc1cc([n]c(F)c1)C(O)=O Amb25240548 [0,1,0,1,0,0|2,0,0]=4 1141 B11R1.74 Cc1cc([n]c(O)[n]1)C(O)=O Amb20623077 [0,1,0,1,0,0|2,0,0]=4 1142 B11R1.74 Cc1cc([n]c(O)c1)C(N)=O Amb24584296 [0,1,0,1,0,0|2,0,0]=4 1143 B11R1.74 Cc1cc(cc(Cl)c1)C(O)=O Amb19944112 [0,1,0,1,0,0|2,0,0]=4 1144 B11R1.74 Cc1cc(cc(I)c1)C(O)=O Amb24329104 [0,1,0,1,0,0|2,0,0]=4 1145 B11R1.74 Cc1cc(cc(O)c1)C(C)=O Amb18125103 [0,1,0,1,0,0|2,0,0]=4 1146 B11R1.74 Cc1cc(cc(O)c1)C(N)=O Amb20621087 [0,1,0,1,0,0|2,0,0]=4 1147 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O Amb10070312 [0,1,0,1,0,0|2,0,0]=4 1148 B11R1.74 Clc1cc(Cl)nc(c1)C(=O)O Amb16185753 [0,1,0,1,0,0|2,0,0]=4 1149 B11R1.74 Clc1cc(I)cc(c1)C(=O)O Amb10069352 [0,1,0,1,0,0|2,0,0]=4 1150 B11R1.74 NC(=O)c1cc(O)cc(Br)c1 Amb25064813 [0,1,0,1,0,0|2,0,0]=4 1151 B11R1.74 NC(=O)c1cc(O)cc(Cl)c1 Amb25808637 [0,1,0,1,0,0|2,0,0]=4 1152 B11R1.74 NC(=O)c1cc(O)cc(F)c1 Amb25360845 [0,1,0,1,0,0|2,0,0]=4 1153 B11R1.74 NC(=O)c1cc(O)cc(I)c1 Amb24382553 [0,1,0,1,0,0|2,0,0]=4 1154 B11R1.74 NC1=CC(=CC(=O)N1)C(O)=O Amb18200850 [0,1,0,1,0,0|2,0,0]=4 1155 B11R1.74 NC1=CC(=NC(=O)N1)C(O)=O Amb25300695 [0,1,0,1,0,0|2,0,0]=4 1156 B11R1.74 NC1=CC(=O)C=C(N1)C(O)=O Amb24520598 [0,1,0,1,0,0|2,0,0]=4 1157 B11R1.74 Nc1cc(Br)cc([n]1)C(O)=O Amb22292443 [0,1,0,1,0,0|2,0,0]=4 1158 B11R1.74 Nc1cc(Cl)cc([n]1)C(O)=O Amb18198129 [0,1,0,1,0,0|2,0,0]=4 1159 B11R1.74 Nc1cc(Cl)nc(c1)C(=O)O Amb13887031 [0,1,0,1,0,0|2,0,0]=4 1160 B11R1.74 Nc1cc(N)cc(c1)C(O)=O Amb17679048 [0,1,0,1,0,0|2,0,0]=4 1161 B11R1.74 Nc1cc([n]c(Br)c1)C(O)=O Amb22292447 [0,1,0,1,0,0|2,0,0]=4 1162 B11R1.74 Nc1cc([n]c(F)c1)C(O)=O Amb24340397 [0,1,0,1,0,0|2,0,0]=4 1163 B11R1.74 Nc1cc([n]c(N)c1)C(O)=O Amb24717149 [0,1,0,1,0,0|2,0,0]=4 1164 B11R1.74 Nc1cc(cc(N)c1)C(O)=O Amb21928135 [0,1,0,1,0,0|2,0,0]=4 1165 B11R1.74 Nc1cc(cc(N)c1)C(O)=O Amb24085520 [0,1,0,1,0,0|2,0,0]=4 1166 B11R1.74 Nc1cc(cc(O)c1)C(N)=O Amb22498318 [0,1,0,1,0,0|2,0,0]=4 1167 B11R1.74 OC(=O)C1=CC(=O)CC(=O)O1 Amb25805348 [0,1,0,1,0,0|0,0,1]=3 1168 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 Amb18185805 [0,1,0,1,0,0|2,0,0]=4 1169 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 Amb19668447 [0,1,0,1,0,0|2,0,0]=4 1170 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 Amb22167531 [0,1,0,1,0,0|2,0,0]=4 1171 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 Amb22265107 [0,1,0,1,0,0|2,0,0]=4 1172 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 Amb22730796 [0,1,0,1,0,0|2,0,0]=4 1173 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 Amb22734702 [0,1,0,1,0,0|2,0,0]=4 1174 B11R1.74 OC(=O)C1=CC(=O)NC(Cl)=C1 Amb22728292 [0,1,0,1,0,0|2,0,0]=4 1175 B11R1.74 OC(=O)C1=CC(=O)OC(=O)N1 Amb24487932 [0,1,0,1,0,0|2,0,0]=4 1176 B11R1.74 OC(=O)C1=CC(=O)[15NH][13C](=O)[15NH]1 Amb22055991 [0,1,0,1,0,0|2,0,0]=4 1177 B11R1.74 OC(=O)C1=CC(F)=CC(=O)O1 Amb25337479 [0,1,0,1,0,0|0,0,0]=2 1178 B11R1.74 OC(=O)C1=CC(O)=CC(=O)O1 Amb18644775 [0,1,0,1,0,0|0,0,0]=2 1179 B11R1.74 OC(=O)C=1C=C(O)NC(=O)C1 Amb18200555 [0,1,0,1,0,0|2,0,0]=4 1180 B11R1.74 OC(=O)C=1CC(=O)OC(=O)C1 Amb22730029 [0,1,0,1,0,0|2,0,0]=4 1181 B11R1.74 OC(=O)C=1NC(=O)C=C(O)N1 Amb18043044 [0,1,0,1,0,0|2,0,0]=4 1182 B11R1.74 OC(=O)c1[n]c(O)cc(O)[n]1 Amb18545060 [0,1,0,1,0,0|2,0,0]=4 1183 B11R1.74 OC(=O)c1cc(Br)cc(Br)[n]1 Amb22263389 [0,1,0,1,0,0|2,0,0]=4 1184 B11R1.74 OC(=O)c1cc(Br)cc(Cl)[n]1 Amb22292444 [0,1,0,1,0,0|2,0,0]=4 1185 B11R1.74 OC(=O)c1cc(C)cc(c1)C Amb2387602 [0,1,0,1,0,0|2,0,0]=4 1186 B11R1.74 OC(=O)c1cc(Cl)cc(Br)[n]1 Amb18158682 [0,1,0,1,0,0|2,0,0]=4 1187 B11R1.74 OC(=O)c1cc(Cl)cc(F)[n]1 Amb25072725 [0,1,0,1,0,0|2,0,0]=4 1188 B11R1.74 OC(=O)c1cc(F)cc(Br)[n]1 Amb24695203 [0,1,0,1,0,0|2,0,0]=4 1189 B11R1.74 OC(=O)c1cc(F)cc(Cl)[n]1 Amb22752567 [0,1,0,1,0,0|2,0,0]=4 1190 B11R1.74 OC(=O)c1cc(F)cc(I)[n]1 Amb25315264 [0,1,0,1,0,0|2,0,0]=4 1191 B11R1.74 OC(=O)c1cc(F)cc(c1)F Amb1227715 [0,1,0,1,0,0|2,0,0]=4 1192 B11R1.74 OC(=O)c1cc(I)cc(Br)[n]1 Amb25251523 [0,1,0,1,0,0|2,0,0]=4 1193 B11R1.74 OC(=O)c1cc(I)cc(F)[n]1 Amb24385018 [0,1,0,1,0,0|2,0,0]=4 1194 B11R1.74 OC(=O)c1cc(O)[nH]c(=O)c1 Amb1149941 [0,1,0,1,0,0|2,0,0]=4 1195 B11R1.74 OC(=O)c1cc(S)cc(S)c1 Amb18649397 [0,1,0,1,0,0|1,1,0]=4 1196 B11R1.74 Oc1cc(Br)cc([n]1)C(O)=O Amb24555661 [0,1,0,1,0,0|1,0,0]=3 1197 B11R1.74 Oc1cc(Br)cc(c1)C(O)=O Amb19959245 [0,1,0,1,0,0|1,0,0]=3 1198 B11R1.74 Oc1cc(Cl)cc([n]1)C(O)=O Amb18197852 [0,1,0,1,0,0|1,0,0]=3 1199 B11R1.74 Oc1cc(F)cc([n]1)C(O)=O Amb24367744 [0,1,0,1,0,0|1,0,0]=3 1200 B11R1.74 Oc1cc(F)cc(c1)C(=O)O Amb10840750 [0,1,0,1,0,0|1,0,0]=3 1201 B11R1.74 Oc1cc(I)cc([n]1)C(O)=O Amb25049350 [0,1,0,1,0,0|1,0,0]=3 1202 B11R1.74 Oc1cc(I)cc(c1)C(O)=O Amb20240618 [0,1,0,1,0,0|1,0,0]=3 1203 B11R1.74 Oc1cc([n]c(Br)c1)C(O)=O Amb25776256 [0,1,0,1,0,0|2,0,0]=4 1204 B11R1.74 Oc1cc([n]c(Cl)c1)C(O)=O Amb24470431 [0,1,0,1,0,0|2,0,0]=4 1205 B11R1.74 Oc1cc(cc(Br)c1)C(=O)Cl Amb24727270 [0,1,0,1,0,0|2,0,0]=4 1206 B11R1.74 Oc1cc(cc(F)c1)C(=O)Cl Amb25152820 [0,1,0,1,0,0|2,0,0]=4 1207 B11R1.74 Oc1cc(cc(O)c1)C(=O)Cl Amb24085544 [0,1,0,1,0,0|2,0,0]=4 1208 B11R1.74 Oc1nc(O)cc(c1)C(=O)O Amb1083130 [0,1,0,1,0,0|2,0,0]=4 1209 B11R1.74 Oc1nc(O)nc(c1)C(=O)O Amb2226461 [0,1,0,1,0,0|2,0,0]=4 1210 B11R1.74 [2H]c1cc(cc([2H])c1)C(O)=O Amb22345930 [0,1,0,1,0,0|2,0,0]=4 1211 B11R1.167 Brc1ccc(c(c1)C(=O)O)F Amb1233202 [0,1,0,1,0,0|2,0,0]=4 1212 B11R1.167 Brc1ccc(c(c1)C(=O)O)I Amb1107594 [0,1,0,1,0,0|2,0,0]=4 1213 B11R1.167 Brc1ccc(c(c1)C(=O)O)O Amb1934189 [0,1,0,1,0,0|2,0,0]=4 1214 B11R1.167 CC(=O)C1=CC(=O)C=CC1=O Amb25347519 [0,1,0,1,0,0|2,0,0]=4 1215 B11R1.167 CC(=O)c1cc(O)ccc1Br Amb22886920 [0,1,0,1,0,0|2,0,0]=4 1216 B11R1.167 CC(=O)c1cc(O)ccc1Cl Amb18126736 [0,1,0,1,0,0|2,0,0]=4 1217 B11R1.167 CC(=O)c1cc(O)ccc1N Amb21964114 [0,1,0,1,0,0|2,0,0]=4 1218 B11R1.167 CC1=CNC(=O)C=C1C(O)=O Amb18201203 [0,1,0,1,0,0|2,0,0]=4 1219 B11R1.167 CC=1C=CC(=O)NC1C(O)=O Amb18125522 [0,1,0,1,0,0|1,0,0]=3 1220 B11R1.167 CC=1C=CC(=O)OC1C(O)=O Amb18125635 [0,1,0,1,0,0|0,0,0]=2 1221 B11R1.167 CN1C=CC(=O)C=C1C(O)=O Amb18125517 [0,1,0,1,0,0|2,0,0]=4 1222 B11R1.167 Cc1[n]cc(O)[n]c1C(O)=O Amb25351864 [0,1,0,1,0,0|2,0,0]=4 1223 B11R1.167 Cc1[n]cc(O)cc1C(O)=O Amb22263329 [0,1,0,1,0,0|2,0,0]=4 1224 B11R1.167 Cc1cc(C(O)=O)c(S)cc1 Amb18280213 [0,1,0,1,0,0|2,0,0]=4 1225 B11R1.167 Cc1ccc(Br)c([n]1)C(O)=O Amb21962442 [0,1,0,1,0,0|2,0,0]=4 1226 B11R1.167 Cc1ccc(C)c([n]1)C(O)=O Amb18125241 [0,1,0,1,0,0|2,0,0]=4 1227 B11R1.167 Cc1ccc(Cl)[n]c1C(O)=O Amb18825385 [0,1,0,1,0,0|2,0,0]=4 1228 B11R1.167 Cc1ccc(Cl)c([n]1)C(O)=O Amb22002135 [0,1,0,1,0,0|2,0,0]=4 1229 B11R1.167 Cc1ccc(F)[n]c1C(O)=O Amb25336373 [0,1,0,1,0,0|2,0,0]=4 1230 B11R1.167 Cc1ccc(F)c([n]1)C(O)=O Amb19895374 [0,1,0,1,0,0|2,0,0]=4 1231 B11R1.167 Cc1ccc(I)cc1C(O)=O Amb17835261 [0,1,0,1,0,0|2,0,0]=4 1232 B11R1.167 Cc1ccc(N)c([n]1)C(O)=O Amb23439084 [0,1,0,1,0,0|2,0,0]=4 1233 B11R1.167 Cc1ccc(O)c([n]1)C(O)=O Amb18644550 [0,1,0,1,0,0|2,0,0]=4 1234 B11R1.167 Cc1ccc(O)cc1C(C)=O Amb22752390 [0,1,0,1,0,0|2,0,0]=4 1235 B11R1.167 Cc1ccc(S)c([n]1)C(O)=O Amb24355906 [0,1,0,1,0,0|2,0,0]=4 1236 B11R1.167 Cc1ccc(S)cc1C(O)=O Amb25310962 [0,1,0,1,0,0|1,1,0]=4 1237 B11R1.167 Cc1ccc(c(c1)C(=O)O)N Amb1353188 [0,1,0,1,0,0|2,0,0]=4 1238 B11R1.167 Cl[13c]1ccc([13c]([15n]1)C(=O)O)Cl Amb17611279 [0,1,0,1,0,0|2,0,0]=4 1239 B11R1.167 Clc1ccc(c(c1)C(=O)O)Cl Amb2099522 [0,1,0,1,0,0|2,0,0]=4 1240 B11R1.167 Clc1ccc(c(c1)C(=O)O)F Amb1229906 [0,1,0,1,0,0|2,0,0]=4 1241 B11R1.167 Clc1ccc(c(c1)C(=O)O)I Amb1133362 [0,1,0,1,0,0|2,0,0]=4 1242 B11R1.167 Clc1ccc(c(c1)C(=O)O)N Amb1353189 [0,1,0,1,0,0|2,0,0]=4 1243 B11R1.167 Clc1ccc(c(n1)C(=O)O)Br Amb10070774 [0,1,0,1,0,0|2,0,0]=4 1244 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl Amb1153040 [0,1,0,1,0,0|2,0,0]=4 1245 B11R1.167 Clc1ccc(c(n1)C(=O)O)F Amb16231986 [0,1,0,1,0,0|2,0,0]=4 1246 B11R1.167 Fc1ccc(c(c1)C(=O)O)Br Amb1228485 [0,1,0,1,0,0|2,0,0]=4 1247 B11R1.167 Fc1ccc(c(c1)C(=O)O)C Amb1229971 [0,1,0,1,0,0|2,0,0]=4 1248 B11R1.167 Fc1ccc(c(c1)C(=O)O)F Amb1214894 [0,1,0,1,0,0|2,0,0]=4 1249 B11R1.167 Fc1ccc(c(c1)C(=O)O)N Amb1104986 [0,1,0,1,0,0|2,0,0]=4 1250 B11R1.167 Fc1ccc(c(c1)C(=O)O)S Amb10838443 [0,1,0,1,0,0|2,0,0]=4 1251 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br Amb1785330 [0,1,0,1,0,0|2,0,0]=4 1252 B11R1.167 Ic1ccc(c(c1)C(=O)O)N Amb1233201 [0,1,0,1,0,0|2,0,0]=4 1253 B11R1.167 N=C1C=CC(=O)C(=C1)C(O)=O Amb22055535 [0,1,0,1,0,0|2,0,0]=4 1254 B11R1.167 N=C1C=CC(=O)C=C1C(O)=O Amb25300458 [0,1,0,1,0,0|1,0,0]=3 1255 B11R1.167 NC(=O)C=1NC(=O)C=CC1Br Amb22755254 [0,1,0,1,0,0|2,0,0]=4 1256 B11R1.167 NC(=O)C=1NC(=O)C=CC1Cl Amb22755266 [0,1,0,1,0,0|2,0,0]=4 1257 B11R1.167 NC(=O)c1[n]c(O)ccc1Br Amb22751768 [0,1,0,1,0,0|2,0,0]=4 1258 B11R1.167 NC(=O)c1[n]c(O)ccc1Cl Amb22751771 [0,1,0,1,0,0|2,0,0]=4 1259 B11R1.167 NC(=O)c1cc(O)ccc1Br Amb24559265 [0,1,0,1,0,0|2,0,0]=4 1260 B11R1.167 NC(=O)c1cc(O)ccc1F Amb24432738 [0,1,0,1,0,0|2,0,0]=4 1261 B11R1.167 NC(=O)c1cc(O)ccc1O Amb18125513 [0,1,0,1,0,0|2,0,0]=4 1262 B11R1.167 N[13c]1[13cH][13cH][13c]([13c]([13cH]1)C(=O)O)O Amb17616860 [0,1,0,1,0,0|2,0,0]=4 1263 B11R1.167 Nc1[n]cc(O)[n]c1C(O)=O Amb25239972 [0,1,0,1,0,0|2,0,0]=4 1264 B11R1.167 Nc1c[n]c(O)cc1C(O)=O Amb18831042 [0,1,0,1,0,0|2,0,0]=4 1265 B11R1.167 Nc1cc(C(O)=O)c(F)cc1 Amb21896949 [0,1,0,1,0,0|2,0,0]=4 1266 B11R1.167 Nc1cc(C(O)=O)c(S)cc1 Amb20620211 [0,1,0,1,0,0|2,0,0]=4 1267 B11R1.167 Nc1ccc(Br)[n]c1C(O)=O Amb21964060 [0,1,0,1,0,0|2,0,0]=4 1268 B11R1.167 Nc1ccc(Br)c([n]1)C(O)=O Amb19958986 [0,1,0,1,0,0|2,0,0]=4 1269 B11R1.167 Nc1ccc(Cl)[n]c1C(O)=O Amb22405925 [0,1,0,1,0,0|2,0,0]=4 1270 B11R1.167 Nc1ccc(Cl)nc1C(O)=O Amb17739943 [0,1,0,1,0,0|2,0,0]=4 1271 B11R1.167 Nc1ccc(F)[n]c1C(O)=O Amb25253049 [0,1,0,1,0,0|2,0,0]=4 1272 B11R1.167 Nc1ccc(F)c([n]1)C(O)=O Amb25243335 [0,1,0,1,0,0|2,0,0]=4 1273 B11R1.167 Nc1ccc(F)cc1C(O)=O Amb22228571 [0,1,0,1,0,0|2,0,0]=4 1274 B11R1.167 Nc1ccc(O)c([n]1)C(O)=O Amb24488057 [0,1,0,1,0,0|2,0,0]=4 1275 B11R1.167 Nc1ccc(O)c(c1)C(O)=O Amb24081346 [0,1,0,1,0,0|2,0,0]=4 1276 B11R1.167 Nc1ccc(O)cc1C(=O)Br Amb24642498 [0,1,0,1,0,0|2,0,0]=4 1277 B11R1.167 Nc1ccc(O)cc1C(N)=O Amb18278807 [0,1,0,1,0,0|2,0,0]=4 1278 B11R1.167 Nc1ccc(c(c1)C(=O)O)O Amb1072203 [0,1,0,1,0,0|2,0,0]=4 1279 B11R1.167 OC(=O)C1=CC(=O)NC=C1Br Amb18769458 [0,1,0,1,0,0|2,0,0]=4 1280 B11R1.167 OC(=O)C1=CC(=O)NC=C1O Amb20242309 [0,1,0,1,0,0|2,0,0]=4 1281 B11R1.167 OC(=O)C1=CN(O)C=CC1=O Amb24062400 [0,1,0,1,0,0|2,0,0]=4 1282 B11R1.167 OC(=O)C1=NC(=O)CC=C1Cl Amb22497440 [0,1,0,1,0,0|1,0,1]=4 1283 B11R1.167 OC(=O)C1=NC(=O)NC=C1Br Amb22500874 [0,1,0,1,0,0|2,0,0]=4 1284 B11R1.167 OC(=O)C1=NC(=O)NC=C1Cl Amb18127341 [0,1,0,1,0,0|2,0,0]=4 1285 B11R1.167 OC(=O)C=1NC(=O)C=CC1F Amb22015213 [0,1,0,1,0,0|1,0,0]=3 1286 B11R1.167 OC(=O)c1[n]c(Br)ccc1Br Amb19959856 [0,1,0,1,0,0|2,0,0]=4 1287 B11R1.167 OC(=O)c1[n]c(Br)ccc1Cl Amb21856413 [0,1,0,1,0,0|2,0,0]=4 1288 B11R1.167 OC(=O)c1[n]c(Br)ccc1F Amb21963438 [0,1,0,1,0,0|2,0,0]=4 1289 B11R1.167 OC(=O)c1[n]c(F)ccc1Br Amb21964207 [0,1,0,1,0,0|2,0,0]=4 1290 B11R1.167 OC(=O)c1[n]c(F)ccc1Cl Amb24648694 [0,1,0,1,0,0|2,0,0]=4 1291 B11R1.167 OC(=O)c1[n]c(F)ccc1I Amb25258545 [0,1,0,1,0,0|2,0,0]=4 1292 B11R1.167 OC(=O)c1[n]c(S)ccc1Cl Amb18945268 [0,1,0,1,0,0|1,1,0]=4 1293 B11R1.167 OC(=O)c1cc(Br)ccc1S Amb18134858 [0,1,0,1,0,0|2,0,0]=4 1294 B11R1.167 OC(=O)c1cc(Cl)ccc1S Amb18279260 [0,1,0,1,0,0|2,0,0]=4 1295 B11R1.167 OC(=O)c1cc(O)ccc1I Amb17938038 [0,1,0,1,0,0|1,0,0]=3 1296 B11R1.167 OC(=O)c1cc(S)ccc1Cl Amb20623491 [0,1,0,1,0,0|1,1,0]=4 1297 B11R1.167 OC(=O)c1cc(S)ccc1F Amb25152849 [0,1,0,1,0,0|1,1,0]=4 1298 B11R1.167 OC(=O)c1cc(S)ccc1S Amb25288094 [0,1,0,1,0,0|1,1,0]=4 1299 B11R1.167 Oc1[n]cc(O)[n]c1C(O)=O Amb25720183 [0,1,0,1,0,0|2,0,0]=4 1300 B11R1.167 Oc1cc(C(=O)Cl)c(Br)cc1 Amb25063344 [0,1,0,1,0,0|2,0,0]=4 1301 B11R1.167 Oc1cc(C(O)=O)c(O)cc1 Amb22337573 [0,1,0,1,0,0|1,0,0]=3 1302 B11R1.167 Oc1cc(c(Br)[n]c1)C(O)=O Amb22494192 [0,1,0,1,0,0|2,0,0]=4 1303 B11R1.167 Oc1cc(c(Cl)[n]c1)C(O)=O Amb18127133 [0,1,0,1,0,0|2,0,0]=4 1304 B11R1.167 Oc1cc(c(Cl)c[n]1)C(O)=O Amb25144003 [0,1,0,1,0,0|2,0,0]=4 1305 B11R1.167 Oc1cc(c(F)c[n]1)C(O)=O Amb24417747 [0,1,0,1,0,0|2,0,0]=4 1306 B11R1.167 Oc1cc[n+](c(c1)C(=O)O)[O-] Amb13887202 [0,1,0,1,0,0|2,0,0]=4 1307 B11R1.167 Oc1ccc(Br)[n]c1C(O)=O Amb19958147 [0,1,0,1,0,0|2,0,0]=4 1308 B11R1.167 Oc1ccc(Br)c([n]1)C(O)=O Amb21857412 [0,1,0,1,0,0|1,0,0]=3 1309 B11R1.167 Oc1ccc(Cl)[n]c1C(O)=O Amb25760648 [0,1,0,1,0,0|2,0,0]=4 1310 B11R1.167 Oc1ccc(F)[n]c1C(O)=O Amb25151163 [0,1,0,1,0,0|2,0,0]=4 1311 B11R1.167 Oc1ccc(c(c1)C(=O)C)O Amb1299878 [0,1,0,1,0,0|2,0,0]=4 1312 B11R1.167 Oc1ccc(c(n1)C(=O)O)C Amb17593822 [0,1,0,1,0,0|1,0,0]=3 1313 B11R1.167 Oc1ncc(c(c1)C(=O)O)Br Amb10070313 [0,1,0,1,0,0|2,0,0]=4 1314 B11R1.167 [O-]C(=O)c1cc(O)ccc1O Amb22330603 [0,1,0,1,0,0|1,0,1]=4 1315 B11R1.645 CC/1=CC(=O)C\C1=C/C(O)=O Amb25298445 [0,1,0,1,0,0|1,0,0]=3 1316 B11R1.645 CC/1=CC(=O)N\C1=C\C(N)=O Amb24509307 [0,1,0,1,0,0|2,0,0]=4 1317 B11R1.645 CC/1=CC(=O)O\C1=C/C(O)=O Amb25363276 [0,1,0,1,0,0|0,0,0]=2 1318 B11R1.645 CC1=CC(=O)OC1=CC(O)=O Amb24726303 [0,1,0,1,0,0|0,0,0]=2 1319 B11R1.645 CC1=CC(=O)OC1CC(O)=O Amb18125925 [0,1,0,1,0,0|0,0,2]=4 1320 B11R1.645 CC=1NC(=O)OC1CC(O)=O Amb18830674 [0,1,0,1,0,0|1,0,1]=4 1321 B11R1.645 Cc1cc(C)c(CC(O)=O)o1 Amb18831041 [0,1,0,1,0,0|1,0,1]=4 1322 B11R1.645 N=C1NC(=O)\C(=C/C(O)=O)\O1 Amb24650019 [0,1,0,1,0,0|2,0,0]=4 1323 B11R1.645 O=C1NC(=O)\C(=C/C(=O)O)\N1 Amb17593889 [0,1,0,1,0,0|2,0,0]=4 1324 B11R1.645 O=C1NC(=O)\C(=C/C(=O)O)\S1 Amb1888938 [0,1,0,1,0,0|1,1,0]=4 1325 B11R1.645 O=C1NC(=O)\C(=C\C(=O)O)\N1 Amb2537145 [0,1,0,1,0,0|2,0,0]=4 1326 B11R1.645 O=C1NC(=O)\C(=C\C(=O)O)\S1 Amb1105841 [0,1,0,1,0,0|1,1,0]=4 1327 B11R1.645 OC(=O)CC1OC(=O)C=C1Br Amb17596018 [0,1,0,1,0,0|0,0,2]=4 1328 B11R1.645 OC(=O)CC1OC(=O)C=C1Cl Amb24426193 [0,1,0,1,0,0|0,0,2]=4 1329 B11R1.645 OC(=O)C[C@@H]1OC(=O)C=C1O Amb24656939 [0,1,0,1,0,0|0,0,2]=4 1330 B11R1.645 OC(=O)\C=C/1\NC(=O)C=C1Cl Amb25249098 [0,1,0,1,0,0|1,0,0]=3 1331 B11R1.645 OC(=O)\C=C/1\OC(=O)C=C1Br Amb25218842 [0,1,0,1,0,0|0,0,0]=2 1332 B11R1.645 OC(=O)\C=C/1\OC(=O)C=C1Cl Amb25322083 [0,1,0,1,0,0|0,0,0]=2 1333 B11R1.645 OC(=O)\C=C/1\OC(=O)C=C1F Amb24518301 [0,1,0,1,0,0|0,0,0]=2 1334 B11R1.645 OC(=O)\C=C\1/OC(=O)C=C1Br Amb25733435 [0,1,0,1,0,0|0,0,0]=2 1335 B11R1.645 OC(=O)\C=C\1/OC(=O)C=C1F Amb24068304 [0,1,0,1,0,0|0,0,0]=2 1336 B11R1.645 OC(=O)\C=C\1/SC(=O)NC1=O Amb22733366 [0,1,0,1,0,0|1,1,0]=4 1337 B11R1.1039 CC1(CC(O)=O)C=CC(=O)O1 Amb18644777 [0,1,0,1,0,0|0,0,2]=4 1338 B11R1.1039 C[C@]1(CC(O)=O)C=CC(=O)O1 Amb25108147 [0,1,0,1,0,0|0,0,2]=4 1339 B11R1.1039 OC(=O)CC1(F)C=CC(=O)O1 Amb25274093 [0,1,0,1,0,0|0,0,2]=4 1340 B11R1.21 CC(=O)C1=CC=C(Br)C(=O)N1 Amb25268623 [0,1,0,1,0,0|2,0,0]=4 1341 B11R1.21 CC(=O)C1=CC=C(C)C(=O)O1 Amb24722786 [0,1,0,1,0,0|1,0,0]=3 1342 B11R1.21 CC(=O)c1ccc(Br)c(O)c1 Amb20407392 [0,1,0,1,0,0|2,0,0]=4 1343 B11R1.21 CC(=O)c1ccc(Cl)c(O)c1 Amb18126734 [0,1,0,1,0,0|2,0,0]=4 1344 B11R1.21 CC(=O)c1ccc(F)c(O)c1 Amb19944608 [0,1,0,1,0,0|2,0,0]=4 1345 B11R1.21 CC(=O)c1ccc(I)c(O)c1 Amb23437508 [0,1,0,1,0,0|2,0,0]=4 1346 B11R1.21 CC(=O)c1ccc(S)c(O)c1 Amb25032471 [0,1,0,1,0,0|2,0,0]=4 1347 B11R1.21 CC(=O)c1ccc(c(c1)O)C Amb17334297 [0,1,0,1,0,0|2,0,0]=4 1348 B11R1.21 CC(=O)c1ccc(c(c1)O)O Amb1240533 [0,1,0,1,0,0|2,0,0]=4 1349 B11R1.21 CC1=CC=C(NC1=O)C(O)=O Amb18125523 [0,1,0,1,0,0|1,0,0]=3 1350 B11R1.21 CC1=CC=C(OC1=O)C(O)=O Amb18644609 [0,1,0,1,0,0|0,0,0]=2 1351 B11R1.21 CN1C=CC(=CC1=O)C(O)=O Amb18949290 [0,1,0,1,0,0|2,0,0]=4 1352 B11R1.21 CN1C=CC(=NC1=O)C(O)=O Amb24425562 [0,1,0,1,0,0|2,0,0]=4 1353 B11R1.21 Cc1[n]c(ccc1Br)C(O)=O Amb22497642 [0,1,0,1,0,0|2,0,0]=4 1354 B11R1.21 Cc1[n]c(ccc1C)C(O)=O Amb18125242 [0,1,0,1,0,0|2,0,0]=4 1355 B11R1.21 Cc1[n]c(ccc1F)C(O)=O Amb21864546 [0,1,0,1,0,0|2,0,0]=4 1356 B11R1.21 Cc1[n]cc([n]c1O)C(O)=O Amb24455153 [0,1,0,1,0,0|2,0,0]=4 1357 B11R1.21 Cc1c[n]c(cc1O)C(O)=O Amb20248033 [0,1,0,1,0,0|2,0,0]=4 1358 B11R1.21 Cc1c[n]c(cc1O)C(O)=O Amb20667840 [0,1,0,1,0,0|2,0,0]=4 1359 B11R1.21 Cc1cc(ccc1S)C(O)=O Amb18948117 [0,1,0,1,0,0|2,0,0]=4 1360 B11R1.21 Cc1ccc([n]c1Br)C(O)=O Amb20248966 [0,1,0,1,0,0|2,0,0]=4 1361 B11R1.21 Cc1ccc([n]c1Cl)C(O)=O Amb19958043 [0,1,0,1,0,0|2,0,0]=4 1362 B11R1.21 Cc1ccc([n]c1F)C(O)=O Amb22235354 [0,1,0,1,0,0|2,0,0]=4 1363 B11R1.21 Cc1ccc([n]c1N)C(O)=O Amb25802260 [0,1,0,1,0,0|2,0,0]=4 1364 B11R1.21 Cc1ccc(cc1S)C(O)=O Amb24054265 [0,1,0,1,0,0|1,1,0]=4 1365 B11R1.21 N=C1C=C(C=CC1=O)C(O)=O Amb24434947 [0,1,0,1,0,0|2,0,0]=4 1366 B11R1.21 N=C1C=CC(=CC1=N)C(O)=O Amb25063156 [0,1,0,1,0,0|2,0,0]=4 1367 B11R1.21 N=C1C=CC(=CC1=O)C(O)=O Amb24669063 [0,1,0,1,0,0|1,0,0]=3 1368 B11R1.21 NC(=O)C1=CC=C(Br)C(=O)N1 Amb22755231 [0,1,0,1,0,0|2,0,0]=4 1369 B11R1.21 NC(=O)c1ccc(Br)c(O)[n]1 Amb22751765 [0,1,0,1,0,0|2,0,0]=4 1370 B11R1.21 NC(=O)c1ccc(Br)c(O)c1 Amb20248961 [0,1,0,1,0,0|2,0,0]=4 1371 B11R1.21 NC(=O)c1ccc(Cl)c(O)c1 Amb22501137 [0,1,0,1,0,0|2,0,0]=4 1372 B11R1.21 NC(=O)c1ccc(F)c(O)c1 Amb23437519 [0,1,0,1,0,0|2,0,0]=4 1373 B11R1.21 NC(=O)c1ccc(c(c1)O)I Amb10604518 [0,1,0,1,0,0|2,0,0]=4 1374 B11R1.21 Nc1[n]c(ccc1Br)C(O)=O Amb22498158 [0,1,0,1,0,0|2,0,0]=4 1375 B11R1.21 Nc1[n]c(ccc1Cl)C(O)=O Amb23589339 [0,1,0,1,0,0|2,0,0]=4 1376 B11R1.21 Nc1[n]c(ccc1O)C(O)=O Amb22235554 [0,1,0,1,0,0|2,0,0]=4 1377 B11R1.21 Nc1[n]cc(cc1O)C(O)=O Amb19879002 [0,1,0,1,0,0|2,0,0]=4 1378 B11R1.21 Nc1c[n]c(cc1O)C(O)=O Amb24520739 [0,1,0,1,0,0|2,0,0]=4 1379 B11R1.21 Nc1cc(ccc1I)C(O)=O Amb20620266 [0,1,0,1,0,0|2,0,0]=4 1380 B11R1.21 Nc1cc(ccc1S)C(O)=O Amb18647177 [0,1,0,1,0,0|2,0,0]=4 1381 B11R1.21 Nc1ccc([n]c1Br)C(O)=O Amb24462272 [0,1,0,1,0,0|2,0,0]=4 1382 B11R1.21 Nc1ccc([n]c1I)C(O)=O Amb24401732 [0,1,0,1,0,0|2,0,0]=4 1383 B11R1.21 Nc1ccc([n]c1O)C(N)=O Amb24433221 [0,1,0,1,0,0|2,0,0]=4 1384 B11R1.21 Nc1ccc(cc1O)C(N)=O Amb23437514 [0,1,0,1,0,0|2,0,0]=4 1385 B11R1.21 Nc1ccc(cc1O)C(O)=O Amb22751271 [0,1,0,1,0,0|1,0,0]=3 1386 B11R1.21 Nc1ccc(cc1S)C(O)=O Amb20668181 [0,1,0,1,0,0|1,1,0]=4 1387 B11R1.21 OC(=O)C1=CC(=O)C(Br)=CN1 Amb24483950 [0,1,0,1,0,0|2,0,0]=4 1388 B11R1.21 OC(=O)C1=CC(=O)C(Br)=CO1 Amb18658338 [0,1,0,1,0,0|2,0,0]=4 1389 B11R1.21 OC(=O)C1=CC(=O)C(O)=CN1 Amb21962527 [0,1,0,1,0,0|2,0,0]=4 1390 B11R1.21 OC(=O)C1=CC(=O)C(O)=CO1 Amb18125912 [0,1,0,1,0,0|2,0,0]=4 1391 B11R1.21 OC(=O)C1=CC=C(Cl)C(=O)N1 Amb21857410 [0,1,0,1,0,0|1,0,0]=3 1392 B11R1.21 OC(=O)C1=CC=C(F)C(=O)N1 Amb22899461 [0,1,0,1,0,0|1,0,0]=3 1393 B11R1.21 OC(=O)C1=CC=C(O)C(=O)N1 Amb24179163 [0,1,0,1,0,0|1,0,0]=3 1394 B11R1.21 OC(=O)C1=CCC(=O)C(=O)O1 Amb25723163 [0,1,0,1,0,0|0,0,1]=3 1395 B11R1.21 OC(=O)C1=CN(O)C(=O)C=C1 Amb18038306 [0,1,0,1,0,0|2,0,0]=4 1396 B11R1.21 OC(=O)C1=CNC(=O)C(O)=C1 Amb22498961 [0,1,0,1,0,0|2,0,0]=4 1397 B11R1.21 OC(=O)C1=COC(=O)C(O)=C1 Amb24677730 [0,1,0,1,0,0|2,0,0]=4 1398 B11R1.21 OC(=O)c1ccc(Br)c(Cl)[n]1 Amb21856995 [0,1,0,1,0,0|2,0,0]=4 1399 B11R1.21 OC(=O)c1ccc(Br)c(I)[n]1 Amb22751236 [0,1,0,1,0,0|2,0,0]=4 1400 B11R1.21 OC(=O)c1ccc(Br)c(I)c1 Amb21963501 [0,1,0,1,0,0|2,0,0]=4 1401 B11R1.21 OC(=O)c1ccc(Br)c(S)c1 Amb23557914 [0,1,0,1,0,0|1,1,0]=4 1402 B11R1.21 OC(=O)c1ccc(Cl)c(Br)[n]1 Amb21961456 [0,1,0,1,0,0|2,0,0]=4 1403 B11R1.21 OC(=O)c1ccc(Cl)c(Cl)[n]1 Amb18129913 [0,1,0,1,0,0|2,0,0]=4 1404 B11R1.21 OC(=O)c1ccc(Cl)c(I)[n]1 Amb25380654 [0,1,0,1,0,0|2,0,0]=4 1405 B11R1.21 OC(=O)c1ccc(Cl)c(S)c1 Amb18650042 [0,1,0,1,0,0|1,1,0]=4 1406 B11R1.21 OC(=O)c1ccc(F)c(Br)[n]1 Amb21856154 [0,1,0,1,0,0|2,0,0]=4 1407 B11R1.21 OC(=O)c1ccc(F)c(Cl)[n]1 Amb20670131 [0,1,0,1,0,0|2,0,0]=4 1408 B11R1.21 OC(=O)c1ccc(F)c(I)[n]1 Amb25675241 [0,1,0,1,0,0|2,0,0]=4 1409 B11R1.21 OC(=O)c1ccc(F)c(S)c1 Amb19374986 [0,1,0,1,0,0|1,1,0]=4 1410 B11R1.21 OC(=O)c1ccc(I)c(Cl)c1 Amb19888183 [0,1,0,1,0,0|2,0,0]=4 1411 B11R1.21 OC(=O)c1ccc(S)c(F)c1 Amb18280497 [0,1,0,1,0,0|2,0,0]=4 1412 B11R1.21 OC(=O)c1ccc(c(c1)C)C Amb2558202 [0,1,0,1,0,0|2,0,0]=4 1413 B11R1.21 OC(=O)c1ccc(c(c1)C)I Amb1060318 [0,1,0,1,0,0|2,0,0]=4 1414 B11R1.21 OC(=O)c1ccc(c(c1)C)N Amb2371743 [0,1,0,1,0,0|2,0,0]=4 1415 B11R1.21 OC(=O)c1ccc(c(c1)Cl)Br Amb10071603 [0,1,0,1,0,0|2,0,0]=4 1416 B11R1.21 OC(=O)c1ccc(c(c1)Cl)S Amb13952299 [0,1,0,1,0,0|2,0,0]=4 1417 B11R1.21 OC(=O)c1ccc(c(c1)F)C Amb1229910 [0,1,0,1,0,0|2,0,0]=4 1418 B11R1.21 OC(=O)c1ccc(c(c1)F)F Amb1218139 [0,1,0,1,0,0|2,0,0]=4 1419 B11R1.21 OC(=O)c1ccc(c(c1)F)O Amb1810752 [0,1,0,1,0,0|2,0,0]=4 1420 B11R1.21 OC(=O)c1ccc(c(c1)I)C Amb1125694 [0,1,0,1,0,0|2,0,0]=4 1421 B11R1.21 OC(=O)c1ccc(c(c1)I)Cl Amb1135958 [0,1,0,1,0,0|2,0,0]=4 1422 B11R1.21 OC(=O)c1ccc(c(c1)I)F Amb10841793 [0,1,0,1,0,0|2,0,0]=4 1423 B11R1.21 OC(=O)c1ccc(c(c1)I)I Amb15690596 [0,1,0,1,0,0|2,0,0]=4 1424 B11R1.21 OC(=O)c1ccc(c(c1)I)N Amb10070341 [0,1,0,1,0,0|2,0,0]=4 1425 B11R1.21 OC(=O)c1ccc(c(c1)N)F Amb10838541 [0,1,0,1,0,0|2,0,0]=4 1426 B11R1.21 OC(=O)c1ccc(c(c1)N)F Amb1980792 [0,1,0,1,0,0|2,0,0]=4 1427 B11R1.21 OC(=O)c1ccc(c(c1)O)Br Amb10072072 [0,1,0,1,0,0|1,0,0]=3 1428 B11R1.21 OC(=O)c1ccc(c(c1)O)C Amb1229982 [0,1,0,1,0,0|1,0,0]=3 1429 B11R1.21 OC(=O)c1ccc(c(c1)O)O Amb1960218 [0,1,0,1,0,0|1,0,0]=3 1430 B11R1.21 OC(=O)c1ccc(c(n1)Br)Br Amb10602808 [0,1,0,1,0,0|2,0,0]=4 1431 B11R1.21 OC(=O)c1ccc(c(n1)N)N Amb17097725 [0,1,0,1,0,0|2,0,0]=4 1432 B11R1.21 OC(=O)c1cnc(c(c1)O)Br Amb13881195 [0,1,0,1,0,0|2,0,0]=4 1433 B11R1.21 OC(=O)c1cnc(c(c1)O)C Amb13881250 [0,1,0,1,0,0|2,0,0]=4 1434 B11R1.21 OC(=O)c1cnc(c(c1)O)I Amb10880793 [0,1,0,1,0,0|2,0,0]=4 1435 B11R1.21 Oc1[n]c([n]cc1F)C(O)=O Amb25151237 [0,1,0,1,0,0|2,0,0]=4 1436 B11R1.21 Oc1[n]c(ccc1Br)C(O)=O Amb20075768 [0,1,0,1,0,0|1,0,0]=3 1437 B11R1.21 Oc1[n]cc([n]c1O)C(O)=O Amb18125913 [0,1,0,1,0,0|2,0,0]=4 1438 B11R1.21 Oc1cc([n]cc1F)C(O)=O Amb24594934 [0,1,0,1,0,0|2,0,0]=4 1439 B11R1.21 Oc1cc(c[n]c1Cl)C(O)=O Amb18197853 [0,1,0,1,0,0|2,0,0]=4 1440 B11R1.21 Oc1cc(c[n]c1F)C(O)=O Amb25152877 [0,1,0,1,0,0|2,0,0]=4 1441 B11R1.21 Oc1cc(ccc1Br)C(=O)Cl Amb25769593 [0,1,0,1,0,0|2,0,0]=4 1442 B11R1.21 Oc1cc(ccc1Cl)C(=O)Cl Amb22736494 [0,1,0,1,0,0|2,0,0]=4 1443 B11R1.21 Oc1cc(ccc1O)C(=O)Cl Amb24085498 [0,1,0,1,0,0|2,0,0]=4 1444 B11R1.21 Oc1cc(ccc1O)C(O)=O Amb20242463 [0,1,0,1,0,0|1,0,0]=3 1445 B11R1.21 Oc1cc(ccc1S)C(O)=O Amb24686672 [0,1,0,1,0,0|1,0,0]=3 1446 B11R1.21 Oc1ccc([n]c1Cl)C(O)=O Amb18127134 [0,1,0,1,0,0|2,0,0]=4 1447 B11R1.21 Oc1ccc([n]c1F)C(O)=O Amb24432150 [0,1,0,1,0,0|2,0,0]=4 1448 B11R1.21 Oc1ccc(cc1Br)C(O)=O Amb24061924 [0,1,0,1,0,0|2,0,0]=4 1449 B11R1.21 Oc1ccc(cc1S)C(O)=O Amb18647318 [0,1,0,1,0,0|1,1,0]=4 1450 B11R1.21 [O-]C(=O)c1ccc(c(c1)O)O Amb15690937 [0,1,0,1,0,0|1,0,1]=4 1451 B11R1.80 CC(=O)\C=C/1\C=C(Cl)C(=O)O1 Amb24486204 [0,1,0,1,0,0|1,0,0]=3 1452 B11R1.80 CC(=O)\C=C\1/C=C(C)C(=O)O1 Amb25151568 [0,1,0,1,0,0|1,0,0]=3 1453 B11R1.80 CC(=O)\C=C\1/C=C(Cl)C(=O)O1 Amb25371870 [0,1,0,1,0,0|1,0,0]=3 1454 B11R1.80 CC(=O)\C=C\1/C=C(O)C(=O)O1 Amb25066325 [0,1,0,1,0,0|1,0,0]=3 1455 B11R1.80 CC1=CC(CC(O)=O)OC1=O Amb18125922 [0,1,0,1,0,0|0,0,2]=4 1456 B11R1.80 CC1=CC(CC1=O)=CC(O)=O Amb25227419 [0,1,0,1,0,0|1,0,0]=3 1457 B11R1.80 CC1=C\C(=C\C(O)=O)\OC1=O Amb25798903 [0,1,0,1,0,0|0,0,0]=2 1458 B11R1.80 CC1=C\C(\CC1=O)=C\C(O)=O Amb25713614 [0,1,0,1,0,0|1,0,0]=3 1459 B11R1.80 Cc1oc(CC(O)=O)cc1N Amb18830914 [0,1,0,1,0,0|1,0,1]=4 1460 B11R1.80 OC(=O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,1,0,1,0,0|0,0,2]=4 1461 B11R1.80 OC(=O)\C=C/1\C=C(F)C(=O)O1 Amb24068307 [0,1,0,1,0,0|0,0,0]=2 1462 B11R1.80 OC(=O)\C=C\1/C=C(Br)C(=O)O1 Amb25759030 [0,1,0,1,0,0|0,0,0]=2 1463 B11R1.80 OC(=O)\C=C\1/C=C(Cl)C(=O)O1 Amb25061140 [0,1,0,1,0,0|0,0,0]=2 1464 B11R1.175 CC(=O)c1[n]c(c[s]1)C(O)=O Amb18198671 [0,1,0,1,0,0|2,0,0]=4 1465 B11R1.175 CC(=O)c1[n]cc([s]1)C(O)=O Amb22002008 [0,1,0,1,0,0|2,0,0]=4 1466 B11R1.175 CC(=O)c1c[nH]c(c1)C(=O)O Amb1155084 [0,1,0,1,0,0|2,0,0]=4 1467 B11R1.175 CC(=O)c1c[s]c(c1)C(O)=O Amb18126670 [0,1,0,1,0,0|2,0,0]=4 1468 B11R1.175 CC(=O)c1cc(c[nH]1)C(O)=O Amb18201196 [0,1,0,1,0,0|2,0,0]=4 1469 B11R1.175 CC(=O)c1cc(co1)C(O)=O Amb25088340 [0,1,0,1,0,0|2,0,0]=4 1470 B11R1.175 CC(=O)c1ccc([nH]1)C(=O)C Amb17593759 [0,1,0,1,0,0|2,0,0]=4 1471 B11R1.175 CC(=O)c1ccc([nH]1)C(N)=O Amb23448349 [0,1,0,1,0,0|2,0,0]=4 1472 B11R1.175 CC(=O)c1ccc([nH]1)C(O)=O Amb22901900 [0,1,0,1,0,0|1,0,0]=3 1473 B11R1.175 CC(=O)c1ccc([s]1)C(=O)Cl Amb24544046 [0,1,0,1,0,0|2,0,0]=4 1474 B11R1.175 CC(=O)c1ccc([s]1)C(N)=O Amb24089234 [0,1,0,1,0,0|2,0,0]=4 1475 B11R1.175 CC(=O)c1ccc(o1)C(=O)Cl Amb24667927 [0,1,0,1,0,0|2,0,0]=4 1476 B11R1.175 CC(=O)c1ccc(o1)C(N)=O Amb22263313 [0,1,0,1,0,0|2,0,0]=4 1477 B11R1.175 CC(=O)c1ccc(o1)C(O)=O Amb18125633 [0,1,0,1,0,0|1,0,0]=3 1478 B11R1.175 ClC(=O)c1ccc(s1)C(=O)Cl Amb1106545 [0,1,0,1,0,0|2,0,0]=4 1479 B11R1.175 NC(=O)c1[n]cc([s]1)C(O)=O Amb24331892 [0,1,0,1,0,0|2,0,0]=4 1480 B11R1.175 NC(=O)c1c[nH]c(c1)C(O)=O Amb20623201 [0,1,0,1,0,0|2,0,0]=4 1481 B11R1.175 NC(=O)c1ccc([nH]1)C(N)=O Amb24087742 [0,1,0,1,0,0|2,0,0]=4 1482 B11R1.175 NC(=O)c1ccc([s]1)C(N)=O Amb24486560 [0,1,0,1,0,0|2,0,0]=4 1483 B11R1.175 NC(=O)c1ccc(o1)C(N)=O Amb24093497 [0,1,0,1,0,0|2,0,0]=4 1484 B11R1.175 NC(=O)c1ccc(o1)C(O)=O Amb18644705 [0,1,0,1,0,0|1,0,0]=3 1485 B11R1.175 NC(=O)c1coc(c1)C(O)=O Amb19374408 [0,1,0,1,0,0|2,0,0]=4 1486 B11R1.175 NC(=O)c1csc(c1)C(=O)O Amb10610105 [0,1,0,1,0,0|2,0,0]=4 1487 B11R1.175 NC(=S)c1ccc([s]1)C(O)=O Amb24757767 [0,1,0,1,0,0|1,1,0]=4 1488 B11R1.175 O=C(Cl)c1ccc([nH]1)C(=O)Cl Amb24484941 [0,1,0,1,0,0|2,0,0]=4 1489 B11R1.175 O=C(Cl)c1ccc(o1)C(=O)Cl Amb24093496 [0,1,0,1,0,0|2,0,0]=4 1490 B11R1.175 OC(=O)C1=CCC(O1)C(O)=O Amb24565706 [0,1,0,1,0,0|0,0,2]=4 1491 B11R1.175 OC(=O)C1C=CC(O1)C(O)=O Amb24433954 [0,1,0,1,0,0|0,0,2]=4 1492 B11R1.175 OC(=O)C=1CC(=NN1)C(O)=O Amb24740714 [0,1,0,1,0,0|2,0,0]=4 1493 B11R1.175 OC(=O)C=1CC(CC1)C(O)=O Amb24365900 [0,1,0,1,0,0|0,0,2]=4 1494 B11R1.175 OC(=O)C=1CC(OC1)C(O)=O Amb25780021 [0,1,0,1,0,0|1,0,1]=4 1495 B11R1.175 OC(=O)c1[nH]c([n][n]1)C(O)=O Amb24360942 [0,1,0,1,0,0|2,0,0]=4 1496 B11R1.175 OC(=O)c1[nH]nc(c1)C(=O)O Amb2435028 [0,1,0,1,0,0|2,0,0]=4 1497 B11R1.175 OC(=O)c1c[nH]c([n]1)C(O)=O Amb23451754 [0,1,0,1,0,0|1,0,0]=3 1498 B11R1.175 OC(=O)c1c[n]c([s]1)C(O)=O Amb24331714 [0,1,0,1,0,0|1,0,0]=3 1499 B11R1.175 OC(=O)c1c[n]c(o1)C(O)=O Amb25270783 [0,1,0,1,0,0|1,0,0]=3 1500 B11R1.175 OC(=O)c1c[s]c([n]1)C(O)=O Amb24739490 [0,1,0,1,0,0|1,0,0]=3 1501 B11R1.175 OC(=O)c1cc([n][nH]1)C(O)=O Amb22750539 [0,1,0,1,0,0|2,0,0]=4 1502 B11R1.175 OC(=O)c1cc(o[n]1)C(O)=O Amb18644889 [0,1,0,1,0,0|2,0,0]=4 1503 B11R1.175 OC(=O)c1ccc([s]1)C(=O)Cl Amb25114139 [0,1,0,1,0,0|1,0,0]=3 1504 B11R1.175 OC(=O)c1ccc([s]1)N(=O)=O Amb22347864 [0,1,0,1,0,0|1,0,1]=4 1505 B11R1.175 OC(=O)c1ccc(o1)C(=O)O Amb2229291 [0,1,0,1,0,0|0,0,0]=2 1506 B11R1.175 OC(=O)c1ccc(o1)C(O)O Amb24638353 [0,1,0,1,0,0|0,0,2]=4 1507 B11R1.175 OC(=O)c1ccc(s1)C(=O)O Amb1149925 [0,1,0,1,0,0|0,0,0]=2 1508 B11R1.175 OC(=O)c1ccc(s1)S(=O)C Amb10817357 [0,1,0,1,0,0|2,0,0]=4 1509 B11R1.175 OC(=O)c1ccc(s1)[N+](=O)[O-] Amb1103228 [0,1,0,1,0,0|1,0,1]=4 1510 B11R1.175 OC(=O)c1scc(c1)C(=O)O Amb13952464 [0,1,0,1,0,0|1,0,0]=3 1511 B11R1.314 C=C(C(O)=O)c1ccc(Br)[s]1 Amb18070697 [0,1,0,1,0,0|1,1,0]=4 1512 B11R1.314 C=C(C(O)=O)c1ccc(Cl)[s]1 Amb18066236 [0,1,0,1,0,0|1,1,0]=4 1513 B11R1.314 CC(=O)C(=O)c1ccc(C)o1 Amb25151649 [0,1,0,1,0,0|2,0,0]=4 1514 B11R1.314 Cc1ccc(o1)C(C)C(O)=O Amb18952039 [0,1,0,1,0,0|1,0,1]=4 1515 B11R1.314 Cc1ccc(o1)C(O)C(O)=O Amb18200290 [0,1,0,1,0,0|1,0,1]=4 1516 B11R1.314 Cc1ccc(o1)C(S)C(O)=O Amb25735523 [0,1,0,1,0,0|1,0,1]=4 1517 B11R1.314 NC(C(O)=O)c1ccc(Br)o1 Amb25823696 [0,1,0,1,0,0|1,0,1]=4 1518 B11R1.314 NC(C(O)=O)c1ccc(Cl)o1 Amb24761476 [0,1,0,1,0,0|1,0,1]=4 1519 B11R1.314 NC(C(O)=O)c1ccc(F)o1 Amb24459738 [0,1,0,1,0,0|1,0,1]=4 1520 B11R1.314 N[C@@H](C(O)=O)c1ccc(Cl)o1 Amb24509059 [0,1,0,1,0,0|1,0,1]=4 1521 B11R1.314 N[C@@H](c1ccc(O)[s]1)C(O)=O Amb25692017 [0,1,0,1,0,0|0,1,1]=4 1522 B11R1.314 N[C@H](C(O)=O)c1ccc(Cl)o1 Amb25077175 [0,1,0,1,0,0|1,0,1]=4 1523 B11R1.314 N[C@H](c1ccc(O)[s]1)C(O)=O Amb24452647 [0,1,0,1,0,0|0,1,1]=4 1524 B11R1.314 Nc1ccc(o1)C(N)C(O)=O Amb25063200 [0,1,0,1,0,0|1,0,1]=4 1525 B11R1.314 O=C(Cl)C(=O)c1ccc(Cl)o1 Amb25241943 [0,1,0,1,0,0|2,0,0]=4 1526 B11R1.314 OC(=O)C(=O)C1=CSC(=O)N1 Amb24543450 [0,1,0,1,0,0|2,0,0]=4 1527 B11R1.314 OC(=O)C(=O)c1ccc(s1)Br Amb17251963 [0,1,0,1,0,0|1,1,0]=4 1528 B11R1.314 OC(=O)C(F)C1C=CC(=O)O1 Amb25245697 [0,1,0,1,0,0|0,0,2]=4 1529 B11R1.314 OC(=O)C(F)c1ccc(Cl)o1 Amb25217875 [0,1,0,1,0,0|1,0,1]=4 1530 B11R1.314 OC(=O)C(O)C1C=CC(=O)O1 Amb24355325 [0,1,0,1,0,0|0,0,2]=4 1531 B11R1.314 OC(=O)[C@@H](Cl)[C@H]1C=CC(=O)O1 Amb24551907 [0,1,0,1,0,0|0,0,2]=4 1532 B11R1.723 CC1(C=CC1C(O)=O)C(O)=O Amb24650921 [0,1,0,1,0,0|0,0,2]=4 1533 B11R2.139 O=C1C=C2NC(=O)C=C2S1 Amb24478371 [0,0,0,2,0,0|1,1,0]=4 1534 B11R2.139 O=C1C=C2OC(=O)C=C2O1 Amb25173926 [0,0,0,2,0,0|0,0,0]=2 1535 B11R2.139 O=C1CC2=CC(=O)CC2=C1 Amb24432105 [0,0,0,2,0,0|2,0,0]=4 1536 B11R2.104 Oc1cccc2C(=O)Cc21 Amb25212012 [0,0,0,2,0,0|2,0,0]=4 1537 B11R2.136 O=C1CC(=C1)C=2CC(=O)C2 Amb25146841 [0,0,0,2,0,0|2,0,0]=4 1538 B7R0.6 CC(=C)\C=C\C(=O)O Amb17593153 [0,0,0,0,2,0|2,0,0]=4 1539 B7R0.6 CC(=O)C=CC(C)=O Amb22346013 [0,0,0,0,2,0|2,0,0]=4 1540 B7R0.6 CC(=O)\C=C/C(C)=O Amb24551133 [0,0,0,0,2,0|2,0,0]=4 1541 B7R0.6 CC(=O)\C=C/C(O)=O Amb24662475 [0,0,0,0,2,0|1,0,0]=3 1542 B7R0.6 CC(=O)\C=C\C(=O)Cl Amb24643241 [0,0,0,0,2,0|2,0,0]=4 1543 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,2,0|2,0,0]=4 1544 B7R0.6 CC(O)\C=C\C(O)=O Amb18641876 [0,0,0,0,2,0|1,0,1]=4 1545 B7R0.6 CS(=O)\C=C\C(O)=O Amb18642965 [0,0,0,0,2,0|2,0,0]=4 1546 B7R0.6 NC(=S)\C=C\C(O)=O Amb25707640 [0,0,0,0,2,0|1,1,0]=4 1547 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [0,0,0,0,2,0|0,0,0]=2 1548 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [0,0,0,0,2,0|0,0,0]=2 1549 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [0,0,0,0,2,0|0,0,2]=4 1550 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [0,0,0,0,2,0|0,0,2]=4 1551 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [0,0,0,0,2,0|0,0,2]=4 1552 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [0,0,0,0,2,0|0,0,2]=4 1553 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [0,0,0,0,2,0|0,0,2]=4 1554 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [0,0,0,0,2,0|1,0,1]=4 1555 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [0,0,0,0,2,0|0,0,2]=4 1556 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [0,0,0,0,2,0|0,0,2]=4 1557 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [0,0,0,0,2,0|0,0,0]=2 1558 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [0,0,0,0,2,0|0,0,0]=2 1559 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [0,0,0,0,2,0|0,0,0]=2 1560 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [0,0,0,0,2,0|0,0,0]=2 1561 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [0,0,0,0,2,0|0,0,0]=2 1562 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [0,0,0,0,2,0|0,0,0]=2 1563 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [0,0,0,0,2,0|0,0,0]=2 1564 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [0,0,0,0,2,0|0,0,0]=2 1565 B7R0.6 OC(=O)\C=C\P(O)=O Amb24622481 [0,0,0,0,2,0|1,0,0]=3 1566 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [0,0,0,0,2,0|0,0,0]=2 1567 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [0,0,0,0,2,0|0,0,0]=2 1568 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [0,0,0,0,2,0|0,0,2]=4 1569 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [0,0,0,0,2,0|0,0,2]=4 1570 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [0,0,0,0,2,0|0,0,0]=2 1571 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [0,0,0,0,2,0|0,0,2]=4 1572 B7R0.6 [O-]C(=O)/C=C/C([O-])=O Amb17942943 [0,0,0,0,2,0|0,0,2]=4 1573 B7R0.6 [O-]C(=O)\C=C/C(O)=O Amb22168115 [0,0,0,0,2,0|0,0,1]=3 1574 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22731335 [0,0,0,0,2,0|0,0,2]=4 1575 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22733809 [0,0,0,0,2,0|0,0,2]=4 1576 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb24325338 [0,0,0,0,2,0|0,0,2]=4 1577 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22043387 [0,0,0,0,2,0|0,0,1]=3 1578 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22734231 [0,0,0,0,2,0|0,0,1]=3 1579 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb20246799 [0,0,0,0,2,0|0,0,2]=4 1580 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22002520 [0,0,0,0,2,0|0,0,2]=4 1581 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22043369 [0,0,0,0,2,0|0,0,2]=4 1582 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22730640 [0,0,0,0,2,0|0,0,2]=4 1583 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22732045 [0,0,0,0,2,0|0,0,2]=4 1584 B7R0.6 [O-][N+](=O)\C=C\C(O)=O Amb25736416 [0,0,0,0,2,0|1,0,1]=4 1585 B11R0.30 CC(=O)O\C=C\C=C\OC(=O)C Amb15693475 [0,0,0,0,0,2|2,0,0]=4 1586 B11R0.30 OC(=O)\C=C\C=CC#CC(O)=O Amb24650001 [0,0,0,0,0,2|0,0,0]=2 1587 B11R0.30 OC(=O)\C=C\C=C\C#CC(O)=O Amb25724898 [0,0,0,0,0,2|0,0,0]=2 1588 B11R0.30 O[13C](=O)CC\C=C\CC[13C](=O)O Amb17618814 [0,0,0,0,0,2|0,0,2]=4