0 B9R0.55 C=C(C)C#C\C=C/C(=O)O Amb27630707 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.55 C=C(C)CO\C=C\C(=O)O Amb18643826 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.55 CC(=O)C\C=C\C=C(C)C Amb24646499 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.55 CC(=O)N\C=C/CC(N)=O Amb27214099 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.55 CC(=O)N\C=C/NC(C)=O Amb27424993 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.55 CC(=O)N\C=C\NC(C)=O Amb27468649 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.55 CC(=O)\C=C/C=C/C(C)=O Amb25877456 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.55 CC(=O)\C=C\C=C\C(=O)O Amb27205327 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.55 CC(=O)\C=C\C=C\C(C)C Amb27615126 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.55 CC(C)=C\C=C/C=C(C)C Amb22641704 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.55 CC(C)=C\C=C\CC(=O)O Amb27473342 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.55 CC(C)\C=C\C=C\C(=O)O Amb25367977 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.55 CC(C)\C=C\C=C\C(N)=O Amb28435289 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.55 CC(O)C#C\C=C\C(=O)O Amb27961415 [0,0,0,0,0,0|1,0,3]=4 18 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [0,0,0,0,0,0|1,0,3]=4 19 B9R0.55 CS(=O)NC\C=C\C(=O)O Amb28195221 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.55 C\C(O)=C\C=C\C=C(/C)O Amb26446577 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.55 NC(=O)N\C=C\NC(N)=O Amb25174416 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.55 NC(=O)N\N=C\CC(=O)O Amb28366218 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.55 NC(=O)\C=C\C=C\C(=O)O Amb27251699 [0,0,0,0,0,0|1,0,0]=1 25 B9R0.55 O=C(Cl)C\C=C\CC(=O)Cl Amb27641016 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,0,0,0,0,0|0,0,4]=4 27 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,0,0,0,0,0|0,0,4]=4 28 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,0,0,0,0,0|0,0,4]=4 29 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,0,0,0,0|0,0,4]=4 30 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,0,0,0,0,0|1,0,3]=4 31 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,0,0,0,0,0|0,0,2]=2 34 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.55 O=C(O)\C=C/C=C\C(=O)O Amb8515202 [0,0,0,0,0,0|0,0,0]=0 37 B9R0.55 O=C(O)\C=C\C=C\C(=O)O Amb31285477 [0,0,0,0,0,0|0,0,0]=0 38 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,0,0,0,0,0|0,0,2]=2 39 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,0,0,0,0|1,0,1]=2 40 B8R0.7 C#C\C=C\C=C\C(C)=O Amb27789857 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.7 C=CC=C=CCC(=O)O Amb28120587 [1,0,0,0,0,0|1,0,2]=4 42 B8R0.7 C=CCC\C=C\C(=O)O Amb25756053 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.7 C=CC\C=C\CC(=O)O Amb18642408 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.7 C=C\C=C\C=C\C(=O)O Amb28346293 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.7 CC(=O)\C=C\C=C\CCl Amb27254525 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.7 CC(C)\C=C\C=C\C=O Amb18642247 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.7 CC\C=C/C=C/C(C)=O Amb27164670 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.7 CC\C=C\C=C\C(=O)O Amb33359031 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.7 CC\C=C\C=C\C(C)=O Amb24667251 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.7 CC\C=C\C=C\C(N)=O Amb27445409 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.7 CO\C=C\C=C\C(=O)O Amb27784611 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.7 CO\C=C\C=C\C(C)=O Amb27875381 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.7 C\C=C\C=C/C=C(C)C Amb22641676 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.7 C\C=C\C=C\CC(C)=O Amb27248237 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.7 C\C=C\C=C\CC(N)=O Amb27251723 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.7 C\C=C\C\C=C\C(=O)O Amb27440048 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.7 NC(=O)\C=C\C=C\CO Amb27469398 [1,0,0,0,0,0|1,0,1]=3 62 B8R0.7 NC\C=C\C=C\C(=O)O Amb25146005 [1,0,0,0,0,0|1,0,1]=3 63 B8R0.7 O=C(O)C\C=C/CCO Amb28410474 [1,0,0,0,0,0|0,0,3]=4 64 B8R0.7 O=C(O)C\C=C\CCO Amb27221056 [1,0,0,0,0,0|0,0,3]=4 65 B8R0.7 O=C(O)\C=C/SCCO Amb27430273 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.7 O=C(O)\C=C\C=C\CO Amb27779174 [1,0,0,0,0,0|0,0,1]=2 67 B8R0.7 O=C(O)\C=C\NCCO Amb28056766 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.7 O=C(O)\C=C\SCCO Amb28281149 [1,0,0,0,0,0|1,0,2]=4 69 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [1,0,0,0,0,0|0,0,2]=3 70 B8R0.7 O=CNC\C=C\C(=O)O Amb28045342 [1,0,0,0,0,0|1,0,1]=3 71 B8R0.7 O=C\C=C\C=C\C(=O)O Amb27420164 [1,0,0,0,0,0|0,0,0]=1 72 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [1,0,0,0,0,0|0,0,2]=3 73 B8R0.7 OC\C=C\C=C\B(O)O Amb27191502 [1,0,0,0,0,0|1,0,2]=4 74 B10R0.55 CC(=C\Cl)\C=C\C=C\C(=O)O Amb28119879 [0,1,0,0,0,0|2,0,0]=3 75 B10R0.55 CC(\C=C\C=C\C(=O)O)CN Amb27671716 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.55 COC(=O)C\C=C/NC(C)=O Amb27882897 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.55 COC(=O)C\C=C\OC(C)=O Amb17778579 [0,1,0,0,0,0|2,0,1]=4 78 B10R0.55 COC(=O)\C=C/C=C\C(C)=O Amb27672212 [0,1,0,0,0,0|1,0,0]=2 79 B10R0.55 COC(=O)\C=C\C=C/C(C)=O Amb27672213 [0,1,0,0,0,0|1,0,0]=2 80 B10R0.55 COC(=O)\C=C\C=C\C(=O)O Amb17593891 [0,1,0,0,0,0|0,0,0]=1 81 B10R0.55 COC(=O)\C=C\C=C\C(C)=O Amb27673586 [0,1,0,0,0,0|1,0,0]=2 82 B10R0.96 C=C(\C=C\C(=O)O)CC(=O)O Amb26659891 [0,1,0,0,0,0|0,0,1]=2 83 B10R0.96 CC(=C/C(=O)O)\N=N\C(N)=O Amb27244572 [0,1,0,0,0,0|3,0,0]=4 84 B10R0.96 CC(=C\C(=O)O)\C=C\C(N)=O Amb27666863 [0,1,0,0,0,0|1,0,0]=2 85 B10R0.96 CC(=C\C(N)=O)\C=C\C(=O)O Amb27195845 [0,1,0,0,0,0|1,0,0]=2 86 B10R0.96 CC(=C\C(N)=O)\C=C\C(N)=O Amb28385648 [0,1,0,0,0,0|2,0,0]=3 87 B10R0.96 CC(=O)CC(=O)\C=C/C(=O)O Amb28080130 [0,1,0,0,0,0|1,0,1]=3 88 B10R0.96 CC(=O)\C=C(O)\C=C\C(=O)O Amb28320353 [0,1,0,0,0,0|1,0,0]=2 89 B10R0.96 CC(=O)\C=C/C(=O)OC(C)=O Amb27672303 [0,1,0,0,0,0|3,0,0]=4 90 B10R0.96 CC(\C=C\C(=O)O)=C/C(C)C Amb25949708 [0,1,0,0,0,0|2,0,1]=4 91 B10R0.96 CC(\C=C\C(C)C)=C/C(=O)O Amb28396597 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.96 NC(=O)NC(=O)\C=C/C(=O)O Amb3739854 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.96 NC(=O)NC(=O)\C=C\C(=O)O Amb6741344 [0,1,0,0,0,0|2,0,0]=3 94 B10R0.96 NC(=O)\C=C/C(=O)NC(N)=O Amb28244600 [0,1,0,0,0,0|3,0,0]=4 95 B10R0.96 NC(=O)\C=C\C(=O)NC(N)=O Amb27658812 [0,1,0,0,0,0|3,0,0]=4 96 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [0,1,0,0,0,0|1,0,2]=4 97 B10R0.96 O=C(O)\C=C\C(Cl)=C/C(=O)O Amb18127800 [0,1,0,0,0,0|0,0,0]=1 98 B10R0.98 CC(=O)NC\C=C(\C)C(=O)O Amb35584803 [0,1,0,0,0,0|2,0,1]=4 99 B10R0.98 CC(=O)\C(C)=C\C=C\C(=O)O Amb28122398 [0,1,0,0,0,0|1,0,0]=2 100 B10R0.98 CC(C)=C\C=C\C(C)C(=O)O Amb26493314 [0,1,0,0,0,0|2,0,1]=4 101 B10R0.98 CC(C)\C(Cl)=C\C=C\C(=O)O Amb27955899 [0,1,0,0,0,0|2,0,1]=4 102 B10R0.98 CC(N\C=C\C(=O)O)C(N)=O Amb27880245 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.98 CC(S\C=C\C(=O)O)C(=O)O Amb18647961 [0,1,0,0,0,0|1,0,1]=3 104 B10R0.98 C\C(=C/CNC(N)=O)C(=O)O Amb35584815 [0,1,0,0,0,0|2,0,1]=4 105 B10R0.98 C\C(=C\C=C\C(N)=O)C(=O)O Amb28142361 [0,1,0,0,0,0|1,0,0]=2 106 B10R0.98 NC(=O)\C=C\C=C(/Br)C(N)=O Amb27620359 [0,1,0,0,0,0|2,0,0]=3 107 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,1,0,0,0,0|0,0,2]=3 108 B10R0.98 O=C(O)CONC(=O)C(=O)O Amb16185780 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,1,0,0,0,0|1,0,2]=4 110 B10R0.98 O=C(O)C\C=C/C(=O)C(=O)O Amb27269966 [0,1,0,0,0,0|0,0,1]=2 111 B10R0.98 O=C(O)\C=C/C=C(/Cl)C(=O)O Amb27166062 [0,1,0,0,0,0|0,0,0]=1 112 B10R0.98 O=C(O)\C=C\C=C(/O)C(=O)O Amb28325659 [0,1,0,0,0,0|0,0,0]=1 113 B10R0.98 O=C(O)\C=N\NC(=O)C(=O)O Amb27592155 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.54 BrC(Br)=Cc1ccc(Br)o1 Amb27617227 [0,0,0,1,0,0|3,0,0]=4 115 B10R1.54 C=C1C=C\C(=C\C(=O)O)O1 Amb27461481 [0,0,0,1,0,0|1,0,0]=2 116 B10R1.54 CC(=O)Cc1ccc(Br)o1 Amb26003095 [0,0,0,1,0,0|2,0,1]=4 117 B10R1.54 CC(=O)Cc1ccc(C)o1 Amb17477800 [0,0,0,1,0,0|2,0,1]=4 118 B10R1.54 CC(=O)Cc1ccc(Cl)o1 Amb33258287 [0,0,0,1,0,0|2,0,1]=4 119 B10R1.54 CC(=O)NC1C=CC(=O)O1 Amb20246300 [0,0,0,1,0,0|2,0,1]=4 120 B10R1.54 CC(=O)OC1C=CC(=O)O1 Amb25367336 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.54 CC(C)\C=C1/C=CC(=O)O1 Amb27239129 [0,0,0,1,0,0|2,0,1]=4 122 B10R1.54 Cc1ccc(C=C(Br)Br)o1 Amb26589521 [0,0,0,1,0,0|3,0,0]=4 123 B10R1.54 Cc1ccc(CC(=O)Cl)o1 Amb27186019 [0,0,0,1,0,0|2,0,1]=4 124 B10R1.54 Cc1ccc(CC(=O)O)o1 Amb18960367 [0,0,0,1,0,0|1,0,1]=3 125 B10R1.54 Cc1ccc(CC(=O)O)s1 Amb2234463 [0,0,0,1,0,0|1,1,1]=4 126 B10R1.54 Cc1ccc(CC(N)=O)o1 Amb28457670 [0,0,0,1,0,0|2,0,1]=4 127 B10R1.54 Cc1cnc(CC(=O)O)o1 Amb18831795 [0,0,0,1,0,0|2,0,1]=4 128 B10R1.54 Cc1ncc(CC(=O)O)o1 Amb18202766 [0,0,0,1,0,0|2,0,1]=4 129 B10R1.54 Nc1ncc(CC(=O)O)o1 Amb18202644 [0,0,0,1,0,0|2,0,1]=4 130 B10R1.54 O=C(O)CC1=CSC(=O)N1 Amb18534615 [0,0,0,1,0,0|2,0,1]=4 131 B10R1.54 O=C(O)CC1=CSC(=O)S1 Amb27955216 [0,0,0,1,0,0|1,1,1]=4 132 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,0,0,1,0,0|0,0,2]=3 133 B10R1.54 O=C(O)Cc1ccc(Br)o1 Amb26028263 [0,0,0,1,0,0|1,0,1]=3 134 B10R1.54 O=C(O)Cc1ccc(Br)s1 Amb2237320 [0,0,0,1,0,0|1,1,1]=4 135 B10R1.54 O=C(O)Cc1ccc(Cl)o1 Amb27868697 [0,0,0,1,0,0|1,0,1]=3 136 B10R1.54 O=C(O)Cc1ccc(Cl)s1 Amb2235520 [0,0,0,1,0,0|1,1,1]=4 137 B10R1.54 O=C(O)Cc1ccc(F)o1 Amb25842555 [0,0,0,1,0,0|1,0,1]=3 138 B10R1.54 O=C(O)Cc1ccc(F)s1 Amb24269131 [0,0,0,1,0,0|1,1,1]=4 139 B10R1.54 O=C(O)Cc1ccc(I)o1 Amb24622567 [0,0,0,1,0,0|1,0,1]=3 140 B10R1.54 O=C(O)Cc1cnc(Cl)o1 Amb28199010 [0,0,0,1,0,0|2,0,1]=4 141 B10R1.54 O=C(O)Cc1cnc(O)s1 Amb27757499 [0,0,0,1,0,0|1,1,1]=4 142 B10R1.54 O=C(O)Cc1nc(O)cs1 Amb35710164 [0,0,0,1,0,0|2,0,1]=4 143 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 Amb18643475 [0,0,0,1,0,0|0,0,0]=1 144 B10R1.54 O=C(O)\C=C1\CCC(=O)O1 Amb27850176 [0,0,0,1,0,0|0,0,2]=3 145 B10R1.71 O=C1C=CC=CC(=O)CC1 Amb27445125 [0,0,0,1,0,0|2,0,0]=3 146 B10R1.113 C=C(C)c1cccc(O)c1 Amb18124424 [0,0,0,1,0,0|3,0,0]=4 147 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Amb33545567 [0,0,0,1,0,0|3,0,0]=4 148 B10R1.113 CC(=O)C1=CC=CC(=O)N1 Amb22372289 [0,0,0,1,0,0|2,0,0]=3 149 B10R1.113 CC(=O)c1cc(O)ccn1 Amb23399916 [0,0,0,1,0,0|3,0,0]=4 150 B10R1.113 CC(=O)c1cccc(Br)c1 Amb2684932 [0,0,0,1,0,0|3,0,0]=4 151 B10R1.113 CC(=O)c1cccc(Br)n1 Amb2786648 [0,0,0,1,0,0|3,0,0]=4 152 B10R1.113 CC(=O)c1cccc(C)c1 Amb3940080 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.113 CC(=O)c1cccc(C)n1 Amb10069245 [0,0,0,1,0,0|3,0,0]=4 154 B10R1.113 CC(=O)c1cccc(Cl)c1 Amb3940078 [0,0,0,1,0,0|3,0,0]=4 155 B10R1.113 CC(=O)c1cccc(Cl)n1 Amb10603338 [0,0,0,1,0,0|3,0,0]=4 156 B10R1.113 CC(=O)c1cccc(F)c1 Amb2688006 [0,0,0,1,0,0|3,0,0]=4 157 B10R1.113 CC(=O)c1cccc(F)n1 Amb21857925 [0,0,0,1,0,0|3,0,0]=4 158 B10R1.113 CC(=O)c1cccc(I)c1 Amb2688831 [0,0,0,1,0,0|3,0,0]=4 159 B10R1.113 CC(=O)c1cccc(N)c1 Amb2684314 [0,0,0,1,0,0|3,0,0]=4 160 B10R1.113 CC(=O)c1cccc(N)n1 Amb23401921 [0,0,0,1,0,0|3,0,0]=4 161 B10R1.113 CC(=O)c1cccc(O)c1 Amb2792768 [0,0,0,1,0,0|2,0,0]=3 162 B10R1.113 CC(=O)c1cccc(S)c1 Amb19374493 [0,0,0,1,0,0|2,1,0]=4 163 B10R1.113 CC(=O)c1ccnc(O)c1 Amb27259914 [0,0,0,1,0,0|3,0,0]=4 164 B10R1.113 CC(=O)c1cncc(O)c1 Amb23399982 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.113 CC(O)c1cccc(O)c1 Amb6705775 [0,0,0,1,0,0|2,0,1]=4 166 B10R1.113 CS(=O)c1cccc(O)c1 Amb26343856 [0,0,0,1,0,0|3,0,0]=4 167 B10R1.113 C[C@@H](O)c1cccc(O)c1 Amb13952964 [0,0,0,1,0,0|2,0,1]=4 168 B10R1.113 C[C@H](O)c1cccc(O)c1 Amb13952963 [0,0,0,1,0,0|2,0,1]=4 169 B10R1.113 C[n+]1cccc(C(=O)O)c1 Amb2609599 [0,0,0,1,0,0|3,0,0]=4 170 B10R1.113 Cc1cc(C(=O)O)ccn1 Amb33313466 [0,0,0,1,0,0|3,0,0]=4 171 B10R1.113 Cc1cc(C(=O)O)ccn1 Amb33545061 [0,0,0,1,0,0|3,0,0]=4 172 B10R1.113 Cc1cccc(C(=O)Br)n1 Amb26869433 [0,0,0,1,0,0|3,0,0]=4 173 B10R1.113 Cc1cccc(C(=O)Cl)c1 Amb3939040 [0,0,0,1,0,0|3,0,0]=4 174 B10R1.113 Cc1cccc(C(=O)Cl)n1 Amb10610376 [0,0,0,1,0,0|3,0,0]=4 175 B10R1.113 Cc1cccc(C(=O)O)c1 Amb2609027 [0,0,0,1,0,0|2,0,0]=3 176 B10R1.113 Cc1cccc(C(=O)O)n1 Amb24081761 [0,0,0,1,0,0|2,0,0]=3 177 B10R1.113 Cc1cccc(C(=O)O)n1 Amb2612995 [0,0,0,1,0,0|2,0,0]=3 178 B10R1.113 Cc1cccc(C(N)=O)c1 Amb2720843 [0,0,0,1,0,0|3,0,0]=4 179 B10R1.113 Cc1cccc(C(N)=O)n1 Amb8858808 [0,0,0,1,0,0|3,0,0]=4 180 B10R1.113 Cc1cccc(C(O)=S)c1 Amb24535989 [0,0,0,1,0,0|2,1,0]=4 181 B10R1.113 Cc1cccc(S(=O)O)c1 Amb18563469 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.113 Cc1cccc(S(=O)O)n1 Amb32992461 [0,0,0,1,0,0|3,0,0]=4 183 B10R1.113 Cc1ccnc(C(=O)O)c1 Amb22490414 [0,0,0,1,0,0|3,0,0]=4 184 B10R1.113 Cc1ccnc(C(=O)O)c1 Amb2795204 [0,0,0,1,0,0|3,0,0]=4 185 B10R1.113 Cc1ccnc(C(=O)O)n1 Amb33204433 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.113 Cc1ccnc(C(=O)O)n1 Amb8010644 [0,0,0,1,0,0|3,0,0]=4 187 B10R1.113 Cc1cncc(C(=O)O)c1 Amb10068354 [0,0,0,1,0,0|3,0,0]=4 188 B10R1.113 Cc1cncc(C(=O)O)c1 Amb2694191 [0,0,0,1,0,0|3,0,0]=4 189 B10R1.113 Cc1cncc(C(=O)O)n1 Amb8011544 [0,0,0,1,0,0|3,0,0]=4 190 B10R1.113 Cc1nccc(C(=O)O)n1 Amb10602122 [0,0,0,1,0,0|3,0,0]=4 191 B10R1.113 N=C(N)C1=CC=CC(=O)N1 Amb32708546 [0,0,0,1,0,0|3,0,0]=4 192 B10R1.113 N=C(N)c1cccc(O)c1 Amb33552630 [0,0,0,1,0,0|3,0,0]=4 193 B10R1.113 N=C(N)c1cccc(O)c1 Amb8831695 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.113 NC(=O)C1=NC(=O)NC=C1 Amb22501031 [0,0,0,1,0,0|3,0,0]=4 195 B10R1.113 NC(=O)c1cccc(Br)c1 Amb2716206 [0,0,0,1,0,0|3,0,0]=4 196 B10R1.113 NC(=O)c1cccc(Br)n1 Amb10068098 [0,0,0,1,0,0|3,0,0]=4 197 B10R1.113 NC(=O)c1cccc(Cl)c1 Amb1218066 [0,0,0,1,0,0|3,0,0]=4 198 B10R1.113 NC(=O)c1cccc(Cl)n1 Amb4317884 [0,0,0,1,0,0|3,0,0]=4 199 B10R1.113 NC(=O)c1cccc(F)c1 Amb3886563 [0,0,0,1,0,0|3,0,0]=4 200 B10R1.113 NC(=O)c1cccc(F)n1 Amb10607167 [0,0,0,1,0,0|3,0,0]=4 201 B10R1.113 NC(=O)c1cccc(I)c1 Amb3887764 [0,0,0,1,0,0|3,0,0]=4 202 B10R1.113 NC(=O)c1cccc(N)c1 Amb1106189 [0,0,0,1,0,0|3,0,0]=4 203 B10R1.113 NC(=O)c1cccc(N)n1 Amb18279842 [0,0,0,1,0,0|3,0,0]=4 204 B10R1.113 NC(=O)c1cccc(O)c1 Amb3939531 [0,0,0,1,0,0|2,0,0]=3 205 B10R1.113 NC(=O)c1cccc(O)n1 Amb24182048 [0,0,0,1,0,0|2,0,0]=3 206 B10R1.113 NC(=O)c1cccc(S)c1 Amb24059371 [0,0,0,1,0,0|2,1,0]=4 207 B10R1.113 NC(=O)c1cncc(O)c1 Amb33541953 [0,0,0,1,0,0|3,0,0]=4 208 B10R1.113 NC(=S)c1cccc(O)c1 Amb2688797 [0,0,0,1,0,0|2,1,0]=4 209 B10R1.113 Nc1cc(C(=O)O)ccn1 Amb842470 [0,0,0,1,0,0|3,0,0]=4 210 B10R1.113 Nc1cc(C(=O)O)ccn1 Amb8503396 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.113 Nc1cccc(C(=O)O)c1 Amb1935166 [0,0,0,1,0,0|2,0,0]=3 212 B10R1.113 Nc1cccc(C(=O)O)n1 Amb1235493 [0,0,0,1,0,0|2,0,0]=3 213 B10R1.113 Nc1cccc([PH](=O)O)c1 Amb27823374 [0,0,0,1,0,0|3,0,0]=4 214 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb19958023 [0,0,0,1,0,0|3,0,0]=4 215 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb2794992 [0,0,0,1,0,0|3,0,0]=4 216 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb30588548 [0,0,0,1,0,0|3,0,0]=4 217 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb30640048 [0,0,0,1,0,0|3,0,0]=4 218 B10R1.113 Nc1ccnc(C(=O)O)n1 Amb18202983 [0,0,0,1,0,0|3,0,0]=4 219 B10R1.113 Nc1cncc(C(=O)O)c1 Amb535918 [0,0,0,1,0,0|3,0,0]=4 220 B10R1.113 Nc1cncc(C(=O)O)n1 Amb18643357 [0,0,0,1,0,0|3,0,0]=4 221 B10R1.113 Nc1nccc(C(=O)O)n1 Amb8630057 [0,0,0,1,0,0|3,0,0]=4 222 B10R1.113 O=C(Br)c1cccc(Br)c1 Amb27633153 [0,0,0,1,0,0|3,0,0]=4 223 B10R1.113 O=C(Cl)c1cc(O)ccn1 Amb27199840 [0,0,0,1,0,0|3,0,0]=4 224 B10R1.113 O=C(Cl)c1cccc(Br)c1 Amb2691918 [0,0,0,1,0,0|3,0,0]=4 225 B10R1.113 O=C(Cl)c1cccc(Br)n1 Amb24077446 [0,0,0,1,0,0|3,0,0]=4 226 B10R1.113 O=C(Cl)c1cccc(Cl)c1 Amb3939312 [0,0,0,1,0,0|3,0,0]=4 227 B10R1.113 O=C(Cl)c1cccc(Cl)n1 Amb33542843 [0,0,0,1,0,0|3,0,0]=4 228 B10R1.113 O=C(Cl)c1cccc(F)c1 Amb2688033 [0,0,0,1,0,0|3,0,0]=4 229 B10R1.113 O=C(Cl)c1cccc(F)n1 Amb2688410 [0,0,0,1,0,0|3,0,0]=4 230 B10R1.113 O=C(Cl)c1cccc(I)c1 Amb3939575 [0,0,0,1,0,0|3,0,0]=4 231 B10R1.113 O=C(Cl)c1cncc(O)n1 Amb25974928 [0,0,0,1,0,0|3,0,0]=4 232 B10R1.113 O=C(F)c1cccc(Br)c1 Amb28315574 [0,0,0,1,0,0|3,0,0]=4 233 B10R1.113 O=C(F)c1cccc(Cl)c1 Amb28046129 [0,0,0,1,0,0|3,0,0]=4 234 B10R1.113 O=C(O)C1=CC(=S)NC=C1 Amb19514542 [0,0,0,1,0,0|2,1,0]=4 235 B10R1.113 O=C(O)c1cc(Br)ccn1 Amb2541475 [0,0,0,1,0,0|3,0,0]=4 236 B10R1.113 O=C(O)c1cc(Cl)ccn1 Amb1106613 [0,0,0,1,0,0|3,0,0]=4 237 B10R1.113 O=C(O)c1cc(F)ccn1 Amb19958323 [0,0,0,1,0,0|3,0,0]=4 238 B10R1.113 O=C(O)c1cc(I)ccn1 Amb10975473 [0,0,0,1,0,0|3,0,0]=4 239 B10R1.113 O=C(O)c1cc(I)ccn1 Amb2540668 [0,0,0,1,0,0|3,0,0]=4 240 B10R1.113 O=C(O)c1cc(O)ccn1 Amb1303199 [0,0,0,1,0,0|2,0,0]=3 241 B10R1.113 O=C(O)c1cc(O)ncn1 Amb2591546 [0,0,0,1,0,0|3,0,0]=4 242 B10R1.113 O=C(O)c1cc(S)ccn1 Amb18278971 [0,0,0,1,0,0|2,1,0]=4 243 B10R1.113 O=C(O)c1cccc(Br)c1 Amb264315 [0,0,0,1,0,0|2,0,0]=3 244 B10R1.113 O=C(O)c1cccc(Br)n1 Amb2610030 [0,0,0,1,0,0|2,0,0]=3 245 B10R1.113 O=C(O)c1cccc(Cl)c1 Amb2223069 [0,0,0,1,0,0|2,0,0]=3 246 B10R1.113 O=C(O)c1cccc(Cl)n1 Amb33544792 [0,0,0,1,0,0|2,0,0]=3 247 B10R1.113 O=C(O)c1cccc(F)c1 Amb2688023 [0,0,0,1,0,0|2,0,0]=3 248 B10R1.113 O=C(O)c1cccc(F)c1 Amb33513022 [0,0,0,1,0,0|2,0,0]=3 249 B10R1.113 O=C(O)c1cccc(F)n1 Amb2688411 [0,0,0,1,0,0|2,0,0]=3 250 B10R1.113 O=C(O)c1cccc(I)c1 Amb6456607 [0,0,0,1,0,0|2,0,0]=3 251 B10R1.113 O=C(O)c1cccc(I)n1 Amb6565075 [0,0,0,1,0,0|2,0,0]=3 252 B10R1.113 O=C(O)c1cccc(O)c1 Amb1208301 [0,0,0,1,0,0|1,0,0]=2 253 B10R1.113 O=C(O)c1cccc(O)n1 Amb535788 [0,0,0,1,0,0|1,0,0]=2 254 B10R1.113 O=C(O)c1cccc(S)c1 Amb5721847 [0,0,0,1,0,0|1,1,0]=3 255 B10R1.113 O=C(O)c1cccc(S)n1 Amb1208363 [0,0,0,1,0,0|1,1,0]=3 256 B10R1.113 O=C(O)c1cccn(=O)c1 Amb17749046 [0,0,0,1,0,0|2,0,0]=3 257 B10R1.113 O=C(O)c1ccnc(Br)c1 Amb1353186 [0,0,0,1,0,0|3,0,0]=4 258 B10R1.113 O=C(O)c1ccnc(Br)n1 Amb22499757 [0,0,0,1,0,0|3,0,0]=4 259 B10R1.113 O=C(O)c1ccnc(Cl)c1 Amb1221736 [0,0,0,1,0,0|3,0,0]=4 260 B10R1.113 O=C(O)c1ccnc(Cl)n1 Amb33544410 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.113 O=C(O)c1ccnc(F)c1 Amb2447269 [0,0,0,1,0,0|3,0,0]=4 262 B10R1.113 O=C(O)c1ccnc(F)n1 Amb27488035 [0,0,0,1,0,0|3,0,0]=4 263 B10R1.113 O=C(O)c1ccnc(I)c1 Amb6565049 [0,0,0,1,0,0|3,0,0]=4 264 B10R1.113 O=C(O)c1ccnc(O)c1 Amb842469 [0,0,0,1,0,0|2,0,0]=3 265 B10R1.113 O=C(O)c1ccnc(O)n1 Amb21927951 [0,0,0,1,0,0|2,0,0]=3 266 B10R1.113 O=C(O)c1ccnc(S)n1 Amb18200233 [0,0,0,1,0,0|2,1,0]=4 267 B10R1.113 O=C(O)c1cncc(Br)c1 Amb1232836 [0,0,0,1,0,0|3,0,0]=4 268 B10R1.113 O=C(O)c1cncc(Br)n1 Amb22728068 [0,0,0,1,0,0|3,0,0]=4 269 B10R1.113 O=C(O)c1cncc(Cl)c1 Amb2540665 [0,0,0,1,0,0|3,0,0]=4 270 B10R1.113 O=C(O)c1cncc(Cl)n1 Amb10067218 [0,0,0,1,0,0|3,0,0]=4 271 B10R1.113 O=C(O)c1cncc(F)c1 Amb8009491 [0,0,0,1,0,0|3,0,0]=4 272 B10R1.113 O=C(O)c1cncc(F)n1 Amb21961694 [0,0,0,1,0,0|3,0,0]=4 273 B10R1.113 O=C(O)c1cncc(I)c1 Amb8630991 [0,0,0,1,0,0|3,0,0]=4 274 B10R1.113 O=C(O)c1cncc(O)c1 Amb2610681 [0,0,0,1,0,0|2,0,0]=3 275 B10R1.113 O=C(O)c1cncc(S)c1 Amb26366326 [0,0,0,1,0,0|2,1,0]=4 276 B10R1.113 O=C(O)c1cncc(S)c1 Amb28555512 [0,0,0,1,0,0|2,1,0]=4 277 B10R1.113 O=C(O)c1nccc(Br)n1 Amb25375744 [0,0,0,1,0,0|3,0,0]=4 278 B10R1.113 O=C(O)c1nccc(Cl)n1 Amb20241397 [0,0,0,1,0,0|3,0,0]=4 279 B10R1.113 O=C(O)c1nccc(F)n1 Amb27224179 [0,0,0,1,0,0|3,0,0]=4 280 B10R1.113 O=C([O-])c1cccc(F)c1 Amb8397064 [0,0,0,1,0,0|2,0,1]=4 281 B10R1.113 O=C([O-])c1cccc(O)c1 Amb22277134 [0,0,0,1,0,0|1,0,1]=3 282 B10R1.113 O=C([O-])c1cncc(O)n1 Amb33544286 [0,0,0,1,0,0|2,0,1]=4 283 B10R1.113 O=C1C=C(C(=O)O)C=CN1 Amb18124536 [0,0,0,1,0,0|2,0,0]=3 284 B10R1.113 O=C1C=C(C(=O)O)C=NN1 Amb19894955 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.113 O=C1C=C(C(=O)O)N=CN1 Amb18062111 [0,0,0,1,0,0|3,0,0]=4 286 B10R1.113 O=C1C=CC=C(C(=O)O)N1 Amb19514344 [0,0,0,1,0,0|1,0,0]=2 287 B10R1.113 O=C1C=CC=C(C(=O)O)O1 Amb33533266 [0,0,0,1,0,0|0,0,0]=1 288 B10R1.113 O=C1C=CC=C([N+](=O)[O-])N1 Amb23401202 [0,0,0,1,0,0|2,0,1]=4 289 B10R1.113 O=C1C=CCC(C(=O)O)C1 Amb18643491 [0,0,0,1,0,0|1,0,2]=4 290 B10R1.113 O=C1C=CC[C@@H](C(=O)O)N1 Amb26347336 [0,0,0,1,0,0|1,0,2]=4 291 B10R1.113 O=C1C=CNC(C(=O)O)=C1 Amb18832139 [0,0,0,1,0,0|2,0,0]=3 292 B10R1.113 O=C1C=COC(C(=O)Cl)=C1 Amb25067758 [0,0,0,1,0,0|3,0,0]=4 293 B10R1.113 O=C1C=COC(C(=O)O)=C1 Amb18643476 [0,0,0,1,0,0|2,0,0]=3 294 B10R1.113 O=C1C=NC=C(C(=O)O)N1 Amb22011470 [0,0,0,1,0,0|2,0,0]=3 295 B10R1.113 O=C1CC(C(=O)O)=CC=N1 Amb2783836 [0,0,0,1,0,0|2,0,0]=3 296 B10R1.113 O=C1CC=CC(C(=O)O)N1 Amb27785978 [0,0,0,1,0,0|1,0,2]=4 297 B10R1.113 O=C1CCC=C(C(=O)O)C1 Amb2699959 [0,0,0,1,0,0|1,0,2]=4 298 B10R1.113 O=C1N=CC=C(C(=O)O)N1 Amb19957719 [0,0,0,1,0,0|2,0,0]=3 299 B10R1.113 O=C1N=CC=C(S(=O)O)N1 Amb27813744 [0,0,0,1,0,0|3,0,0]=4 300 B10R1.113 O=C1NCC=C(C(=O)O)N1 Amb28293127 [0,0,0,1,0,0|2,0,1]=4 301 B10R1.113 O=N(=O)c1cccc(O)c1 Amb20621867 [0,0,0,1,0,0|2,0,1]=4 302 B10R1.113 O=S(O)c1cccc(Cl)c1 Amb18564048 [0,0,0,1,0,0|3,0,0]=4 303 B10R1.113 O=S(O)c1cccc(Cl)n1 Amb32992465 [0,0,0,1,0,0|3,0,0]=4 304 B10R1.113 O=S(O)c1cccc(F)c1 Amb25263422 [0,0,0,1,0,0|3,0,0]=4 305 B10R1.113 O=S([O-])c1cccc(O)c1 Amb27823656 [0,0,0,1,0,0|2,0,1]=4 306 B10R1.113 O=[N+]([O-])c1cccc(O)c1 Amb1929299 [0,0,0,1,0,0|2,0,1]=4 307 B10R1.113 OB(O)c1cccc(O)c1 Amb2447025 [0,0,0,1,0,0|2,0,1]=4 308 B10R1.113 OB(O)c1cccc(O)n1 Amb20621448 [0,0,0,1,0,0|2,0,1]=4 309 B10R1.113 Oc1cccc(Br(O)O)n1 Amb28124569 [0,0,0,1,0,0|2,0,1]=4 310 B10R1.113 [NH3+]c1cccc(C(=O)O)c1 Amb6365978 [0,0,0,1,0,0|2,0,0]=3 311 B10R1.361 O=C(O)C1=C(C(=O)O)CC1 Amb24615623 [0,0,0,1,0,0|0,0,2]=3 312 B10R1.361 O=C(O)[C@@H]1C=C[C@H]1C(=O)O Amb27469606 [0,0,0,1,0,0|0,0,2]=3 313 B10R1.361 O=C(O)[C@H]1C=C[C@H]1C(=O)O Amb27831905 [0,0,0,1,0,0|0,0,2]=3 314 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [0,0,0,1,0,0|0,0,2]=3 315 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,0,0,0,1,0|2,0,1]=4 316 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,0,0,0,1,0|2,0,1]=4 317 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,0,0,0,1,0|3,0,0]=4 318 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,0,0,0,1,0|2,0,0]=3 319 B8R0.28 CC(=O)\C=C/C=C(C)C Amb28198620 [0,0,0,0,1,0|3,0,0]=4 320 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [0,0,0,0,1,0|3,0,0]=4 321 B8R0.28 CC(=O)\C=C\C=C(C)C Amb26890921 [0,0,0,0,1,0|3,0,0]=4 322 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,0,0,1,0|1,0,1]=3 323 B8R0.28 CC(C)=C\C=C\C(=O)O Amb18642414 [0,0,0,0,1,0|2,0,0]=3 324 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,0,0,0,1,0|1,0,2]=4 325 B8R0.28 C\C(O)=C/C=C/C(C)O Amb27776889 [0,0,0,0,1,0|2,0,1]=4 326 B8R0.28 C\C(O)=C\C=C/C(C)O Amb28076045 [0,0,0,0,1,0|2,0,1]=4 327 B8R0.28 C\C(O)=C\C=C\C(C)O Amb27848184 [0,0,0,0,1,0|2,0,1]=4 328 B8R0.28 N=C(N)S\C=C/C(=O)O Amb28314144 [0,0,0,0,1,0|3,0,0]=4 329 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,0,0,0,1,0|2,0,0]=3 330 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,0,0,0,1,0|2,0,0]=3 331 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,1,0|3,0,0]=4 332 B8R0.28 NC(=S)S\C=C/C(=O)O Amb28325316 [0,0,0,0,1,0|2,1,0]=4 333 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [0,0,0,0,1,0|2,1,0]=4 334 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,0,0,0,1,0|0,0,1]=2 335 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,1,0|0,0,3]=4 336 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,1,0|1,0,2]=4 337 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,1,0|1,0,2]=4 338 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,1,0|1,0,2]=4 339 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,1,0|0,0,1]=2 340 B8R0.28 O=C(O)\C=C\C=C(Cl)Cl Amb27478030 [0,0,0,0,1,0|2,0,0]=3 341 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,1,0|0,0,1]=2 342 B10R0.97 CC(=O)N\C=C\C=C\C(=O)O Amb27983773 [0,0,0,0,0,1|1,0,0]=2 343 B10R0.97 CC(=O)N\C=N\C=C\C(=O)O Amb27659308 [0,0,0,0,0,1|2,0,0]=3 344 B10R0.97 CC(=O)\C=C\O\C=C\C(C)=O Amb27672613 [0,0,0,0,0,1|2,0,0]=3 345 B10R0.97 CC(C)=CCC\C=C\C(=O)O Amb18125771 [0,0,0,0,0,1|2,0,1]=4 346 B10R0.97 CC(C)=CCN\C=C\C(=O)O Amb28365686 [0,0,0,0,0,1|2,0,1]=4 347 B10R0.97 CC(C)=C\C=C\C=C\C(=O)O Amb28396656 [0,0,0,0,0,1|2,0,0]=3 348 B10R0.97 CC(C)C\C=C\C=C/C(=O)O Amb27269203 [0,0,0,0,0,1|2,0,1]=4 349 B10R0.97 CC(C)O\C=C\C=C\C(=O)O Amb27990200 [0,0,0,0,0,1|2,0,1]=4 350 B10R0.97 NC(=O)CON\C=C\C(=O)O Amb28386729 [0,0,0,0,0,1|2,0,1]=4 351 B10R0.97 NC(=O)N\N=C\C=C\C(=O)O Amb27657845 [0,0,0,0,0,1|2,0,0]=3 352 B10R0.97 O=C(O)\C=C\C=C\C=C(Cl)Cl Amb27444931 [0,0,0,0,0,1|2,0,0]=3 353 B10R0.97 O=C(O)\C=C\C=C\CC(=O)O Amb27990006 [0,0,0,0,0,1|0,0,0]=1 354 B10R0.97 O=C(O)\C=C\NCC=C(Cl)Cl Amb35683851 [0,0,0,0,0,1|2,0,1]=4 355 B7R0.1 B\C=C\C=C\C=C\N Amb28068718 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.1 C#C\C=C\C=C\C=O Amb27968252 [2,0,0,0,0,0|1,0,1]=4 357 B7R0.1 C=C\C=C/C=C/C=O Amb27166172 [2,0,0,0,0,0|1,0,0]=3 358 B7R0.1 CC\C=C\C=C\C=O Amb8392847 [2,0,0,0,0,0|1,0,1]=4 359 B7R0.1 C\C=C\C\C=C\C=O Amb27202097 [2,0,0,0,0,0|1,0,1]=4 360 B7R0.1 Cl\C=C/C=C/C=C/Br Amb28325602 [2,0,0,0,0,0|2,0,0]=4 361 B7R0.1 Cl\C=C\C=C\C=C\Br Amb27192169 [2,0,0,0,0,0|2,0,0]=4 362 B7R0.1 O=CC\C=C\C=C\Br Amb27222551 [2,0,0,0,0,0|1,0,1]=4 363 B7R0.1 O=CC\C=C\CC=O Amb26402388 [2,0,0,0,0,0|0,0,2]=4 364 B7R0.1 O=C\C=C/C=C/C=O Amb17593128 [2,0,0,0,0,0|0,0,0]=2 365 B7R0.1 O=C\C=C\C=C\C=O Amb25209344 [2,0,0,0,0,0|0,0,0]=2 366 B7R0.1 O=C\C=C\C=C\CCl Amb28292786 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.1 O=C\C=C\C=C\CO Amb27424442 [2,0,0,0,0,0|0,0,1]=3 368 B7R0.1 O=C\C=C\CCC=O Amb18124241 [2,0,0,0,0,0|0,0,2]=4 369 B7R0.1 OC\C=C/C=C\CO Amb26515771 [2,0,0,0,0,0|0,0,2]=4 370 B7R0.1 OC\C=C\C=C\CO Amb33328625 [2,0,0,0,0,0|0,0,2]=4 371 B7R0.1 O\C=C\C=C\CCO Amb27605420 [2,0,0,0,0,0|0,0,2]=4 372 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [2,0,0,0,0,0|0,0,1]=3 373 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [2,0,0,0,0,0|1,0,1]=4 374 B7R0.4 CC(=O)\C=C/C=C\Br Amb27858614 [2,0,0,0,0,0|2,0,0]=4 375 B7R0.4 CC(=O)\C=C\C=C\Cl Amb27233379 [2,0,0,0,0,0|2,0,0]=4 376 B7R0.4 CC(C)=C\C=C/C=O Amb27169113 [2,0,0,0,0,0|2,0,0]=4 377 B7R0.4 C\C=C/C=C/C(C)=O Amb28129038 [2,0,0,0,0,0|1,0,1]=4 378 B7R0.4 C\C=C\C=C\C(=O)Cl Amb32664141 [2,0,0,0,0,0|1,0,1]=4 379 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [2,0,0,0,0,0|0,0,1]=3 380 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33512746 [2,0,0,0,0,0|0,0,2]=4 381 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33723188 [2,0,0,0,0,0|0,0,2]=4 382 B7R0.4 C\C=C\C=C\C(C)=O Amb17593137 [2,0,0,0,0,0|1,0,1]=4 383 B7R0.4 C\C=C\C=C\C(N)=O Amb28400805 [2,0,0,0,0,0|1,0,1]=4 384 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [2,0,0,0,0,0|0,0,2]=4 385 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [2,0,0,0,0,0|1,0,0]=3 386 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [2,0,0,0,0,0|1,0,0]=3 387 B9R0.1 C=C\C(C)=C\C=C\C(C)=O Amb28202360 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.1 CC(=O)\C=C\C=C(/C)C=O Amb10068394 [1,1,0,0,0,0|1,0,0]=3 389 B9R0.1 C\C(=C\C=C\C(=O)O)CO Amb27975896 [1,1,0,0,0,0|0,0,1]=3 390 B9R0.1 O=C\C(Cl)=C\C=C\C(=O)O Amb28458190 [1,1,0,0,0,0|0,0,0]=2 391 B9R0.2 C=C\C=C\C=C\CC(C)=O Amb27823042 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.2 CC(=O)N\C=C\C=C\C=O Amb27881539 [1,1,0,0,0,0|1,0,0]=3 393 B9R0.2 CC(=O)O\C=C\C=C\CO Amb28453851 [1,1,0,0,0,0|1,0,1]=4 394 B9R0.2 CC(=O)\C=C\C=C/C=C=O Amb27839053 [1,1,0,0,0,0|1,0,0]=3 395 B9R0.2 CC(=O)\C=C\C=C\C=C=O Amb27878921 [1,1,0,0,0,0|1,0,0]=3 396 B9R0.2 CC(=O)\C=C\C=C\C=C\Cl Amb28125315 [1,1,0,0,0,0|2,0,0]=4 397 B9R0.2 CC(C)=C\C=C\C=C\C=O Amb28287071 [1,1,0,0,0,0|2,0,0]=4 398 B9R0.2 CCC\C=C\C=C\C(=O)O Amb32953792 [1,1,0,0,0,0|1,0,1]=4 399 B9R0.2 CCS\C=C\C=C\C(=O)O Amb27471801 [1,1,0,0,0,0|1,0,1]=4 400 B9R0.2 COC\C=C\C=C\C(=O)O Amb28058297 [1,1,0,0,0,0|0,0,1]=3 401 B9R0.2 CO\C=C\C=C\CC(=O)O Amb27874074 [1,1,0,0,0,0|0,0,1]=3 402 B9R0.2 C\C=C\C=C\C#CC(=O)O Amb17593444 [1,1,0,0,0,0|1,0,1]=4 403 B9R0.2 C\C=C\C=C\C=C\C(=O)O Amb3987814 [1,1,0,0,0,0|1,0,0]=3 404 B9R0.2 C\C=C\C=C\C=C\C(N)=O Amb27202742 [1,1,0,0,0,0|2,0,0]=4 405 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [1,1,0,0,0,0|1,0,1]=4 406 B9R0.2 O=COC\C=C\CC(=O)O Amb27619648 [1,1,0,0,0,0|0,0,2]=4 407 B9R0.4 CC(=O)CC(=O)\C=C\C=O Amb26592201 [1,1,0,0,0,0|1,0,1]=4 408 B9R0.4 CC(=O)OC(=O)\C=C/C=O Amb28049872 [1,1,0,0,0,0|2,0,0]=4 409 B9R0.4 CC(=O)OC(=O)\C=C\C=O Amb27881869 [1,1,0,0,0,0|2,0,0]=4 410 B9R0.4 CC(=O)\C=C(C)/C=C/C=O Amb27471937 [1,1,0,0,0,0|1,0,0]=3 411 B9R0.4 CC(\C=C\C=O)=C/C(=O)O Amb27663875 [1,1,0,0,0,0|0,0,0]=2 412 B9R0.4 CC\C=C\C(C)=C\C(=O)O Amb35734787 [1,1,0,0,0,0|1,0,1]=4 413 B9R0.46 COC(=O)\C=C\C=C\C=O Amb18643494 [1,1,0,0,0,0|0,0,0]=2 414 B9R0.46 COC(=O)\C=C\C=C\CBr Amb27801010 [1,1,0,0,0,0|1,0,1]=4 415 B9R0.46 COC(=O)\C=C\C=C\CCl Amb27204912 [1,1,0,0,0,0|1,0,1]=4 416 B9R0.46 C\C(=C/C=C/C=C/Cl)CO Amb27432930 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.46 C\C=C\C=C\C=C(/C)CO Amb27452066 [1,1,0,0,0,0|2,0,0]=4 418 B9R0.46 C\C=C\C\C=C\C(=O)OC Amb27422431 [1,1,0,0,0,0|1,0,1]=4 419 B9R0.47 C#C\C=C\C=C(/C)C(=O)O Amb27467451 [1,1,0,0,0,0|1,0,1]=4 420 B9R0.47 CC(=O)\C(C)=C\C=C\C=O Amb27491634 [1,1,0,0,0,0|1,0,0]=3 421 B9R0.47 CC\C=C\C=C(/C)C(=O)O Amb27191513 [1,1,0,0,0,0|1,0,1]=4 422 B9R0.47 C\C(=C/C=C/CO)C(=O)O Amb27600926 [1,1,0,0,0,0|0,0,1]=3 423 B9R0.47 C\C(=C/CNC=O)C(=O)O Amb35584802 [1,1,0,0,0,0|1,0,1]=4 424 B9R0.47 C\C=C\C=C\[C@@H](C)C(=O)O Amb27494045 [1,1,0,0,0,0|1,0,1]=4 425 B9R0.47 O=C\C=C/C=C(\O)C(=O)O Amb27615135 [1,1,0,0,0,0|0,0,0]=2 426 B9R0.47 O=C\C=C/CC(=O)C(=O)O Amb28073026 [1,1,0,0,0,0|0,0,1]=3 427 B9R0.47 O=C\C=C\C=C(/O)C(=O)O Amb18643785 [1,1,0,0,0,0|0,0,0]=2 428 B9R0.48 C=COC(=O)\C=C/C(=O)O Amb28341819 [1,1,0,0,0,0|2,0,0]=4 429 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [1,1,0,0,0,0|0,0,0]=2 430 B9R0.48 CC(=O)\C=C\C(C)=C\C=O Amb27445134 [1,1,0,0,0,0|1,0,0]=3 431 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [1,1,0,0,0,0|0,0,0]=2 432 B9R0.48 C\C=C\C(C)\C=C/C(=O)O Amb27468642 [1,1,0,0,0,0|1,0,1]=4 433 B9R0.48 NC(\C=C/C(=O)O)=C\C=O Amb27450259 [1,1,0,0,0,0|0,0,0]=2 434 B9R0.48 O=C(O)\C=C\C(=O)NCO Amb28346249 [1,1,0,0,0,0|1,0,1]=4 435 B9R0.48 O=CNC(=O)\C=C/C(=O)O Amb28313728 [1,1,0,0,0,0|1,0,0]=3 436 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,1,0,0,1,0|0,0,2]=4 437 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,1,0,0,1,0|0,0,1]=3 438 B9R0.7 CC(=O)C(=O)\C=C\C(=O)O Amb27803733 [0,1,0,0,1,0|1,0,0]=3 439 B9R0.7 CC(=O)O\C=C(\F)C(=O)O Amb27236545 [0,1,0,0,1,0|2,0,0]=4 440 B9R0.7 CC(C)=C(C)\C=C\C(=O)O Amb18643593 [0,1,0,0,1,0|2,0,0]=4 441 B9R0.7 CC(C)=C\C=C(/C)C(=O)O Amb27210759 [0,1,0,0,1,0|2,0,0]=4 442 B9R0.7 CC(C)=C\C=C(/F)C(=O)O Amb28050050 [0,1,0,0,1,0|2,0,0]=4 443 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,1,0,0,1,0|0,0,1]=3 444 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,1,0,0,1,0|0,0,1]=3 445 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,1,0,0,1,0|1,0,1]=4 446 B9R0.7 NC(=O)N\C=C(/F)C(=O)O Amb17614482 [0,1,0,0,1,0|2,0,0]=4 447 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,1,0|0,0,2]=4 448 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,1,0,0,1,0|0,0,2]=4 449 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,1,0,0,1,0|0,0,2]=4 450 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,1,0|1,0,1]=4 451 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,1,0,0,1,0|1,0,1]=4 452 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,1,0,0,1,0|0,0,1]=3 453 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,1,0,0,1,0|0,0,0]=2 454 B9R0.7 O=C(O)\C=C\C(Cl)=C(Cl)Cl Amb24452138 [0,1,0,0,1,0|2,0,0]=4 455 B9R0.53 CC(=O)\C=C(O)\C=C(/C)O Amb27467826 [0,1,0,0,1,0|2,0,0]=4 456 B9R0.53 CC(C)=C\C(C)=C\C(=O)O Amb27422044 [0,1,0,0,1,0|2,0,0]=4 457 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,1,0,0,1,0|0,0,1]=3 458 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,1,0,0,1,0|0,0,1]=3 459 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,1,0,0,1,0|0,0,2]=4 460 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,1,0,0,1,0|0,0,1]=3 461 B9R0.56 O=C(O)\C=C\CS(=O)(=O)O Amb25185208 [0,1,0,0,1,0|1,0,1]=4 462 B11R0.6 NC(=O)N\N=C\C(Cl)=C\C(=O)O Amb27657612 [0,1,0,0,0,1|2,0,0]=4 463 B11R0.29 NC(=O)N\N=C\C=C(/Cl)C(=O)O Amb28195139 [0,1,0,0,0,1|2,0,0]=4 464 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,1,0,0,0,1|0,0,2]=4 465 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,1,0,0,0,1|0,0,2]=4 466 B11R0.29 O=C(O)\C=C\SCC(=O)C(=O)O Amb33069699 [0,1,0,0,0,1|0,0,1]=3 467 B11R0.85 CC(=O)CNC(=O)\C=C\C(=O)O Amb20407494 [0,1,0,0,0,1|1,0,1]=4 468 B11R0.85 CC(=O)NNC(=O)\C=C/C(=O)O Amb28144952 [0,1,0,0,0,1|2,0,0]=4 469 B11R0.85 CC(=O)NNC(=O)\C=C\C(=O)O Amb18647578 [0,1,0,0,0,1|2,0,0]=4 470 B11R0.85 CC(\C=C\C(=O)O)=N/NC(N)=O Amb28343107 [0,1,0,0,0,1|2,0,0]=4 471 B11R0.85 O=C(O)\C=C\C(=O)\C=C\C(=O)O Amb2722963 [0,1,0,0,0,1|0,0,0]=2 472 B11R0.111 COC(=O)\C=C\C=C\NC(C)=O Amb27222359 [0,1,0,0,0,1|1,0,0]=3 473 B11R0.114 COC(=O)\C=C/C=C/S(=O)(=O)F Amb33457464 [0,2,0,0,0,0|1,0,1]=4 474 B11R0.93 CNC(=O)NC(=O)\C=C\C(=O)O Amb18949371 [0,2,0,0,0,0|2,0,0]=4 475 B11R0.93 COC(=O)NC(=O)\C=C\C(=O)O Amb26443102 [0,2,0,0,0,0|1,0,0]=3 476 B11R0.106 COC(=O)C\C=C\CC(=O)OC Amb34910343 [0,2,0,0,0,0|0,0,2]=4 477 B11R0.106 COC(=O)\C=C\C=C\C(=O)OC Amb4006251 [0,2,0,0,0,0|0,0,0]=2 478 B11R0.106 C\C(C=O)=C/C=C\C=C(/C)C=O Amb18646082 [0,2,0,0,0,0|2,0,0]=4 479 B11R0.106 C\C(C=O)=C\C=C\C=C(/C)C=O Amb33719427 [0,2,0,0,0,0|2,0,0]=4 480 B11R0.106 NNC(=O)\C=C\C=C\C(=O)NN Amb27956123 [0,2,0,0,0,0|2,0,0]=4 481 B11R0.107 COC(=O)\C=C\C(=O)NC(N)=O Amb9786597 [0,2,0,0,0,0|2,0,0]=4 482 B11R0.33 CC(=O)\C(C)=C\C(C)=C\C(=O)O Amb35691762 [0,2,0,0,0,0|1,0,0]=3 483 B11R0.33 CC(=O)\C=C(C)/C=C(\C)C(=O)O Amb28193759 [0,2,0,0,0,0|1,0,0]=3 484 B11R0.33 C\C(=C/C(N)=O)NC(=O)C(=O)O Amb28343068 [0,2,0,0,0,0|2,0,0]=4 485 B11R0.33 C\C(=C\C(=O)NC(N)=O)C(=O)O Amb27231732 [0,2,0,0,0,0|2,0,0]=4 486 B11R0.33 O=C(O)NC(=O)NC(=O)C(=O)O Amb24068958 [0,2,0,0,0,0|2,0,0]=4 487 B11R0.33 O=C(O)\C=C(O)/C=C(/Cl)C(=O)O Amb27592918 [0,2,0,0,0,0|0,0,0]=2 488 B11R0.149 NC(=O)NC(=O)\C(O)=C/C(=O)O Amb27607729 [0,2,0,0,0,0|2,0,0]=4 489 B11R0.173 NC(=O)\C=C\C(Br)=C(/Br)C(=O)O Amb28048850 [0,2,0,0,0,0|1,0,0]=3 490 B11R0.150 C=C(CCC(=C)C(=O)O)C(=O)O Amb32663626 [0,2,0,0,0,0|0,0,2]=4 491 B11R0.150 C\C(=C\C=C(\C)C(=O)O)C(=O)O Amb4009136 [0,2,0,0,0,0|0,0,0]=2 492 B11R0.150 C\C(=C\C=C(\Cl)C(=O)O)C(=O)O Amb27984867 [0,2,0,0,0,0|0,0,0]=2 493 B11R0.150 NC(=O)\C(Cl)=C\C=C(/Cl)C(N)=O Amb28243823 [0,2,0,0,0,0|2,0,0]=4 494 B11R0.150 O=C(O)\C(O)=C\C=C(/F)C(=O)O Amb28384493 [0,2,0,0,0,0|0,0,0]=2 495 B9R1.2 C=CC1=CC=CC(=O)N1 Amb24740217 [1,0,0,1,0,0|2,0,0]=4 496 B9R1.2 C=Cc1cccc(O)c1 Amb17593228 [1,0,0,1,0,0|2,0,0]=4 497 B9R1.2 Cc1cccc(C=O)c1 Amb2690615 [1,0,0,1,0,0|2,0,0]=4 498 B9R1.2 Cc1cccc(C=O)n1 Amb2689678 [1,0,0,1,0,0|2,0,0]=4 499 B9R1.2 Nc1cccc(C=O)c1 Amb2697309 [1,0,0,1,0,0|2,0,0]=4 500 B9R1.2 Nc1cccc(C=O)c1 Amb2697312 [1,0,0,1,0,0|2,0,0]=4 501 B9R1.2 Nc1cccc(C=O)n1 Amb16231443 [1,0,0,1,0,0|2,0,0]=4 502 B9R1.2 O=CC1=CC=CC(=O)N1 Amb19882313 [1,0,0,1,0,0|1,0,0]=3 503 B9R1.2 O=CC1=CC=CC(=O)O1 Amb27481476 [1,0,0,1,0,0|0,0,0]=2 504 B9R1.2 O=CC1=NC(=O)NC=C1 Amb22499756 [1,0,0,1,0,0|2,0,0]=4 505 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [1,0,0,1,0,0|0,0,2]=4 506 B9R1.2 O=Cc1cc(O)ccn1 Amb30982669 [1,0,0,1,0,0|2,0,0]=4 507 B9R1.2 O=Cc1cccc(Br)c1 Amb1232086 [1,0,0,1,0,0|2,0,0]=4 508 B9R1.2 O=Cc1cccc(Br)n1 Amb535786 [1,0,0,1,0,0|2,0,0]=4 509 B9R1.2 O=Cc1cccc(Cl)c1 Amb2725499 [1,0,0,1,0,0|2,0,0]=4 510 B9R1.2 O=Cc1cccc(Cl)n1 Amb8383544 [1,0,0,1,0,0|2,0,0]=4 511 B9R1.2 O=Cc1cccc(F)c1 Amb535197 [1,0,0,1,0,0|2,0,0]=4 512 B9R1.2 O=Cc1cccc(F)n1 Amb8386828 [1,0,0,1,0,0|2,0,0]=4 513 B9R1.2 O=Cc1cccc(I)c1 Amb1033003 [1,0,0,1,0,0|2,0,0]=4 514 B9R1.2 O=Cc1cccc(O)c1 Amb1880871 [1,0,0,1,0,0|1,0,0]=3 515 B9R1.2 O=Cc1cccc(O)n1 Amb20247934 [1,0,0,1,0,0|1,0,0]=3 516 B9R1.2 O=Cc1cccc(S)c1 Amb13952077 [1,0,0,1,0,0|1,1,0]=4 517 B9R1.2 O=Cc1ccnc(O)c1 Amb2695333 [1,0,0,1,0,0|2,0,0]=4 518 B9R1.2 O=Cc1cncc(O)c1 Amb19895145 [1,0,0,1,0,0|2,0,0]=4 519 B9R1.2 O=Cc1cncc(O)n1 Amb28077078 [1,0,0,1,0,0|2,0,0]=4 520 B9R1.2 OCc1cccc(O)c1 Amb2688734 [1,0,0,1,0,0|1,0,1]=4 521 B9R1.2 OCc1cccc(O)n1 Amb9902171 [1,0,0,1,0,0|1,0,1]=4 522 B9R1.2 ONc1cccc(O)c1 Amb28144169 [1,0,0,1,0,0|2,0,0]=4 523 B9R1.6 CC(=O)c1ccccc1 Amb2792761 [1,0,0,1,0,0|2,0,0]=4 524 B9R1.6 CC(=O)c1ccccn1 Amb932786 [1,0,0,1,0,0|2,0,0]=4 525 B9R1.6 NC(=O)c1ccccc1 Amb6399766 [1,0,0,1,0,0|2,0,0]=4 526 B9R1.6 NC(=O)c1ccccn1 Amb1219876 [1,0,0,1,0,0|2,0,0]=4 527 B9R1.6 O=C(Br)c1ccccc1 Amb8513573 [1,0,0,1,0,0|2,0,0]=4 528 B9R1.6 O=C(Cl)c1ccccc1 Amb3939302 [1,0,0,1,0,0|2,0,0]=4 529 B9R1.6 O=C(Cl)c1ccccn1 Amb22492448 [1,0,0,1,0,0|2,0,0]=4 530 B9R1.6 O=C(Cl)c1ccccn1 Amb2690341 [1,0,0,1,0,0|2,0,0]=4 531 B9R1.6 O=C(Cl)c1ccccn1 Amb3939534 [1,0,0,1,0,0|2,0,0]=4 532 B9R1.6 O=C(F)c1ccccc1 Amb10607152 [1,0,0,1,0,0|2,0,0]=4 533 B9R1.6 O=C(O)c1ccccc1 Amb1935196 [1,0,0,1,0,0|1,0,0]=3 534 B9R1.6 O=C(O)c1ccccc1 Amb22002523 [1,0,0,1,0,0|1,0,0]=3 535 B9R1.6 O=C(O)c1ccccc1 Amb22336602 [1,0,0,1,0,0|1,0,0]=3 536 B9R1.6 O=C(O)c1ccccc1 Amb22351742 [1,0,0,1,0,0|1,0,0]=3 537 B9R1.6 O=C(O)c1ccccn1 Amb1227737 [1,0,0,1,0,0|1,0,0]=3 538 B9R1.6 O=C(O)c1ccccn1 Amb4035065 [1,0,0,1,0,0|1,0,0]=3 539 B9R1.6 O=C(O)c1cccnc1 Amb1195995 [1,0,0,1,0,0|2,0,0]=4 540 B9R1.6 O=C(O)c1cccnn1 Amb33544461 [1,0,0,1,0,0|2,0,0]=4 541 B9R1.6 O=C(O)c1ccncc1 Amb2609990 [1,0,0,1,0,0|2,0,0]=4 542 B9R1.6 O=C(O)c1ccncn1 Amb1102414 [1,0,0,1,0,0|2,0,0]=4 543 B9R1.6 O=C(O)c1cnccn1 Amb2455963 [1,0,0,1,0,0|2,0,0]=4 544 B9R1.6 O=C(O)c1ncccn1 Amb19330380 [1,0,0,1,0,0|2,0,0]=4 545 B9R1.6 O=C(O)c1ncccn1 Amb2720395 [1,0,0,1,0,0|2,0,0]=4 546 B9R1.6 O=C(S)c1ccccc1 Amb8513358 [1,0,0,1,0,0|1,1,0]=4 547 B9R1.6 O=C([O-])c1ccccc1 Amb22053472 [1,0,0,1,0,0|1,0,1]=4 548 B9R1.6 O=C([O-])c1ccccc1 Amb22168438 [1,0,0,1,0,0|1,0,1]=4 549 B9R1.6 O=C([O-])c1ccccc1 Amb8387740 [1,0,0,1,0,0|1,0,1]=4 550 B9R1.6 O=C([O-])c1ccccc1 Amb8513916 [1,0,0,1,0,0|1,0,1]=4 551 B9R1.6 O=C([O-])c1ccccc1 Amb8517378 [1,0,0,1,0,0|1,0,1]=4 552 B9R1.6 O=C([O-])c1ccccn1 Amb22058087 [1,0,0,1,0,0|1,0,1]=4 553 B9R1.6 O=C([O-])c1ccccn1 Amb22734923 [1,0,0,1,0,0|1,0,1]=4 554 B9R1.6 O=C([O-])c1ccccn1 Amb8393579 [1,0,0,1,0,0|1,0,1]=4 555 B9R1.6 O=C([O-])c1ccccn1 Amb8393582 [1,0,0,1,0,0|1,0,1]=4 556 B9R1.6 O=S(O)c1ccccc1 Amb17939345 [1,0,0,1,0,0|2,0,0]=4 557 B9R1.6 O=[PH](O)c1ccccc1 Amb3371978 [1,0,0,1,0,0|2,0,0]=4 558 B9R1.6 O=[Se](O)c1ccccc1 Amb4138617 [1,0,0,1,0,0|2,0,0]=4 559 B9R1.6 OC(=S)c1ccccc1 Amb17942862 [1,0,0,1,0,0|1,1,0]=4 560 B9R1.7 Br\C=C\c1ccc(Br)o1 Amb27642770 [1,0,0,1,0,0|2,0,0]=4 561 B9R1.7 CC\C=C1/C=CC(=O)O1 Amb27185841 [1,0,0,1,0,0|1,0,1]=4 562 B9R1.7 C\C=C\C1=CCC(=O)O1 Amb26429675 [1,0,0,1,0,0|1,0,1]=4 563 B9R1.7 C\C=C\C1C=CC(=O)O1 Amb25238033 [1,0,0,1,0,0|1,0,1]=4 564 B9R1.7 C\C=C\c1ccc(C)o1 Amb27482400 [1,0,0,1,0,0|2,0,0]=4 565 B9R1.7 Cc1ccc(CC=O)o1 Amb26584704 [1,0,0,1,0,0|1,0,1]=4 566 B9R1.7 Cc1ccc(\C=C\Br)o1 Amb33134842 [1,0,0,1,0,0|2,0,0]=4 567 B9R1.7 Cc1ccc(\C=N/O)o1 Amb25147225 [1,0,0,1,0,0|2,0,0]=4 568 B9R1.7 Cc1ccc(\C=N\O)o1 Amb6384039 [1,0,0,1,0,0|2,0,0]=4 569 B9R1.7 O=C1C=C\C(=C/C=S)C1 Amb24577808 [1,0,0,1,0,0|1,1,0]=4 570 B9R1.7 O=C1C=C\C(=C\C=S)C1 Amb27838717 [1,0,0,1,0,0|1,1,0]=4 571 B9R1.7 O=CCc1ccc(Br)o1 Amb27870879 [1,0,0,1,0,0|1,0,1]=4 572 B9R1.7 O=CCc1ccc(Cl)o1 Amb25174639 [1,0,0,1,0,0|1,0,1]=4 573 B9R1.7 O=C\C=C1/C=CC(=O)O1 Amb24334582 [1,0,0,1,0,0|0,0,0]=2 574 B9R1.7 O\N=C\c1ccc(Br)o1 Amb2387512 [1,0,0,1,0,0|2,0,0]=4 575 B9R1.7 O\N=C\c1ccc(Cl)o1 Amb8357988 [1,0,0,1,0,0|2,0,0]=4 576 B9R1.7 O\N=C\c1ccc(I)o1 Amb16239327 [1,0,0,1,0,0|2,0,0]=4 577 B9R1.9 O=C\C=C/C1CC(=O)O1 Amb28202384 [1,0,0,1,0,0|0,0,2]=4 578 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [1,0,0,1,0,0|2,0,0]=4 579 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [1,0,0,1,0,0|1,0,1]=4 580 B9R1.13 CC(=O)Nc1ccco1 Amb2611741 [1,0,0,1,0,0|2,0,0]=4 581 B9R1.13 CC(=O)Oc1ccco1 Amb27614492 [1,0,0,1,0,0|2,0,0]=4 582 B9R1.13 CC(=O)\C=C1/C=CCO1 Amb27186200 [1,0,0,1,0,0|1,0,1]=4 583 B9R1.13 CC(=O)\C=C1\CC=CO1 Amb28326023 [1,0,0,1,0,0|1,0,1]=4 584 B9R1.13 F\C(Br)=C\c1ccco1 Amb27847169 [1,0,0,1,0,0|2,0,0]=4 585 B9R1.13 NC(=O)Nc1ccco1 Amb27804619 [1,0,0,1,0,0|2,0,0]=4 586 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [1,0,0,1,0,0|1,0,1]=4 587 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [1,0,0,1,0,0|1,0,1]=4 588 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [1,0,0,1,0,0|0,0,1]=3 589 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [1,0,0,1,0,0|0,1,1]=4 590 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [1,0,0,1,0,0|1,0,1]=4 591 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [1,0,0,1,0,0|1,0,1]=4 592 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [1,0,0,1,0,0|1,0,1]=4 593 B9R1.41 C=C1C=CC=C1C(C)=O Amb25861278 [1,0,0,1,0,0|2,0,0]=4 594 B9R1.41 CC(=O)c1ccoc1O Amb27607192 [1,0,0,1,0,0|2,0,0]=4 595 B9R1.41 CC(=O)c1ccsc1O Amb27964081 [1,0,0,1,0,0|2,0,0]=4 596 B9R1.41 CC(=O)c1occc1O Amb28351437 [1,0,0,1,0,0|2,0,0]=4 597 B9R1.41 CC(=O)c1sccc1O Amb18202590 [1,0,0,1,0,0|2,0,0]=4 598 B9R1.41 C\C(O)=C1\OC=CC1=O Amb25686104 [1,0,0,1,0,0|2,0,0]=4 599 B9R1.41 Cc1ccoc1C(=O)O Amb1156943 [1,0,0,1,0,0|2,0,0]=4 600 B9R1.41 Cc1ccsc1C(=O)O Amb2695360 [1,0,0,1,0,0|2,0,0]=4 601 B9R1.41 Cc1cocc1C(=O)O Amb22886569 [1,0,0,1,0,0|2,0,0]=4 602 B9R1.41 Cc1cscc1C(=O)O Amb20240802 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.41 Cc1occc1C(=O)O Amb1102055 [1,0,0,1,0,0|2,0,0]=4 604 B9R1.41 Cc1sccc1C(=O)O Amb2447618 [1,0,0,1,0,0|2,0,0]=4 605 B9R1.41 Cn1cccc1C(=O)O Amb1151288 [1,0,0,1,0,0|2,0,0]=4 606 B9R1.41 NC(=O)c1cccn1O Amb28136084 [1,0,0,1,0,0|2,0,0]=4 607 B9R1.41 NC(=O)c1sccc1O Amb1398894 [1,0,0,1,0,0|2,0,0]=4 608 B9R1.41 Nc1ccoc1C(=O)O Amb18832709 [1,0,0,1,0,0|2,0,0]=4 609 B9R1.41 Nc1ccsc1C(=O)O Amb19888389 [1,0,0,1,0,0|2,0,0]=4 610 B9R1.41 Nc1ccsc1C(=O)O Amb2695071 [1,0,0,1,0,0|2,0,0]=4 611 B9R1.41 Nc1cscc1C(=O)O Amb10071408 [1,0,0,1,0,0|2,0,0]=4 612 B9R1.41 Nc1sccc1C(=O)O Amb4296914 [1,0,0,1,0,0|2,0,0]=4 613 B9R1.41 Nn1cccc1C(=O)O Amb28143308 [1,0,0,1,0,0|2,0,0]=4 614 B9R1.41 O=C(O)C1=CC=CC1Cl Amb27780445 [1,0,0,1,0,0|1,0,1]=4 615 B9R1.41 O=C(O)C1=CONC1=O Amb18832582 [1,0,0,1,0,0|2,0,0]=4 616 B9R1.41 O=C(O)c1ccoc1Br Amb33544509 [1,0,0,1,0,0|2,0,0]=4 617 B9R1.41 O=C(O)c1ccoc1Cl Amb25731243 [1,0,0,1,0,0|2,0,0]=4 618 B9R1.41 O=C(O)c1ccoc1F Amb27241158 [1,0,0,1,0,0|2,0,0]=4 619 B9R1.41 O=C(O)c1ccoc1I Amb25889545 [1,0,0,1,0,0|2,0,0]=4 620 B9R1.41 O=C(O)c1ccsc1Br Amb2724056 [1,0,0,1,0,0|2,0,0]=4 621 B9R1.41 O=C(O)c1ccsc1Cl Amb10576176 [1,0,0,1,0,0|2,0,0]=4 622 B9R1.41 O=C(O)c1ccsc1F Amb2611690 [1,0,0,1,0,0|2,0,0]=4 623 B9R1.41 O=C(O)c1ccsc1I Amb24741705 [1,0,0,1,0,0|2,0,0]=4 624 B9R1.41 O=C(O)c1cocc1Br Amb27454338 [1,0,0,1,0,0|2,0,0]=4 625 B9R1.41 O=C(O)c1cocc1Cl Amb18202241 [1,0,0,1,0,0|2,0,0]=4 626 B9R1.41 O=C(O)c1cscc1Br Amb33548878 [1,0,0,1,0,0|2,0,0]=4 627 B9R1.41 O=C(O)c1cscc1Cl Amb5720835 [1,0,0,1,0,0|2,0,0]=4 628 B9R1.41 O=C(O)c1cscc1F Amb28364282 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.41 O=C(O)c1cscc1I Amb27235489 [1,0,0,1,0,0|2,0,0]=4 630 B9R1.41 O=C(O)c1cscc1O Amb18124673 [1,0,0,1,0,0|1,0,0]=3 631 B9R1.41 O=C(O)c1cscc1S Amb18126245 [1,0,0,1,0,0|1,1,0]=4 632 B9R1.41 O=C(O)c1nocc1O Amb22055438 [1,0,0,1,0,0|2,0,0]=4 633 B9R1.41 O=C(O)c1occc1Br Amb7990094 [1,0,0,1,0,0|2,0,0]=4 634 B9R1.41 O=C(O)c1occc1Cl Amb18202245 [1,0,0,1,0,0|2,0,0]=4 635 B9R1.41 O=C(O)c1occc1F Amb26497027 [1,0,0,1,0,0|2,0,0]=4 636 B9R1.41 O=C(O)c1sccc1Br Amb2685506 [1,0,0,1,0,0|2,0,0]=4 637 B9R1.41 O=C(O)c1sccc1Cl Amb2686485 [1,0,0,1,0,0|2,0,0]=4 638 B9R1.41 O=C(O)c1sccc1F Amb33542984 [1,0,0,1,0,0|2,0,0]=4 639 B9R1.41 O=C(O)c1sccc1I Amb2688890 [1,0,0,1,0,0|2,0,0]=4 640 B9R1.41 O=C(O)c1sccc1O Amb10069920 [1,0,0,1,0,0|1,0,0]=3 641 B9R1.48 CC1=CC=CC=C(C)O1 Amb26521492 [1,0,0,1,0,0|2,0,0]=4 642 B9R1.48 NC1=CC(=O)C=CC=C1 Amb24683732 [1,0,0,1,0,0|2,0,0]=4 643 B9R1.48 O=C1C=CC=CC(=O)N1 Amb27790888 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.48 O=C1C=CC=CC(Cl)=C1 Amb28206323 [1,0,0,1,0,0|2,0,0]=4 645 B9R1.48 O=C1C=CC=CC(O)C1 Amb28430523 [1,0,0,1,0,0|1,0,1]=4 646 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,0,0,1,1,0|2,0,0]=4 647 B9R1.35 CC(=O)c1ccc(C)o1 Amb1154368 [0,0,0,1,1,0|2,0,0]=4 648 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,0,0,1,1,0|2,0,0]=4 649 B9R1.35 CC(=O)c1ccc(O)s1 Amb34135974 [0,0,0,1,1,0|1,1,0]=4 650 B9R1.35 Cc1ccc(C(=O)Cl)o1 Amb2689440 [0,0,0,1,1,0|2,0,0]=4 651 B9R1.35 Cc1ccc(C(=O)O)o1 Amb6318544 [0,0,0,1,1,0|1,0,0]=3 652 B9R1.35 Cc1ccc(C(=O)O)s1 Amb1157149 [0,0,0,1,1,0|1,1,0]=4 653 B9R1.35 Cc1ccc(C(N)=O)o1 Amb3359879 [0,0,0,1,1,0|2,0,0]=4 654 B9R1.35 Cc1cnc(C(=O)O)o1 Amb18832708 [0,0,0,1,1,0|2,0,0]=4 655 B9R1.35 Cc1ncc(C(=O)O)o1 Amb17399815 [0,0,0,1,1,0|2,0,0]=4 656 B9R1.35 NC(=O)c1ccc(Br)o1 Amb8335806 [0,0,0,1,1,0|2,0,0]=4 657 B9R1.35 NC(=O)c1ccc(Cl)o1 Amb27203205 [0,0,0,1,1,0|2,0,0]=4 658 B9R1.35 NC(=O)c1ccc(I)o1 Amb780127 [0,0,0,1,1,0|2,0,0]=4 659 B9R1.35 Nc1ccc(C(=O)O)o1 Amb18946756 [0,0,0,1,1,0|1,0,0]=3 660 B9R1.35 Nc1ccc(C(=O)O)s1 Amb18831593 [0,0,0,1,1,0|1,1,0]=4 661 B9R1.35 Nc1ncc(C(=O)O)o1 Amb19959202 [0,0,0,1,1,0|2,0,0]=4 662 B9R1.35 O=C(Br)c1ccc(Br)o1 Amb17939056 [0,0,0,1,1,0|2,0,0]=4 663 B9R1.35 O=C(Cl)c1ccc(Br)o1 Amb2685261 [0,0,0,1,1,0|2,0,0]=4 664 B9R1.35 O=C(Cl)c1ccc(Cl)o1 Amb27953619 [0,0,0,1,1,0|2,0,0]=4 665 B9R1.35 O=C(Cl)c1ccc(F)o1 Amb28196417 [0,0,0,1,1,0|2,0,0]=4 666 B9R1.35 O=C(Cl)c1ccc(I)o1 Amb27438212 [0,0,0,1,1,0|2,0,0]=4 667 B9R1.35 O=C(F)c1ccc(Br)o1 Amb28254044 [0,0,0,1,1,0|2,0,0]=4 668 B9R1.35 O=C(O)c1cc(O)co1 Amb27494194 [0,0,0,1,1,0|2,0,0]=4 669 B9R1.35 O=C(O)c1cc(O)cs1 Amb5720296 [0,0,0,1,1,0|2,0,0]=4 670 B9R1.35 O=C(O)c1ccc(Br)o1 Amb6335213 [0,0,0,1,1,0|1,0,0]=3 671 B9R1.35 O=C(O)c1ccc(Br)s1 Amb6341887 [0,0,0,1,1,0|1,1,0]=4 672 B9R1.35 O=C(O)c1ccc(Cl)o1 Amb1107530 [0,0,0,1,1,0|1,0,0]=3 673 B9R1.35 O=C(O)c1ccc(Cl)s1 Amb1152956 [0,0,0,1,1,0|1,1,0]=4 674 B9R1.35 O=C(O)c1ccc(F)o1 Amb23538033 [0,0,0,1,1,0|1,0,0]=3 675 B9R1.35 O=C(O)c1ccc(F)s1 Amb33542618 [0,0,0,1,1,0|1,1,0]=4 676 B9R1.35 O=C(O)c1ccc(I)o1 Amb2459665 [0,0,0,1,1,0|1,0,0]=3 677 B9R1.35 O=C(O)c1ccc(I)s1 Amb22002319 [0,0,0,1,1,0|1,1,0]=4 678 B9R1.35 O=C(O)c1cnc(Br)o1 Amb22432570 [0,0,0,1,1,0|2,0,0]=4 679 B9R1.35 O=C(O)c1cnc(Cl)o1 Amb26652765 [0,0,0,1,1,0|2,0,0]=4 680 B9R1.35 O=C(O)c1cnc(O)o1 Amb25178101 [0,0,0,1,1,0|1,0,1]=4 681 B9R1.35 O=C(O)c1coc(O)n1 Amb24481698 [0,0,0,1,1,0|2,0,0]=4 682 B9R1.35 O=C(O)c1csc(O)c1 Amb26638056 [0,0,0,1,1,0|2,0,0]=4 683 B9R1.35 O=C(O)c1csc(O)n1 Amb27142660 [0,0,0,1,1,0|2,0,0]=4 684 B9R1.35 O=C(O)c1nc(O)cs1 Amb35710163 [0,0,0,1,1,0|2,0,0]=4 685 B9R1.35 O=C1C=CC(=C(Cl)Cl)O1 Amb27237262 [0,0,0,1,1,0|2,0,0]=4 686 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,1,1,0|1,0,1]=4 687 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,1,1,0|1,0,1]=4 688 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,0,0,1,1,0|2,0,0]=4 689 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,0,0,1,1,0|2,0,0]=4 690 B9R1.35 O=C1NC=C(C(=O)O)N1 Amb18278248 [0,0,0,1,1,0|2,0,0]=4 691 B9R1.35 O=C1NC=C(C(=O)O)S1 Amb33531086 [0,0,0,1,1,0|1,1,0]=4 692 B9R1.35 OC(=S)c1ccc(Br)o1 Amb27186020 [0,0,0,1,1,0|1,1,0]=4 693 B9R1.49 O=C1C=CC=C(O)C=C1 Amb18048395 [0,0,0,1,1,0|2,0,0]=4 694 B11R1.75 CC(=O)\C=C\c1ccc(Br)o1 Amb33241034 [0,0,0,1,0,1|2,0,0]=4 695 B11R1.75 CC(=O)\C=C\c1ccc(C)o1 Amb3484427 [0,0,0,1,0,1|2,0,0]=4 696 B11R1.75 CC(=O)\C=C\c1ccc(Cl)o1 Amb33052107 [0,0,0,1,0,1|2,0,0]=4 697 B11R1.75 Cc1cc(\C=C\C(=O)O)co1 Amb25893070 [0,0,0,1,0,1|2,0,0]=4 698 B11R1.75 Cc1cc(\C=C\C(=O)O)cs1 Amb25300336 [0,0,0,1,0,1|2,0,0]=4 699 B11R1.75 Cc1ccc(C#CC(=O)O)o1 Amb25361971 [0,0,0,1,0,1|1,0,1]=4 700 B11R1.75 Cc1ccc(CCC(=O)O)o1 Amb6336472 [0,0,0,1,0,1|1,0,1]=4 701 B11R1.75 Cc1ccc(OCC(=O)O)o1 Amb33317586 [0,0,0,1,0,1|1,0,1]=4 702 B11R1.75 Cc1ccc(\C=C\C(=O)Cl)o1 Amb16230249 [0,0,0,1,0,1|2,0,0]=4 703 B11R1.75 Cc1ccc(\C=C\C(=O)O)o1 Amb34915176 [0,0,0,1,0,1|1,0,0]=3 704 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb33714764 [0,0,0,1,0,1|1,1,0]=4 705 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb425405 [0,0,0,1,0,1|1,1,0]=4 706 B11R1.75 Cc1ccc(\C=C\C(N)=O)o1 Amb6514414 [0,0,0,1,0,1|2,0,0]=4 707 B11R1.75 Cc1coc(\C=C\C(=O)O)c1 Amb25958503 [0,0,0,1,0,1|2,0,0]=4 708 B11R1.75 Cc1coc(\C=C\C(=O)O)n1 Amb32941829 [0,0,0,1,0,1|2,0,0]=4 709 B11R1.75 Cc1csc(\C=C\C(=O)O)c1 Amb33171868 [0,0,0,1,0,1|2,0,0]=4 710 B11R1.75 Cc1csc(\C=C\C(=O)O)n1 Amb28458378 [0,0,0,1,0,1|2,0,0]=4 711 B11R1.75 Cc1nc(\C=C\C(=O)O)co1 Amb27632440 [0,0,0,1,0,1|2,0,0]=4 712 B11R1.75 Cc1nc(\C=C\C(=O)O)cs1 Amb501605 [0,0,0,1,0,1|2,0,0]=4 713 B11R1.75 Cc1ncc(\C=C\C(=O)O)s1 Amb18255512 [0,0,0,1,0,1|1,1,0]=4 714 B11R1.75 Cc1nnc(\C=C\C(=O)O)o1 Amb18065407 [0,0,0,1,0,1|2,0,0]=4 715 B11R1.75 Nc1ncc(\C=C\C(=O)O)s1 Amb26505818 [0,0,0,1,0,1|1,1,0]=4 716 B11R1.75 O=C(O)C#Cc1ccc(Br)o1 Amb27466662 [0,0,0,1,0,1|1,0,1]=4 717 B11R1.75 O=C(O)CCc1ccc(Br)o1 Amb9175389 [0,0,0,1,0,1|1,0,1]=4 718 B11R1.75 O=C(O)CCc1ccc(Cl)o1 Amb27235080 [0,0,0,1,0,1|1,0,1]=4 719 B11R1.75 O=C(O)CCc1ccc(F)o1 Amb27428994 [0,0,0,1,0,1|1,0,1]=4 720 B11R1.75 O=C(O)COc1ccc(Br)o1 Amb33452237 [0,0,0,1,0,1|1,0,1]=4 721 B11R1.75 O=C(O)COc1ccc(Cl)o1 Amb33259048 [0,0,0,1,0,1|1,0,1]=4 722 B11R1.75 O=C(O)\C=C/C1=NNC(=O)N1 Amb21973583 [0,0,0,1,0,1|2,0,0]=4 723 B11R1.75 O=C(O)\C=C/c1cc(Br)cs1 Amb10069468 [0,0,0,1,0,1|2,0,0]=4 724 B11R1.75 O=C(O)\C=C\C1=CNC(=S)N1 Amb24726371 [0,0,0,1,0,1|1,1,0]=4 725 B11R1.75 O=C(O)\C=C\C1=NC(=O)CO1 Amb27231808 [0,0,0,1,0,1|1,0,1]=4 726 B11R1.75 O=C(O)\C=C\C1=NNC(=O)C1 Amb25149210 [0,0,0,1,0,1|2,0,0]=4 727 B11R1.75 O=C(O)\C=C\c1cc(Br)co1 Amb33451300 [0,0,0,1,0,1|2,0,0]=4 728 B11R1.75 O=C(O)\C=C\c1cc(Br)cs1 Amb7764677 [0,0,0,1,0,1|2,0,0]=4 729 B11R1.75 O=C(O)\C=C\c1cc(Cl)cs1 Amb33052706 [0,0,0,1,0,1|2,0,0]=4 730 B11R1.75 O=C(O)\C=C\c1ccc(Br)o1 Amb1102780 [0,0,0,1,0,1|1,0,0]=3 731 B11R1.75 O=C(O)\C=C\c1ccc(Br)s1 Amb30296 [0,0,0,1,0,1|1,1,0]=4 732 B11R1.75 O=C(O)\C=C\c1ccc(Cl)o1 Amb1107531 [0,0,0,1,0,1|1,0,0]=3 733 B11R1.75 O=C(O)\C=C\c1ccc(Cl)s1 Amb501590 [0,0,0,1,0,1|1,1,0]=4 734 B11R1.75 O=C(O)\C=C\c1ccc(F)o1 Amb26070880 [0,0,0,1,0,1|1,0,0]=3 735 B11R1.75 O=C(O)\C=C\c1ccc(I)o1 Amb33578339 [0,0,0,1,0,1|1,0,0]=3 736 B11R1.75 O=C(O)\C=C\c1cnc(Br)s1 Amb27794323 [0,0,0,1,0,1|1,1,0]=4 737 B11R1.75 O=C(O)\C=C\c1cnc(Cl)s1 Amb26845257 [0,0,0,1,0,1|1,1,0]=4 738 B11R1.75 O=C(O)\C=C\c1coc(Br)c1 Amb33470081 [0,0,0,1,0,1|2,0,0]=4 739 B11R1.75 O=C(O)\C=C\c1csc(Br)c1 Amb34185909 [0,0,0,1,0,1|2,0,0]=4 740 B11R1.75 O=C(O)\C=C\c1csc(Br)n1 Amb28130054 [0,0,0,1,0,1|2,0,0]=4 741 B11R1.75 O=C(O)\C=C\c1csc(Cl)c1 Amb33051987 [0,0,0,1,0,1|2,0,0]=4 742 B11R1.75 O=C(O)\C=C\c1csc(I)c1 Amb33470063 [0,0,0,1,0,1|2,0,0]=4 743 B11R1.75 O=C(O)\C=C\c1ncc(Cl)s1 Amb27207876 [0,0,0,1,0,1|1,1,0]=4 744 B11R1.157 CC(=O)Cc1cccc(O)c1 Amb16192704 [0,0,0,1,0,1|2,0,0]=4 745 B11R1.157 CC(=O)Nc1cccc(O)c1 Amb1208498 [0,0,0,1,0,1|2,0,0]=4 746 B11R1.157 CC(=O)Oc1cccc(O)c1 Amb3941494 [0,0,0,1,0,1|2,0,0]=4 747 B11R1.157 Cc1cccc(CC(=O)O)c1 Amb2690617 [0,0,0,1,0,1|2,0,0]=4 748 B11R1.157 Cc1cccc(CC(=O)O)n1 Amb17617788 [0,0,0,1,0,1|2,0,0]=4 749 B11R1.157 NC(=O)Cc1cccc(O)c1 Amb6297142 [0,0,0,1,0,1|2,0,0]=4 750 B11R1.157 NC(=O)Nc1cccc(O)c1 Amb6600565 [0,0,0,1,0,1|2,0,0]=4 751 B11R1.157 NC(=O)Oc1cccc(O)c1 Amb35726795 [0,0,0,1,0,1|2,0,0]=4 752 B11R1.157 Nc1cccc(CC(=O)O)c1 Amb19373490 [0,0,0,1,0,1|2,0,0]=4 753 B11R1.157 Nc1cccc(CC(=O)O)c1 Amb3941543 [0,0,0,1,0,1|2,0,0]=4 754 B11R1.157 Nc1cccc(CC(=O)O)n1 Amb22011865 [0,0,0,1,0,1|2,0,0]=4 755 B11R1.157 O=C(Cl)Cc1cccc(O)c1 Amb18177959 [0,0,0,1,0,1|2,0,0]=4 756 B11R1.157 O=C(O)CC1=CC(=O)NC=C1 Amb26396091 [0,0,0,1,0,1|1,0,1]=4 757 B11R1.157 O=C(O)CC1=CN=CC(=O)N1 Amb18200849 [0,0,0,1,0,1|1,0,1]=4 758 B11R1.157 O=C(O)Cc1cccc(Br)c1 Amb1134647 [0,0,0,1,0,1|2,0,0]=4 759 B11R1.157 O=C(O)Cc1cccc(Br)n1 Amb13883482 [0,0,0,1,0,1|2,0,0]=4 760 B11R1.157 O=C(O)Cc1cccc(Cl)c1 Amb3939860 [0,0,0,1,0,1|2,0,0]=4 761 B11R1.157 O=C(O)Cc1cccc(Cl)n1 Amb10976127 [0,0,0,1,0,1|2,0,0]=4 762 B11R1.157 O=C(O)Cc1cccc(F)c1 Amb2688301 [0,0,0,1,0,1|2,0,0]=4 763 B11R1.157 O=C(O)Cc1cccc(F)n1 Amb20247874 [0,0,0,1,0,1|2,0,0]=4 764 B11R1.157 O=C(O)Cc1cccc(I)c1 Amb3792688 [0,0,0,1,0,1|2,0,0]=4 765 B11R1.157 O=C(O)Cc1cccc(O)c1 Amb3940110 [0,0,0,1,0,1|1,0,0]=3 766 B11R1.157 O=C(O)Cc1cccc(O)n1 Amb20247884 [0,0,0,1,0,1|1,0,0]=3 767 B11R1.157 O=C(O)Cc1ccnc(O)c1 Amb33533757 [0,0,0,1,0,1|1,0,1]=4 768 B11R1.157 O=C(O)Cc1ccnc(O)n1 Amb18200881 [0,0,0,1,0,1|1,0,1]=4 769 B11R1.157 O=C(O)Cc1cncc(O)c1 Amb27781042 [0,0,0,1,0,1|1,0,1]=4 770 B11R1.157 O=C(O)Cc1nccc(O)n1 Amb18862504 [0,0,0,1,0,1|1,0,1]=4 771 B11R1.178 CC(=O)C1=CC=CC1C(C)=O Amb26484351 [0,0,0,1,0,1|2,0,0]=4 772 B11R1.178 CC(=O)C1=CC=C\C1=C(/C)O Amb28074628 [0,0,0,1,0,1|2,0,0]=4 773 B11R1.178 CC(=O)C1=CCC=C1C(C)=O Amb28253661 [0,0,0,1,0,1|2,0,0]=4 774 B11R1.178 CC(=O)c1cccn1C(C)=O Amb26432950 [0,0,0,1,0,1|2,0,0]=4 775 B11R1.178 CC(=O)c1ccsc1C(=O)O Amb2611547 [0,0,0,1,0,1|1,0,0]=3 776 B11R1.178 CC(=O)c1cocc1C(C)=O Amb24415262 [0,0,0,1,0,1|2,0,0]=4 777 B11R1.178 CC(=O)c1nocc1C(=O)O Amb18830932 [0,0,0,1,0,1|2,0,0]=4 778 B11R1.178 CC(=O)c1occc1C(=O)O Amb18200885 [0,0,0,1,0,1|1,0,0]=3 779 B11R1.178 CC(=O)c1oncc1C(=O)O Amb18830931 [0,0,0,1,0,1|2,0,0]=4 780 B11R1.178 CC(=O)c1sccc1C(=O)O Amb18126671 [0,0,0,1,0,1|1,0,0]=3 781 B11R1.178 CC(=O)c1scnc1C(=O)O Amb18687215 [0,0,0,1,0,1|2,0,0]=4 782 B11R1.178 CS(=O)c1sccc1C(=O)O Amb8439417 [0,0,0,1,0,1|2,0,0]=4 783 B11R1.178 NC(=O)c1ccsc1C(N)=O Amb28140720 [0,0,0,1,0,1|2,0,0]=4 784 B11R1.178 NC(=O)c1cscc1C(=O)O Amb24742062 [0,0,0,1,0,1|1,0,0]=3 785 B11R1.178 NC(=O)c1occc1C(=O)O Amb27266056 [0,0,0,1,0,1|1,0,0]=3 786 B11R1.178 NC(=O)c1sccc1C(=O)O Amb27983716 [0,0,0,1,0,1|1,0,0]=3 787 B11R1.178 O=C(O)C1=C(C(=O)O)CCC1 Amb4007521 [0,0,0,1,0,1|0,0,2]=4 788 B11R1.178 O=C(O)C1=C(C(=O)O)CNC1 Amb27760780 [0,0,0,1,0,1|0,0,2]=4 789 B11R1.178 O=C(O)C1=C(C(=O)O)COC1 Amb22356371 [0,0,0,1,0,1|0,0,2]=4 790 B11R1.178 O=C(O)C1=C(C(=O)O)CSC1 Amb18647803 [0,0,0,1,0,1|0,0,2]=4 791 B11R1.178 O=C(O)C1=C(C(=O)O)N=S=N1 Amb17760415 [0,0,0,1,0,1|2,0,0]=4 792 B11R1.178 O=C(O)C1=NCN=C1C(=O)O Amb27823585 [0,0,0,1,0,1|1,0,1]=4 793 B11R1.178 O=C(O)C1C=CCC1C(=O)O Amb28365373 [0,0,0,1,0,1|0,0,2]=4 794 B11R1.178 O=C(O)c1ccoc1B(O)O Amb13890341 [0,0,0,1,0,1|1,0,1]=4 795 B11R1.178 O=C(O)c1ccoc1C(=O)O Amb5717808 [0,0,0,1,0,1|0,0,0]=2 796 B11R1.178 O=C(O)c1ccoc1C(O)Br Amb28246857 [0,0,0,1,0,1|1,0,1]=4 797 B11R1.178 O=C(O)c1ccsc1B(O)O Amb2724811 [0,0,0,1,0,1|1,0,1]=4 798 B11R1.178 O=C(O)c1ccsc1C(=O)O Amb2611505 [0,0,0,1,0,1|0,0,0]=2 799 B11R1.178 O=C(O)c1ccsc1[N+](=O)[O-] Amb25972469 [0,0,0,1,0,1|1,0,1]=4 800 B11R1.178 O=C(O)c1cnsc1C(=O)O Amb8439092 [0,0,0,1,0,1|1,0,0]=3 801 B11R1.178 O=C(O)c1cocc1C(=O)Cl Amb27858831 [0,0,0,1,0,1|1,0,0]=3 802 B11R1.178 O=C(O)c1cocc1C(=O)O Amb4036468 [0,0,0,1,0,1|0,0,0]=2 803 B11R1.178 O=C(O)c1cscc1C(=O)O Amb2447537 [0,0,0,1,0,1|0,0,0]=2 804 B11R1.178 O=C(O)c1ncsc1C(=O)O Amb23441216 [0,0,0,1,0,1|1,0,0]=3 805 B11R1.178 O=C(O)c1nnsc1C(=O)O Amb18825263 [0,0,0,1,0,1|2,0,0]=4 806 B11R1.178 O=C(O)c1nonc1C(=O)O Amb6315745 [0,0,0,1,0,1|2,0,0]=4 807 B11R1.178 O=C(O)c1nsnc1C(=O)O Amb2795782 [0,0,0,1,0,1|2,0,0]=4 808 B11R1.178 O=C(O)c1occc1B(O)O Amb26327757 [0,0,0,1,0,1|1,0,1]=4 809 B11R1.178 O=C(O)c1occc1[N+](=O)[O-] Amb27267424 [0,0,0,1,0,1|1,0,1]=4 810 B11R1.178 O=C(O)c1sccc1B(O)O Amb5492700 [0,0,0,1,0,1|1,0,1]=4 811 B11R1.178 O=C(O)c1sccc1S(=O)O Amb2613290 [0,0,0,1,0,1|1,0,0]=3 812 B11R1.178 O=C(O)c1sccc1[N+](=O)[O-] Amb9677310 [0,0,0,1,0,1|1,0,1]=4 813 B11R1.178 O=C([O-])c1cscc1C(=O)[O-] Amb33513092 [0,0,0,1,0,1|0,0,2]=4 814 B11R1.497 CC(=O)C1=CC=CCC(=O)N1 Amb25707861 [0,0,0,1,0,1|2,0,0]=4 815 B11R1.497 CC(=O)C1=CC=CNC(=O)C1 Amb24485992 [0,0,0,1,0,1|2,0,0]=4 816 B11R1.497 CC(=O)C1C=CC=CC(=O)N1 Amb27176415 [0,0,0,1,0,1|2,0,0]=4 817 B11R1.497 NC(=O)C1=CC(=O)C=CC=C1 Amb25861229 [0,0,0,1,0,1|2,0,0]=4 818 B11R1.155 O=P(O)(O)c1cccc(O)c1 Amb4059246 [0,1,0,1,0,0|2,0,0]=4 819 B11R1.155 O=S(=O)(O)c1cccc(O)c1 Amb10071358 [0,1,0,1,0,0|2,0,0]=4 820 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Amb33544221 [0,1,0,1,0,0|1,0,1]=4 821 B11R1.20 O=C(O)CC1=NNC(=O)C=C1 Amb18211856 [0,1,0,1,0,0|1,0,1]=4 822 B11R1.20 O=C(O)Cc1ccc(O)cc1 Amb1214964 [0,1,0,1,0,0|1,0,1]=4 823 B11R1.20 O=C(O)Cc1ccc(O)cn1 Amb26848856 [0,1,0,1,0,0|1,0,1]=4 824 B11R1.23 C=CC(=O)c1cccc(O)c1 Amb18124877 [0,1,0,1,0,0|2,0,0]=4 825 B11R1.23 CCC(=O)c1cccc(O)c1 Amb8387616 [0,1,0,1,0,0|2,0,0]=4 826 B11R1.23 CNC(=O)c1cccc(O)c1 Amb6671640 [0,1,0,1,0,0|2,0,0]=4 827 B11R1.23 COC(=O)C1=CC=CC(=O)N1 Amb21963502 [0,1,0,1,0,0|1,0,0]=3 828 B11R1.23 COC(=O)C1=NC(=O)NC=C1 Amb22275937 [0,1,0,1,0,0|2,0,0]=4 829 B11R1.23 COC(=O)C1=NC=CC(=O)N1 Amb27795334 [0,1,0,1,0,0|2,0,0]=4 830 B11R1.23 COC(=O)c1cc(O)ccn1 Amb10603787 [0,1,0,1,0,0|2,0,0]=4 831 B11R1.23 COC(=O)c1cc(O)ccn1 Amb22754537 [0,1,0,1,0,0|2,0,0]=4 832 B11R1.23 COC(=O)c1cccc(Br)c1 Amb3939648 [0,1,0,1,0,0|2,0,0]=4 833 B11R1.23 COC(=O)c1cccc(Br)n1 Amb2684088 [0,1,0,1,0,0|2,0,0]=4 834 B11R1.23 COC(=O)c1cccc(C)c1 Amb2726160 [0,1,0,1,0,0|2,0,0]=4 835 B11R1.23 COC(=O)c1cccc(C)n1 Amb2694578 [0,1,0,1,0,0|2,0,0]=4 836 B11R1.23 COC(=O)c1cccc(Cl)c1 Amb6365788 [0,1,0,1,0,0|2,0,0]=4 837 B11R1.23 COC(=O)c1cccc(Cl)n1 Amb1197599 [0,1,0,1,0,0|2,0,0]=4 838 B11R1.23 COC(=O)c1cccc(F)c1 Amb2689435 [0,1,0,1,0,0|2,0,0]=4 839 B11R1.23 COC(=O)c1cccc(F)n1 Amb16231928 [0,1,0,1,0,0|2,0,0]=4 840 B11R1.23 COC(=O)c1cccc(I)c1 Amb4009338 [0,1,0,1,0,0|2,0,0]=4 841 B11R1.23 COC(=O)c1cccc(I)n1 Amb6565078 [0,1,0,1,0,0|2,0,0]=4 842 B11R1.23 COC(=O)c1cccc(N)c1 Amb22001392 [0,1,0,1,0,0|2,0,0]=4 843 B11R1.23 COC(=O)c1cccc(N)c1 Amb6358036 [0,1,0,1,0,0|2,0,0]=4 844 B11R1.23 COC(=O)c1cccc(N)n1 Amb32992412 [0,1,0,1,0,0|2,0,0]=4 845 B11R1.23 COC(=O)c1cccc(N)n1 Amb8630858 [0,1,0,1,0,0|2,0,0]=4 846 B11R1.23 COC(=O)c1cccc(O)c1 Amb6355858 [0,1,0,1,0,0|1,0,0]=3 847 B11R1.23 COC(=O)c1cccc(S)c1 Amb17617595 [0,1,0,1,0,0|1,1,0]=4 848 B11R1.23 COC(=O)c1cccc(S)n1 Amb27211042 [0,1,0,1,0,0|1,1,0]=4 849 B11R1.23 COC(=O)c1ccnc(O)c1 Amb22741052 [0,1,0,1,0,0|2,0,0]=4 850 B11R1.23 COC(=O)c1ccnc(O)c1 Amb35749332 [0,1,0,1,0,0|2,0,0]=4 851 B11R1.23 COC(=O)c1cncc(O)c1 Amb17739876 [0,1,0,1,0,0|2,0,0]=4 852 B11R1.23 COC(=O)c1cncc(O)c1 Amb580916 [0,1,0,1,0,0|2,0,0]=4 853 B11R1.23 C\C(=N/O)c1cccc(O)c1 Amb27948502 [0,1,0,1,0,0|2,0,0]=4 854 B11R1.23 C\C(=N\O)c1cccc(O)c1 Amb26624798 [0,1,0,1,0,0|2,0,0]=4 855 B11R1.23 Cc1cccc(C(=O)CO)c1 Amb18182731 [0,1,0,1,0,0|2,0,0]=4 856 B11R1.23 Cc1cccc(C(=O)NO)c1 Amb6258947 [0,1,0,1,0,0|2,0,0]=4 857 B11R1.23 Cc1cccc(C(=O)NO)n1 Amb6272417 [0,1,0,1,0,0|2,0,0]=4 858 B11R1.23 NCC(=O)c1cccc(O)c1 Amb17593761 [0,1,0,1,0,0|2,0,0]=4 859 B11R1.23 NCC(=O)c1cccc(O)c1 Amb33801517 [0,1,0,1,0,0|2,0,0]=4 860 B11R1.23 NNC(=O)C1=CC=CC(=O)N1 Amb27963703 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.23 NNC(=O)c1cccc(O)c1 Amb1208719 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.23 N\C(=N/O)c1cccc(O)c1 Amb8831945 [0,1,0,1,0,0|2,0,0]=4 863 B11R1.23 N\C(=N\O)c1cccc(O)c1 Amb22044213 [0,1,0,1,0,0|2,0,0]=4 864 B11R1.23 N\C(=N\O)c1cccc(O)n1 Amb28146677 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.23 Nc1cccc(C(=O)NO)n1 Amb28067146 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.23 O=C(CBr)c1cccc(O)c1 Amb1981340 [0,1,0,1,0,0|2,0,0]=4 867 B11R1.23 O=C(CO)c1cccc(Br)c1 Amb24579747 [0,1,0,1,0,0|2,0,0]=4 868 B11R1.23 O=C(CO)c1cccc(Cl)c1 Amb18185666 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.23 O=C(CO)c1cccc(F)c1 Amb18182894 [0,1,0,1,0,0|2,0,0]=4 870 B11R1.23 O=C(CO)c1cccc(I)c1 Amb33623872 [0,1,0,1,0,0|2,0,0]=4 871 B11R1.23 O=C(NO)c1cccc(Br)c1 Amb6275747 [0,1,0,1,0,0|2,0,0]=4 872 B11R1.23 O=C(NO)c1cccc(Cl)c1 Amb6265167 [0,1,0,1,0,0|2,0,0]=4 873 B11R1.23 O=C(NO)c1cccc(Cl)n1 Amb25187424 [0,1,0,1,0,0|2,0,0]=4 874 B11R1.23 O=C(NO)c1cccc(F)c1 Amb6267435 [0,1,0,1,0,0|2,0,0]=4 875 B11R1.23 O=C(NO)c1cccc(F)n1 Amb28400271 [0,1,0,1,0,0|2,0,0]=4 876 B11R1.23 O=C(NO)c1cccc(O)c1 Amb6270436 [0,1,0,1,0,0|1,0,0]=3 877 B11R1.23 O=C(NO)c1cncc(O)c1 Amb27479252 [0,1,0,1,0,0|2,0,0]=4 878 B11R1.23 O=C(OO)c1cccc(Cl)c1 Amb6365645 [0,1,0,1,0,0|2,0,0]=4 879 B11R1.23 O=C1C=CC=C(C(=O)NO)N1 Amb28285969 [0,1,0,1,0,0|1,0,0]=3 880 B11R1.23 O=CC(=O)c1cccc(O)c1 Amb18125054 [0,1,0,1,0,0|1,0,1]=4 881 B11R1.23 O=NN(O)c1cccc(O)c1 Amb27599441 [0,1,0,1,0,0|2,0,0]=4 882 B11R1.23 O\N=C(/Cl)c1cccc(O)c1 Amb27255465 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.39 COC(=O)Cc1ccc(Br)o1 Amb27659893 [0,1,0,1,0,0|1,0,1]=4 884 B11R1.39 COC(=O)Cc1ccc(C)o1 Amb26848833 [0,1,0,1,0,0|1,0,1]=4 885 B11R1.39 C\C(=C/c1ccc(C)o1)CO Amb5494054 [0,1,0,1,0,0|2,0,0]=4 886 B11R1.39 C\C(=C\c1ccc(C)o1)CO Amb27752591 [0,1,0,1,0,0|2,0,0]=4 887 B11R1.39 C\C(=C\c1ccc(Cl)o1)CO Amb27494211 [0,1,0,1,0,0|2,0,0]=4 888 B11R1.43 CC(=O)Cc1ccc(C=O)o1 Amb26463947 [0,1,0,1,0,0|1,0,1]=4 889 B11R1.43 COc1ccc(CC(=O)O)s1 Amb26844184 [0,1,0,1,0,0|0,1,1]=4 890 B11R1.43 CSc1ccc(CC(=O)O)o1 Amb18198325 [0,1,0,1,0,0|0,1,1]=4 891 B11R1.43 N#Cc1ccc(CC(=O)O)o1 Amb27600925 [0,1,0,1,0,0|1,0,1]=4 892 B11R1.43 O=C(O)Cc1ccc(CS)o1 Amb26047785 [0,1,0,1,0,0|0,1,1]=4 893 B11R1.43 O=Cc1ccc(CC(=O)O)o1 Amb26484601 [0,1,0,1,0,0|0,0,1]=3 894 B11R1.43 O=Cc1ccc(SC(=O)O)o1 Amb27176458 [0,1,0,1,0,0|1,0,0]=3 895 B11R1.159 CC(=O)C1=CC=CC(=O)C1=O Amb25099532 [0,1,0,1,0,0|1,0,1]=4 896 B11R1.159 CC(=O)N1C=CC=C(O)C1=O Amb24365196 [0,1,0,1,0,0|2,0,0]=4 897 B11R1.159 CC(=O)c1cccc(Br)c1O Amb19895168 [0,1,0,1,0,0|2,0,0]=4 898 B11R1.159 CC(=O)c1cccc(C)c1O Amb1489192 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.159 CC(=O)c1cccc(Cl)c1O Amb844172 [0,1,0,1,0,0|2,0,0]=4 900 B11R1.159 CC(=O)c1cccc(F)c1O Amb10603316 [0,1,0,1,0,0|2,0,0]=4 901 B11R1.159 CC(=O)c1cccc(N)c1O Amb32653166 [0,1,0,1,0,0|2,0,0]=4 902 B11R1.159 CC(=O)c1cccc(N)c1O Amb6297076 [0,1,0,1,0,0|2,0,0]=4 903 B11R1.159 CC(=O)c1cccc(N)c1O Amb8391120 [0,1,0,1,0,0|2,0,0]=4 904 B11R1.159 CC(=O)c1cccc(O)c1Br Amb20240870 [0,1,0,1,0,0|2,0,0]=4 905 B11R1.159 CC(=O)c1cccc(O)c1C Amb22752432 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.159 CC(=O)c1cccc(O)c1Cl Amb18126735 [0,1,0,1,0,0|2,0,0]=4 907 B11R1.159 CC(=O)c1cccc(O)c1F Amb22735577 [0,1,0,1,0,0|2,0,0]=4 908 B11R1.159 CC(=O)c1cccc(O)c1N Amb18125233 [0,1,0,1,0,0|2,0,0]=4 909 B11R1.159 CC(=O)c1cccc(O)c1O Amb10603302 [0,1,0,1,0,0|1,0,1]=4 910 B11R1.159 CC1=C(C(=O)O)C=CNC1=O Amb18201188 [0,1,0,1,0,0|2,0,0]=4 911 B11R1.159 CC1=CNC=C(C(=O)O)C1=O Amb18644554 [0,1,0,1,0,0|2,0,0]=4 912 B11R1.159 CN1C(=O)C=CC=C1C(=O)Cl Amb25028067 [0,1,0,1,0,0|2,0,0]=4 913 B11R1.159 CN1C(=O)C=CC=C1C(=O)O Amb18644552 [0,1,0,1,0,0|1,0,0]=3 914 B11R1.159 CN1C(=O)C=CC=C1C(N)=O Amb22494719 [0,1,0,1,0,0|2,0,0]=4 915 B11R1.159 CN1C(=O)N=CC=C1C(=O)O Amb27847157 [0,1,0,1,0,0|2,0,0]=4 916 B11R1.159 CN1C=CC=C(C(=O)O)C1=O Amb18038520 [0,1,0,1,0,0|2,0,0]=4 917 B11R1.159 Cc1c(Br)cccc1C(=O)O Amb2685317 [0,1,0,1,0,0|2,0,0]=4 918 B11R1.159 Cc1c(Cl)cccc1C(=O)O Amb6366012 [0,1,0,1,0,0|2,0,0]=4 919 B11R1.159 Cc1c(F)cccc1C(=O)O Amb3940032 [0,1,0,1,0,0|2,0,0]=4 920 B11R1.159 Cc1c(I)cccc1C(=O)O Amb2688855 [0,1,0,1,0,0|2,0,0]=4 921 B11R1.159 Cc1c(N)cccc1C(=O)O Amb3618855 [0,1,0,1,0,0|2,0,0]=4 922 B11R1.159 Cc1c(O)cccc1C(=O)Cl Amb24433257 [0,1,0,1,0,0|2,0,0]=4 923 B11R1.159 Cc1c(O)cccc1C(=O)O Amb8384204 [0,1,0,1,0,0|1,0,0]=3 924 B11R1.159 Cc1c(O)cccc1C(=O)[O-] Amb33512958 [0,1,0,1,0,0|1,0,1]=4 925 B11R1.159 Cc1c(O)cccc1C(O)=S Amb25359964 [0,1,0,1,0,0|1,1,0]=4 926 B11R1.159 Cc1c(O)ccnc1C(=O)O Amb17615567 [0,1,0,1,0,0|2,0,0]=4 927 B11R1.159 Cc1c(O)cncc1C(=O)O Amb25032540 [0,1,0,1,0,0|2,0,0]=4 928 B11R1.159 Cc1c(S)cccc1C(=O)O Amb24487895 [0,1,0,1,0,0|1,1,0]=4 929 B11R1.159 Cc1cccc(C(=O)O)[n+]1[O-] Amb1078520 [0,1,0,1,0,0|1,0,1]=4 930 B11R1.159 Cc1cccc(C(=O)O)c1Br Amb2685314 [0,1,0,1,0,0|2,0,0]=4 931 B11R1.159 Cc1cccc(C(=O)O)c1C Amb1207390 [0,1,0,1,0,0|2,0,0]=4 932 B11R1.159 Cc1cccc(C(=O)O)c1Cl Amb2686192 [0,1,0,1,0,0|2,0,0]=4 933 B11R1.159 Cc1cccc(C(=O)O)c1F Amb2735902 [0,1,0,1,0,0|2,0,0]=4 934 B11R1.159 Cc1cccc(C(=O)O)c1I Amb1129052 [0,1,0,1,0,0|2,0,0]=4 935 B11R1.159 Cc1cccc(C(=O)O)c1N Amb6358183 [0,1,0,1,0,0|2,0,0]=4 936 B11R1.159 Cc1cccc(C(=O)O)c1O Amb6355878 [0,1,0,1,0,0|1,0,0]=3 937 B11R1.159 Cc1cccc(C(=O)O)c1S Amb18126519 [0,1,0,1,0,0|1,1,0]=4 938 B11R1.159 Cc1cccc(C(=O)[O-])c1O Amb10067431 [0,1,0,1,0,0|1,0,1]=4 939 B11R1.159 Cc1cccc(C(N)=O)c1O Amb6671846 [0,1,0,1,0,0|2,0,0]=4 940 B11R1.159 Cc1ccnc(C(=O)O)c1O Amb25359831 [0,1,0,1,0,0|2,0,0]=4 941 B11R1.159 Cc1ccnc(C(=O)O)c1O Amb32671475 [0,1,0,1,0,0|2,0,0]=4 942 B11R1.159 Cc1nccc(C(=O)O)c1O Amb18125511 [0,1,0,1,0,0|2,0,0]=4 943 B11R1.159 Cc1nccc(C(=O)O)c1O Amb35788655 [0,1,0,1,0,0|2,0,0]=4 944 B11R1.159 N=C1C=CC=C(C(=O)O)C1=N Amb27849034 [0,1,0,1,0,0|2,0,0]=4 945 B11R1.159 NC(=O)C1=C(O)C(=O)C=CN1 Amb25861228 [0,1,0,1,0,0|2,0,0]=4 946 B11R1.159 NC(=O)c1cccc(Br)c1O Amb22501164 [0,1,0,1,0,0|2,0,0]=4 947 B11R1.159 NC(=O)c1cccc(Cl)c1O Amb25173632 [0,1,0,1,0,0|2,0,0]=4 948 B11R1.159 NC(=O)c1cccc(I)c1O Amb27600668 [0,1,0,1,0,0|2,0,0]=4 949 B11R1.159 NC(=O)c1cccc(O)c1Br Amb28368390 [0,1,0,1,0,0|2,0,0]=4 950 B11R1.159 NC(=O)c1cccc(O)c1Cl Amb27398023 [0,1,0,1,0,0|2,0,0]=4 951 B11R1.159 NC(=O)c1cccc(O)c1F Amb24084164 [0,1,0,1,0,0|2,0,0]=4 952 B11R1.159 NC(=O)c1cccc(O)c1I Amb25095926 [0,1,0,1,0,0|2,0,0]=4 953 B11R1.159 NC(=O)c1cccc(O)c1N Amb22500704 [0,1,0,1,0,0|2,0,0]=4 954 B11R1.159 NC(=O)c1cccc(O)c1O Amb25783945 [0,1,0,1,0,0|1,0,1]=4 955 B11R1.159 NC1=C(C(=O)O)C=CNC1=O Amb18200856 [0,1,0,1,0,0|2,0,0]=4 956 B11R1.159 N[C@H]1C(C(=O)O)=CC=C[C@@H]1O Amb24088874 [0,1,0,1,0,0|1,0,1]=4 957 B11R1.159 Nc1c(Br)cccc1C(=O)O Amb2724966 [0,1,0,1,0,0|2,0,0]=4 958 B11R1.159 Nc1c(Cl)cccc1C(=O)O Amb1223239 [0,1,0,1,0,0|2,0,0]=4 959 B11R1.159 Nc1c(F)cccc1C(=O)O Amb2608596 [0,1,0,1,0,0|2,0,0]=4 960 B11R1.159 Nc1c(I)cccc1C(=O)O Amb7784298 [0,1,0,1,0,0|2,0,0]=4 961 B11R1.159 Nc1c(O)cccc1C(=O)O Amb4418489 [0,1,0,1,0,0|1,0,0]=3 962 B11R1.159 Nc1c(O)cccc1C(=O)O Amb6296629 [0,1,0,1,0,0|1,0,0]=3 963 B11R1.159 Nc1c(S)cccc1C(=O)O Amb18938265 [0,1,0,1,0,0|1,1,0]=4 964 B11R1.159 Nc1cccc(C(=O)O)c1Br Amb10842077 [0,1,0,1,0,0|2,0,0]=4 965 B11R1.159 Nc1cccc(C(=O)O)c1Cl Amb6296789 [0,1,0,1,0,0|2,0,0]=4 966 B11R1.159 Nc1cccc(C(=O)O)c1F Amb6298253 [0,1,0,1,0,0|2,0,0]=4 967 B11R1.159 Nc1cccc(C(=O)O)c1I Amb10842076 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.159 Nc1cccc(C(=O)O)c1N Amb1094141 [0,1,0,1,0,0|2,0,0]=4 969 B11R1.159 Nc1cccc(C(=O)O)c1N Amb22283993 [0,1,0,1,0,0|2,0,0]=4 970 B11R1.159 Nc1cccc(C(=O)O)c1O Amb1043752 [0,1,0,1,0,0|1,0,0]=3 971 B11R1.159 Nc1cccc(C(=O)O)c1S Amb24710021 [0,1,0,1,0,0|1,1,0]=4 972 B11R1.159 Nc1ccnc(C(=O)O)c1O Amb27186184 [0,1,0,1,0,0|2,0,0]=4 973 B11R1.159 O=C(Cl)c1cccc(Br)c1O Amb27230332 [0,1,0,1,0,0|2,0,0]=4 974 B11R1.159 O=C(Cl)c1cccc(O)c1Br Amb25270679 [0,1,0,1,0,0|2,0,0]=4 975 B11R1.159 O=C(Cl)c1cccc(O)c1Cl Amb28062958 [0,1,0,1,0,0|2,0,0]=4 976 B11R1.159 O=C(Cl)c1cccc(O)c1F Amb28195871 [0,1,0,1,0,0|2,0,0]=4 977 B11R1.159 O=C(O)C1=C(O)C(=O)C=CO1 Amb27400361 [0,1,0,1,0,0|1,0,0]=3 978 B11R1.159 O=C(O)C1=C(O)C(=O)NC=C1 Amb18200553 [0,1,0,1,0,0|1,0,0]=3 979 B11R1.159 O=C(O)C1=CC=CC(=O)N1O Amb19959009 [0,1,0,1,0,0|0,0,0]=2 980 B11R1.159 O=C(O)C1=CC=CC(=S)N1O Amb28124200 [0,1,0,1,0,0|0,1,0]=3 981 B11R1.159 O=C(O)C1=CC=CC(Br)[N+]1=O Amb33972995 [0,1,0,1,0,0|1,0,1]=4 982 B11R1.159 O=C(O)C1=CC=CN(O)C1=O Amb18038305 [0,1,0,1,0,0|1,0,0]=3 983 B11R1.159 O=C(O)C1=CNC=C(Cl)C1=O Amb25893323 [0,1,0,1,0,0|2,0,0]=4 984 B11R1.159 O=C(O)C1=CNC=C(I)C1=O Amb28207203 [0,1,0,1,0,0|2,0,0]=4 985 B11R1.159 O=C(O)c1cccc(=O)n1O Amb22227966 [0,1,0,1,0,0|0,0,0]=2 986 B11R1.159 O=C(O)c1cccc(Br)[n+]1[O-] Amb24634518 [0,1,0,1,0,0|1,0,1]=4 987 B11R1.159 O=C(O)c1cccc(Br)c1Br Amb22228260 [0,1,0,1,0,0|2,0,0]=4 988 B11R1.159 O=C(O)c1cccc(Br)c1Cl Amb16231626 [0,1,0,1,0,0|2,0,0]=4 989 B11R1.159 O=C(O)c1cccc(Br)c1F Amb2685189 [0,1,0,1,0,0|2,0,0]=4 990 B11R1.159 O=C(O)c1cccc(Br)c1I Amb20634419 [0,1,0,1,0,0|2,0,0]=4 991 B11R1.159 O=C(O)c1cccc(Br)c1O Amb6298168 [0,1,0,1,0,0|1,0,0]=3 992 B11R1.159 O=C(O)c1cccc(Cl)c1Br Amb19888103 [0,1,0,1,0,0|2,0,0]=4 993 B11R1.159 O=C(O)c1cccc(Cl)c1Cl Amb1207372 [0,1,0,1,0,0|2,0,0]=4 994 B11R1.159 O=C(O)c1cccc(Cl)c1F Amb2447457 [0,1,0,1,0,0|2,0,0]=4 995 B11R1.159 O=C(O)c1cccc(Cl)c1I Amb20076024 [0,1,0,1,0,0|2,0,0]=4 996 B11R1.159 O=C(O)c1cccc(Cl)c1O Amb7764649 [0,1,0,1,0,0|1,0,0]=3 997 B11R1.159 O=C(O)c1cccc(Cl)c1S Amb18650043 [0,1,0,1,0,0|1,1,0]=4 998 B11R1.159 O=C(O)c1cccc(F)c1Br Amb2685187 [0,1,0,1,0,0|2,0,0]=4 999 B11R1.159 O=C(O)c1cccc(F)c1Cl Amb2685947 [0,1,0,1,0,0|2,0,0]=4 1000 B11R1.159 O=C(O)c1cccc(F)c1F Amb2687070 [0,1,0,1,0,0|2,0,0]=4 1001 B11R1.159 O=C(O)c1cccc(F)c1I Amb8397074 [0,1,0,1,0,0|2,0,0]=4 1002 B11R1.159 O=C(O)c1cccc(F)c1O Amb33528918 [0,1,0,1,0,0|1,0,0]=3 1003 B11R1.159 O=C(O)c1cccc(F)c1S Amb18947820 [0,1,0,1,0,0|1,1,0]=4 1004 B11R1.159 O=C(O)c1cccc(I)c1Br Amb10976054 [0,1,0,1,0,0|2,0,0]=4 1005 B11R1.159 O=C(O)c1cccc(I)c1Cl Amb22166862 [0,1,0,1,0,0|2,0,0]=4 1006 B11R1.159 O=C(O)c1cccc(I)c1F Amb8628761 [0,1,0,1,0,0|2,0,0]=4 1007 B11R1.159 O=C(O)c1cccc(I)c1I Amb25733022 [0,1,0,1,0,0|2,0,0]=4 1008 B11R1.159 O=C(O)c1cccc(I)c1O Amb25890548 [0,1,0,1,0,0|1,0,0]=3 1009 B11R1.159 O=C(O)c1cccc(O)c1Br Amb18171413 [0,1,0,1,0,0|1,0,0]=3 1010 B11R1.159 O=C(O)c1cccc(O)c1Cl Amb22001548 [0,1,0,1,0,0|1,0,0]=3 1011 B11R1.159 O=C(O)c1cccc(O)c1F Amb2697884 [0,1,0,1,0,0|1,0,0]=3 1012 B11R1.159 O=C(O)c1cccc(O)c1I Amb25890501 [0,1,0,1,0,0|1,0,0]=3 1013 B11R1.159 O=C(O)c1cccc(O)c1O Amb2721163 [0,1,0,1,0,0|0,0,1]=3 1014 B11R1.159 O=C(O)c1cccc(O)c1S Amb25920759 [0,1,0,1,0,0|0,1,0]=3 1015 B11R1.159 O=C(O)c1cccc(S)c1Br Amb28284809 [0,1,0,1,0,0|1,1,0]=4 1016 B11R1.159 O=C(O)c1cccc(S)c1Cl Amb24334625 [0,1,0,1,0,0|1,1,0]=4 1017 B11R1.159 O=C(O)c1cccc(S)c1F Amb26480110 [0,1,0,1,0,0|1,1,0]=4 1018 B11R1.159 O=C(O)c1cccc(S)c1I Amb26470770 [0,1,0,1,0,0|1,1,0]=4 1019 B11R1.159 O=C(O)c1cccc(S)c1O Amb18647320 [0,1,0,1,0,0|0,1,0]=3 1020 B11R1.159 O=C(O)c1cccc(S)c1S Amb27878723 [0,1,0,1,0,0|0,2,0]=4 1021 B11R1.159 O=C(O)c1ccnc(Br)c1O Amb27606297 [0,1,0,1,0,0|2,0,0]=4 1022 B11R1.159 O=C(O)c1ccnc(Cl)c1O Amb33542977 [0,1,0,1,0,0|2,0,0]=4 1023 B11R1.159 O=C(O)c1ccnc(O)c1Br Amb25028146 [0,1,0,1,0,0|2,0,0]=4 1024 B11R1.159 O=C(O)c1ccnc(O)c1Cl Amb26977343 [0,1,0,1,0,0|2,0,0]=4 1025 B11R1.159 O=C(O)c1ccnc(O)c1F Amb25152815 [0,1,0,1,0,0|2,0,0]=4 1026 B11R1.159 O=C(O)c1cncc(Br)c1O Amb19958699 [0,1,0,1,0,0|2,0,0]=4 1027 B11R1.159 O=C(O)c1cncc(F)c1O Amb24099314 [0,1,0,1,0,0|2,0,0]=4 1028 B11R1.159 O=C(O)c1cncc(O)c1Br Amb24505564 [0,1,0,1,0,0|2,0,0]=4 1029 B11R1.159 O=C(O)c1cncc(O)c1F Amb27431960 [0,1,0,1,0,0|2,0,0]=4 1030 B11R1.159 O=C(O)c1nccc(Br)c1O Amb27617463 [0,1,0,1,0,0|2,0,0]=4 1031 B11R1.159 O=C(O)c1nccc(Br)c1O Amb35749343 [0,1,0,1,0,0|2,0,0]=4 1032 B11R1.159 O=C(O)c1nccc(Cl)c1O Amb22057869 [0,1,0,1,0,0|2,0,0]=4 1033 B11R1.159 O=C(O)c1nccc(F)c1O Amb25352096 [0,1,0,1,0,0|2,0,0]=4 1034 B11R1.159 O=C(O)c1nccc(O)c1Br Amb25208591 [0,1,0,1,0,0|2,0,0]=4 1035 B11R1.159 O=C(O)c1nccc(O)c1Cl Amb27617270 [0,1,0,1,0,0|2,0,0]=4 1036 B11R1.159 O=C(O)c1nccc(O)c1O Amb24740856 [0,1,0,1,0,0|1,0,1]=4 1037 B11R1.159 [NH3+]c1cccc(C(=O)O)c1O Amb22641593 [0,1,0,1,0,0|1,0,0]=3 1038 B11R1.266 C#Cc1cccc(C(=O)O)c1 Amb10603689 [0,1,0,1,0,0|2,0,0]=4 1039 B11R1.266 C=Cc1cccc(C(=O)O)c1 Amb9825008 [0,1,0,1,0,0|2,0,0]=4 1040 B11R1.266 C=Cc1cccc(C(=O)O)n1 Amb25790049 [0,1,0,1,0,0|2,0,0]=4 1041 B11R1.266 CC(=O)c1cccc(C=O)c1 Amb10607476 [0,1,0,1,0,0|2,0,0]=4 1042 B11R1.266 CC(=O)c1cccc(CO)c1 Amb10608833 [0,1,0,1,0,0|2,0,0]=4 1043 B11R1.266 CC(=O)c1cccc(CO)n1 Amb8387566 [0,1,0,1,0,0|2,0,0]=4 1044 B11R1.266 CC(=O)c1cccc(N=O)c1 Amb25087142 [0,1,0,1,0,0|2,0,0]=4 1045 B11R1.266 CCc1cccc(C(=O)O)c1 Amb8439094 [0,1,0,1,0,0|2,0,0]=4 1046 B11R1.266 CCc1cccc(C(=O)O)n1 Amb21857614 [0,1,0,1,0,0|2,0,0]=4 1047 B11R1.266 CCc1cccc(C(=O)O)n1 Amb8630986 [0,1,0,1,0,0|2,0,0]=4 1048 B11R1.266 CNc1cccc(C(=O)O)c1 Amb17306309 [0,1,0,1,0,0|2,0,0]=4 1049 B11R1.266 CNc1cccc(C(=O)O)c1 Amb22899076 [0,1,0,1,0,0|2,0,0]=4 1050 B11R1.266 CNc1cccc(C(=O)O)n1 Amb18959747 [0,1,0,1,0,0|2,0,0]=4 1051 B11R1.266 COc1cc(C(=O)O)ccn1 Amb1102567 [0,1,0,1,0,0|2,0,0]=4 1052 B11R1.266 COc1cccc(C(=O)Cl)c1 Amb2689093 [0,1,0,1,0,0|2,0,0]=4 1053 B11R1.266 COc1cccc(C(=O)F)c1 Amb26980375 [0,1,0,1,0,0|2,0,0]=4 1054 B11R1.266 COc1cccc(C(=O)O)c1 Amb1227738 [0,1,0,1,0,0|1,0,0]=3 1055 B11R1.266 COc1cccc(C(=O)O)n1 Amb6565076 [0,1,0,1,0,0|1,0,0]=3 1056 B11R1.266 COc1cccc(C(C)=O)c1 Amb2689085 [0,1,0,1,0,0|2,0,0]=4 1057 B11R1.266 COc1cccc(C(C)=O)n1 Amb10601920 [0,1,0,1,0,0|2,0,0]=4 1058 B11R1.266 COc1cccc(C(N)=O)c1 Amb3886598 [0,1,0,1,0,0|2,0,0]=4 1059 B11R1.266 COc1cccc(C(N)=O)n1 Amb6565090 [0,1,0,1,0,0|2,0,0]=4 1060 B11R1.266 COc1cccc(S(=O)O)c1 Amb18862872 [0,1,0,1,0,0|2,0,0]=4 1061 B11R1.266 COc1cccc(S(=O)O)n1 Amb26497831 [0,1,0,1,0,0|2,0,0]=4 1062 B11R1.266 COc1ccnc(C(=O)O)c1 Amb2795315 [0,1,0,1,0,0|2,0,0]=4 1063 B11R1.266 COc1ccnc(C(=O)O)c1 Amb6565045 [0,1,0,1,0,0|2,0,0]=4 1064 B11R1.266 COc1cncc(C(=O)O)c1 Amb2795316 [0,1,0,1,0,0|2,0,0]=4 1065 B11R1.266 COc1cncc(C(=O)O)n1 Amb8009484 [0,1,0,1,0,0|2,0,0]=4 1066 B11R1.266 COc1nccc(C(=O)O)n1 Amb18125652 [0,1,0,1,0,0|2,0,0]=4 1067 B11R1.266 CSc1cccc(C(=O)O)c1 Amb8387513 [0,1,0,1,0,0|1,1,0]=4 1068 B11R1.266 CSc1cccc(C(=O)O)n1 Amb18284988 [0,1,0,1,0,0|1,1,0]=4 1069 B11R1.266 N#Cc1cccc(C(=O)O)c1 Amb1208364 [0,1,0,1,0,0|2,0,0]=4 1070 B11R1.266 N#Cc1cccc(C(=O)O)n1 Amb16192027 [0,1,0,1,0,0|2,0,0]=4 1071 B11R1.266 NC(=O)c1cccc(C=O)c1 Amb19514706 [0,1,0,1,0,0|2,0,0]=4 1072 B11R1.266 NC(=O)c1cccc(C=O)n1 Amb26495069 [0,1,0,1,0,0|2,0,0]=4 1073 B11R1.266 NC(=O)c1cccc(CO)c1 Amb9421378 [0,1,0,1,0,0|2,0,0]=4 1074 B11R1.266 NC(=O)c1cccc(CO)n1 Amb16231067 [0,1,0,1,0,0|2,0,0]=4 1075 B11R1.266 NCc1cccc(C(=O)O)c1 Amb535343 [0,1,0,1,0,0|2,0,0]=4 1076 B11R1.266 NCc1cccc(C(=O)O)c1 Amb8630062 [0,1,0,1,0,0|2,0,0]=4 1077 B11R1.266 NCc1cccc(C(=O)O)n1 Amb16231963 [0,1,0,1,0,0|2,0,0]=4 1078 B11R1.266 NCc1cccc(C(=O)O)n1 Amb22727985 [0,1,0,1,0,0|2,0,0]=4 1079 B11R1.266 NNc1cccc(C(=O)O)c1 Amb10664885 [0,1,0,1,0,0|2,0,0]=4 1080 B11R1.266 NNc1cccc(C(=O)O)c1 Amb2234498 [0,1,0,1,0,0|2,0,0]=4 1081 B11R1.266 NNc1cccc(C(=O)O)n1 Amb16230599 [0,1,0,1,0,0|2,0,0]=4 1082 B11R1.266 NOc1cccc(C(=O)O)c1 Amb8388259 [0,1,0,1,0,0|1,0,0]=3 1083 B11R1.266 O=Bc1cccc(C(=O)Cl)c1 Amb17938054 [0,1,0,1,0,0|2,0,0]=4 1084 B11R1.266 O=C(O)c1cc(CO)ccn1 Amb3319274 [0,1,0,1,0,0|2,0,0]=4 1085 B11R1.266 O=C(O)c1cccc(CBr)c1 Amb1213401 [0,1,0,1,0,0|2,0,0]=4 1086 B11R1.266 O=C(O)c1cccc(CBr)n1 Amb2694907 [0,1,0,1,0,0|2,0,0]=4 1087 B11R1.266 O=C(O)c1cccc(CCl)c1 Amb2609963 [0,1,0,1,0,0|2,0,0]=4 1088 B11R1.266 O=C(O)c1cccc(CCl)n1 Amb27617286 [0,1,0,1,0,0|2,0,0]=4 1089 B11R1.266 O=C(O)c1cccc(CF)c1 Amb27791782 [0,1,0,1,0,0|2,0,0]=4 1090 B11R1.266 O=C(O)c1cccc(CF)n1 Amb27210941 [0,1,0,1,0,0|2,0,0]=4 1091 B11R1.266 O=C(O)c1cccc(CO)c1 Amb6296522 [0,1,0,1,0,0|1,0,0]=3 1092 B11R1.266 O=C(O)c1cccc(CO)n1 Amb32409793 [0,1,0,1,0,0|1,0,0]=3 1093 B11R1.266 O=C(O)c1cccc(CO)n1 Amb8010246 [0,1,0,1,0,0|1,0,0]=3 1094 B11R1.266 O=C(O)c1cccc(CS)c1 Amb6892057 [0,1,0,1,0,0|1,1,0]=4 1095 B11R1.266 O=C(O)c1ccnc(CO)c1 Amb21857371 [0,1,0,1,0,0|2,0,0]=4 1096 B11R1.266 O=C(O)c1ccnc(CO)c1 Amb30584723 [0,1,0,1,0,0|2,0,0]=4 1097 B11R1.266 O=C(O)c1ccnc(CO)n1 Amb27664101 [0,1,0,1,0,0|2,0,0]=4 1098 B11R1.266 O=C(O)c1ccnc(NO)c1 Amb28042628 [0,1,0,1,0,0|2,0,0]=4 1099 B11R1.266 O=C(O)c1cncc(CO)c1 Amb28291288 [0,1,0,1,0,0|2,0,0]=4 1100 B11R1.266 O=Cc1cc(C(=O)O)ccn1 Amb21857065 [0,1,0,1,0,0|2,0,0]=4 1101 B11R1.266 O=Cc1cccc(C(=O)Cl)c1 Amb22893506 [0,1,0,1,0,0|2,0,0]=4 1102 B11R1.266 O=Cc1cccc(C(=O)O)c1 Amb2721214 [0,1,0,1,0,0|1,0,0]=3 1103 B11R1.266 O=Cc1cccc(C(=O)O)n1 Amb18201819 [0,1,0,1,0,0|1,0,0]=3 1104 B11R1.266 O=Cc1cccc(C(=O)O)n1 Amb32655951 [0,1,0,1,0,0|1,0,0]=3 1105 B11R1.266 O=Cc1ccnc(C(=O)O)c1 Amb22500483 [0,1,0,1,0,0|2,0,0]=4 1106 B11R1.266 O=Cc1cncc(C(=O)O)c1 Amb2795633 [0,1,0,1,0,0|2,0,0]=4 1107 B11R1.266 O=Cc1cncc(C(=O)O)c1 Amb32753667 [0,1,0,1,0,0|2,0,0]=4 1108 B11R1.266 O=Cc1cncc(C(=O)O)n1 Amb27442133 [0,1,0,1,0,0|2,0,0]=4 1109 B11R1.565 CC(=O)C1=CC=CC(=O)C=C1 Amb24379508 [0,1,0,1,0,0|2,0,0]=4 1110 B11R1.870 COC(=O)C1C=C[C@@H]1C(=O)O Amb27273537 [0,1,0,1,0,0|0,0,2]=4 1111 B11R1.870 COC(=O)[C@@H]1C=C[C@@H]1C(=O)O Amb28437093 [0,1,0,1,0,0|0,0,2]=4 1112 B11R1.870 COC(=O)[C@@H]1C=C[C@H]1C(=O)O Amb25911999 [0,1,0,1,0,0|0,0,2]=4 1113 B11R1.870 COC(=O)[C@H]1C=C[C@@H]1C(=O)O Amb27645479 [0,1,0,1,0,0|0,0,2]=4 1114 B11R1.74 CC(=O)c1cc(C)cc(O)c1 Amb18125103 [0,1,0,1,0,0|2,0,0]=4 1115 B11R1.74 CC(=O)c1cc(I)cc(O)n1 Amb27273356 [0,1,0,1,0,0|2,0,0]=4 1116 B11R1.74 CC(=O)c1cc(O)cc(Br)c1 Amb26030952 [0,1,0,1,0,0|2,0,0]=4 1117 B11R1.74 CC(=O)c1cc(O)cc(Cl)c1 Amb25684683 [0,1,0,1,0,0|2,0,0]=4 1118 B11R1.74 CC(=O)c1cc(O)cc(F)c1 Amb27878504 [0,1,0,1,0,0|2,0,0]=4 1119 B11R1.74 CC(=O)c1cc(O)cc(O)c1 Amb2687304 [0,1,0,1,0,0|2,0,0]=4 1120 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 Amb19517028 [0,1,0,1,0,0|2,0,0]=4 1121 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 Amb18125636 [0,1,0,1,0,0|1,0,0]=3 1122 B11R1.74 CC1=CC(=O)OC(C(=O)Cl)=C1 Amb25114186 [0,1,0,1,0,0|1,0,0]=3 1123 B11R1.74 CC1=CC(=O)OC(C(N)=O)=C1 Amb19664809 [0,1,0,1,0,0|1,0,0]=3 1124 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 Amb18125515 [0,1,0,1,0,0|2,0,0]=4 1125 B11R1.74 CC1=NC(=O)NC(C(=O)O)=C1 Amb18529650 [0,1,0,1,0,0|2,0,0]=4 1126 B11R1.74 Cc1cc(Br)cc(C(=O)O)c1 Amb4018978 [0,1,0,1,0,0|2,0,0]=4 1127 B11R1.74 Cc1cc(Br)cc(C(=O)O)n1 Amb18769911 [0,1,0,1,0,0|2,0,0]=4 1128 B11R1.74 Cc1cc(Br)cc(C(=O)O)n1 Amb24065882 [0,1,0,1,0,0|2,0,0]=4 1129 B11R1.74 Cc1cc(Br)nc(C(=O)O)c1 Amb27158261 [0,1,0,1,0,0|2,0,0]=4 1130 B11R1.74 Cc1cc(C(=O)O)cc(O)n1 Amb2724733 [0,1,0,1,0,0|2,0,0]=4 1131 B11R1.74 Cc1cc(C(=O)O)nc(O)n1 Amb20623077 [0,1,0,1,0,0|2,0,0]=4 1132 B11R1.74 Cc1cc(C(=O)O)nc(O)n1 Amb7088918 [0,1,0,1,0,0|2,0,0]=4 1133 B11R1.74 Cc1cc(C)cc(C(=O)O)c1 Amb2387602 [0,1,0,1,0,0|2,0,0]=4 1134 B11R1.74 Cc1cc(C)nc(C(=O)O)c1 Amb1299546 [0,1,0,1,0,0|2,0,0]=4 1135 B11R1.74 Cc1cc(C)nc(C(=O)O)c1 Amb22886606 [0,1,0,1,0,0|2,0,0]=4 1136 B11R1.74 Cc1cc(Cl)cc(C(=O)O)c1 Amb19944112 [0,1,0,1,0,0|2,0,0]=4 1137 B11R1.74 Cc1cc(Cl)cc(C(=O)O)n1 Amb18647567 [0,1,0,1,0,0|2,0,0]=4 1138 B11R1.74 Cc1cc(Cl)cc(C(=O)O)n1 Amb24183683 [0,1,0,1,0,0|2,0,0]=4 1139 B11R1.74 Cc1cc(Cl)nc(C(=O)O)c1 Amb10603051 [0,1,0,1,0,0|2,0,0]=4 1140 B11R1.74 Cc1cc(F)cc(C(=O)O)c1 Amb8397076 [0,1,0,1,0,0|2,0,0]=4 1141 B11R1.74 Cc1cc(F)nc(C(=O)O)c1 Amb25240548 [0,1,0,1,0,0|2,0,0]=4 1142 B11R1.74 Cc1cc(I)cc(C(=O)O)c1 Amb24329104 [0,1,0,1,0,0|2,0,0]=4 1143 B11R1.74 Cc1cc(I)nc(C(=O)O)c1 Amb27600028 [0,1,0,1,0,0|2,0,0]=4 1144 B11R1.74 Cc1cc(N)cc(C(=O)O)c1 Amb32652794 [0,1,0,1,0,0|2,0,0]=4 1145 B11R1.74 Cc1cc(N)cc(C(=O)O)c1 Amb6308349 [0,1,0,1,0,0|2,0,0]=4 1146 B11R1.74 Cc1cc(N)cc(C(=O)O)n1 Amb18201465 [0,1,0,1,0,0|2,0,0]=4 1147 B11R1.74 Cc1cc(N)nc(C(=O)O)c1 Amb26549149 [0,1,0,1,0,0|2,0,0]=4 1148 B11R1.74 Cc1cc(O)cc(C(=O)Cl)c1 Amb27244740 [0,1,0,1,0,0|2,0,0]=4 1149 B11R1.74 Cc1cc(O)cc(C(=O)O)c1 Amb8384681 [0,1,0,1,0,0|1,0,0]=3 1150 B11R1.74 Cc1cc(O)cc(C(N)=O)c1 Amb20621087 [0,1,0,1,0,0|2,0,0]=4 1151 B11R1.74 Cc1cc(O)nc(C(=O)O)c1 Amb2697966 [0,1,0,1,0,0|1,0,0]=3 1152 B11R1.74 Cc1cc(S)cc(C(=O)O)c1 Amb25891783 [0,1,0,1,0,0|1,1,0]=4 1153 B11R1.74 NC(=O)C1=CC(O)=CC(=O)O1 Amb27163109 [0,1,0,1,0,0|1,0,0]=3 1154 B11R1.74 NC(=O)c1cc(N)cc(O)c1 Amb22498318 [0,1,0,1,0,0|2,0,0]=4 1155 B11R1.74 NC(=O)c1cc(O)cc(Br)c1 Amb25064813 [0,1,0,1,0,0|2,0,0]=4 1156 B11R1.74 NC(=O)c1cc(O)cc(Cl)c1 Amb25808637 [0,1,0,1,0,0|2,0,0]=4 1157 B11R1.74 NC(=O)c1cc(O)cc(F)c1 Amb25360845 [0,1,0,1,0,0|2,0,0]=4 1158 B11R1.74 NC(=O)c1cc(O)cc(O)c1 Amb4017554 [0,1,0,1,0,0|2,0,0]=4 1159 B11R1.74 NC1=CC(=O)C=C(C(=O)O)N1 Amb24520598 [0,1,0,1,0,0|2,0,0]=4 1160 B11R1.74 NC1=CC(C(=O)O)=CC(=O)N1 Amb18200850 [0,1,0,1,0,0|2,0,0]=4 1161 B11R1.74 Nc1cc(Br)cc(C(=O)O)c1 Amb4017258 [0,1,0,1,0,0|2,0,0]=4 1162 B11R1.74 Nc1cc(Br)cc(C(=O)O)n1 Amb22292443 [0,1,0,1,0,0|2,0,0]=4 1163 B11R1.74 Nc1cc(Br)nc(C(=O)O)c1 Amb22292447 [0,1,0,1,0,0|2,0,0]=4 1164 B11R1.74 Nc1cc(Cl)cc(C(=O)O)c1 Amb6308355 [0,1,0,1,0,0|2,0,0]=4 1165 B11R1.74 Nc1cc(Cl)cc(C(=O)O)n1 Amb18198129 [0,1,0,1,0,0|2,0,0]=4 1166 B11R1.74 Nc1cc(F)cc(C(=O)O)c1 Amb6308354 [0,1,0,1,0,0|2,0,0]=4 1167 B11R1.74 Nc1cc(F)nc(C(=O)O)c1 Amb24340397 [0,1,0,1,0,0|2,0,0]=4 1168 B11R1.74 Nc1cc(I)cc(C(=O)O)c1 Amb6308353 [0,1,0,1,0,0|2,0,0]=4 1169 B11R1.74 Nc1cc(I)cc(C(=O)O)n1 Amb28182553 [0,1,0,1,0,0|2,0,0]=4 1170 B11R1.74 Nc1cc(I)nc(C(=O)O)c1 Amb27602626 [0,1,0,1,0,0|2,0,0]=4 1171 B11R1.74 Nc1cc(N)cc(C(=O)O)c1 Amb4349335 [0,1,0,1,0,0|2,0,0]=4 1172 B11R1.74 Nc1cc(O)cc(C(=O)O)c1 Amb6308343 [0,1,0,1,0,0|1,0,0]=3 1173 B11R1.74 Nc1cc(O)cc(C(=O)O)c1 Amb6572450 [0,1,0,1,0,0|1,0,0]=3 1174 B11R1.74 Nc1cc(O)nc(C(=O)O)c1 Amb28042278 [0,1,0,1,0,0|1,0,0]=3 1175 B11R1.74 Nc1cc(O)nc(C(=O)O)n1 Amb27875084 [0,1,0,1,0,0|2,0,0]=4 1176 B11R1.74 O=C(Cl)c1cc(O)cc(Br)c1 Amb24727270 [0,1,0,1,0,0|2,0,0]=4 1177 B11R1.74 O=C(Cl)c1cc(O)cc(Cl)c1 Amb27848198 [0,1,0,1,0,0|2,0,0]=4 1178 B11R1.74 O=C(Cl)c1cc(O)cc(F)c1 Amb25152820 [0,1,0,1,0,0|2,0,0]=4 1179 B11R1.74 O=C(O)c1cc(Br)cc(Br)c1 Amb2724224 [0,1,0,1,0,0|2,0,0]=4 1180 B11R1.74 O=C(O)c1cc(Br)cc(Cl)n1 Amb22292444 [0,1,0,1,0,0|2,0,0]=4 1181 B11R1.74 O=C(O)c1cc(Br)cc(F)n1 Amb27655034 [0,1,0,1,0,0|2,0,0]=4 1182 B11R1.74 O=C(O)c1cc(Br)cc(I)c1 Amb6297373 [0,1,0,1,0,0|2,0,0]=4 1183 B11R1.74 O=C(O)c1cc(Br)cc(O)n1 Amb24555661 [0,1,0,1,0,0|1,0,0]=3 1184 B11R1.74 O=C(O)c1cc(Cl)cc(Br)c1 Amb10070312 [0,1,0,1,0,0|2,0,0]=4 1185 B11R1.74 O=C(O)c1cc(Cl)cc(Br)n1 Amb18158682 [0,1,0,1,0,0|2,0,0]=4 1186 B11R1.74 O=C(O)c1cc(Cl)cc(Cl)c1 Amb535705 [0,1,0,1,0,0|2,0,0]=4 1187 B11R1.74 O=C(O)c1cc(Cl)cc(Cl)n1 Amb16185753 [0,1,0,1,0,0|2,0,0]=4 1188 B11R1.74 O=C(O)c1cc(Cl)cc(I)c1 Amb10069352 [0,1,0,1,0,0|2,0,0]=4 1189 B11R1.74 O=C(O)c1cc(Cl)cc(O)n1 Amb18197852 [0,1,0,1,0,0|1,0,0]=3 1190 B11R1.74 O=C(O)c1cc(F)cc(Br)c1 Amb2685190 [0,1,0,1,0,0|2,0,0]=4 1191 B11R1.74 O=C(O)c1cc(F)cc(Br)n1 Amb24695203 [0,1,0,1,0,0|2,0,0]=4 1192 B11R1.74 O=C(O)c1cc(F)cc(Cl)c1 Amb2685951 [0,1,0,1,0,0|2,0,0]=4 1193 B11R1.74 O=C(O)c1cc(F)cc(F)c1 Amb1227715 [0,1,0,1,0,0|2,0,0]=4 1194 B11R1.74 O=C(O)c1cc(F)cc(F)n1 Amb8389952 [0,1,0,1,0,0|2,0,0]=4 1195 B11R1.74 O=C(O)c1cc(F)cc(I)c1 Amb8628770 [0,1,0,1,0,0|2,0,0]=4 1196 B11R1.74 O=C(O)c1cc(F)cc(S)c1 Amb28203461 [0,1,0,1,0,0|1,1,0]=4 1197 B11R1.74 O=C(O)c1cc(I)cc(Cl)n1 Amb27411302 [0,1,0,1,0,0|2,0,0]=4 1198 B11R1.74 O=C(O)c1cc(I)cc(I)c1 Amb2687313 [0,1,0,1,0,0|2,0,0]=4 1199 B11R1.74 O=C(O)c1cc(O)cc(Br)c1 Amb19959245 [0,1,0,1,0,0|1,0,0]=3 1200 B11R1.74 O=C(O)c1cc(O)cc(Br)n1 Amb25776256 [0,1,0,1,0,0|2,0,0]=4 1201 B11R1.74 O=C(O)c1cc(O)cc(Cl)c1 Amb6298695 [0,1,0,1,0,0|1,0,0]=3 1202 B11R1.74 O=C(O)c1cc(O)cc(Cl)n1 Amb24470431 [0,1,0,1,0,0|2,0,0]=4 1203 B11R1.74 O=C(O)c1cc(O)cc(F)c1 Amb10840750 [0,1,0,1,0,0|1,0,0]=3 1204 B11R1.74 O=C(O)c1cc(O)cc(I)c1 Amb20240618 [0,1,0,1,0,0|1,0,0]=3 1205 B11R1.74 O=C(O)c1cc(O)cc(I)n1 Amb27217698 [0,1,0,1,0,0|2,0,0]=4 1206 B11R1.74 O=C(O)c1cc(O)cc(O)c1 Amb6296601 [0,1,0,1,0,0|1,0,0]=3 1207 B11R1.74 O=C(O)c1cc(O)cc(S)c1 Amb26597553 [0,1,0,1,0,0|1,0,0]=3 1208 B11R1.74 O=C(O)c1cc(O)nc(F)c1 Amb28066686 [0,1,0,1,0,0|2,0,0]=4 1209 B11R1.74 O=C(O)c1cc(O)nc(O)c1 Amb1083130 [0,1,0,1,0,0|2,0,0]=4 1210 B11R1.74 O=C(O)c1cc(O)nc(O)n1 Amb535346 [0,1,0,1,0,0|2,0,0]=4 1211 B11R1.74 O=C(O)c1cc(S)cc(Br)c1 Amb27221606 [0,1,0,1,0,0|1,1,0]=4 1212 B11R1.74 O=C(O)c1cc(S)cc(Cl)c1 Amb26338891 [0,1,0,1,0,0|1,1,0]=4 1213 B11R1.74 O=C(O)c1nc(O)cc(O)n1 Amb18545060 [0,1,0,1,0,0|2,0,0]=4 1214 B11R1.74 O=C1C=C(C(=O)O)C=C(Br)N1 Amb26960876 [0,1,0,1,0,0|2,0,0]=4 1215 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 Amb22728292 [0,1,0,1,0,0|2,0,0]=4 1216 B11R1.74 O=C1C=C(C(=O)O)C=C(O)N1 Amb18200555 [0,1,0,1,0,0|2,0,0]=4 1217 B11R1.74 O=C1C=C(C(=O)O)C=C(O)O1 Amb27491027 [0,1,0,1,0,0|2,0,0]=4 1218 B11R1.74 O=C1C=C(C(=O)O)CC(=O)O1 Amb22730029 [0,1,0,1,0,0|2,0,0]=4 1219 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 Amb18185805 [0,1,0,1,0,0|2,0,0]=4 1220 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 Amb19668447 [0,1,0,1,0,0|2,0,0]=4 1221 B11R1.74 O=C1C=C(O)C=C(C(=O)O)N1 Amb28386374 [0,1,0,1,0,0|1,0,0]=3 1222 B11R1.74 O=C1C=C(O)C=C(C(=O)O)O1 Amb18644775 [0,1,0,1,0,0|0,0,0]=2 1223 B11R1.74 O=C1C=C(O)N=C(C(=O)O)N1 Amb18043044 [0,1,0,1,0,0|2,0,0]=4 1224 B11R1.167 CC(=O)C1=CC(=O)C=CC1=O Amb25347519 [0,1,0,1,0,0|2,0,0]=4 1225 B11R1.167 CC(=O)c1cc(O)ccc1Br Amb22886920 [0,1,0,1,0,0|2,0,0]=4 1226 B11R1.167 CC(=O)c1cc(O)ccc1C Amb22752390 [0,1,0,1,0,0|2,0,0]=4 1227 B11R1.167 CC(=O)c1cc(O)ccc1Cl Amb18126736 [0,1,0,1,0,0|2,0,0]=4 1228 B11R1.167 CC(=O)c1cc(O)ccc1F Amb8397098 [0,1,0,1,0,0|2,0,0]=4 1229 B11R1.167 CC(=O)c1cc(O)ccc1I Amb25891801 [0,1,0,1,0,0|2,0,0]=4 1230 B11R1.167 CC(=O)c1cc(O)ccc1N Amb21964114 [0,1,0,1,0,0|2,0,0]=4 1231 B11R1.167 CC(=O)c1cc(O)ccc1O Amb1299878 [0,1,0,1,0,0|2,0,0]=4 1232 B11R1.167 CC1=C(C(=O)O)NC(=O)C=C1 Amb18125522 [0,1,0,1,0,0|1,0,0]=3 1233 B11R1.167 CC1=CNC(=O)C=C1C(=O)O Amb18201203 [0,1,0,1,0,0|2,0,0]=4 1234 B11R1.167 Cc1ccc(Br)c(C(=O)O)c1 Amb2685316 [0,1,0,1,0,0|2,0,0]=4 1235 B11R1.167 Cc1ccc(Br)c(C(=O)O)n1 Amb21962442 [0,1,0,1,0,0|2,0,0]=4 1236 B11R1.167 Cc1ccc(Br)c(C(=O)O)n1 Amb31204727 [0,1,0,1,0,0|2,0,0]=4 1237 B11R1.167 Cc1ccc(Br)cc1C(=O)O Amb2610499 [0,1,0,1,0,0|2,0,0]=4 1238 B11R1.167 Cc1ccc(Br)nc1C(=O)O Amb33549279 [0,1,0,1,0,0|2,0,0]=4 1239 B11R1.167 Cc1ccc(C)c(C(=O)O)c1 Amb6335835 [0,1,0,1,0,0|2,0,0]=4 1240 B11R1.167 Cc1ccc(C)c(C(=O)O)n1 Amb18125241 [0,1,0,1,0,0|2,0,0]=4 1241 B11R1.167 Cc1ccc(C)c(C(=O)O)n1 Amb33482660 [0,1,0,1,0,0|2,0,0]=4 1242 B11R1.167 Cc1ccc(Cl)c(C(=O)O)c1 Amb2686193 [0,1,0,1,0,0|2,0,0]=4 1243 B11R1.167 Cc1ccc(Cl)c(C(=O)O)n1 Amb22002135 [0,1,0,1,0,0|2,0,0]=4 1244 B11R1.167 Cc1ccc(Cl)cc1C(=O)O Amb2686197 [0,1,0,1,0,0|2,0,0]=4 1245 B11R1.167 Cc1ccc(Cl)nc1C(=O)O Amb18825385 [0,1,0,1,0,0|2,0,0]=4 1246 B11R1.167 Cc1ccc(F)c(C(=O)O)c1 Amb2684161 [0,1,0,1,0,0|2,0,0]=4 1247 B11R1.167 Cc1ccc(F)c(C(=O)O)n1 Amb19895374 [0,1,0,1,0,0|2,0,0]=4 1248 B11R1.167 Cc1ccc(F)cc1C(=O)O Amb1229971 [0,1,0,1,0,0|2,0,0]=4 1249 B11R1.167 Cc1ccc(I)c(C(=O)O)c1 Amb2688854 [0,1,0,1,0,0|2,0,0]=4 1250 B11R1.167 Cc1ccc(I)c(C(=O)O)n1 Amb28040736 [0,1,0,1,0,0|2,0,0]=4 1251 B11R1.167 Cc1ccc(I)cc1C(=O)O Amb17835261 [0,1,0,1,0,0|2,0,0]=4 1252 B11R1.167 Cc1ccc(N)c(C(=O)O)c1 Amb1353188 [0,1,0,1,0,0|2,0,0]=4 1253 B11R1.167 Cc1ccc(N)c(C(=O)O)n1 Amb23439084 [0,1,0,1,0,0|2,0,0]=4 1254 B11R1.167 Cc1ccc(N)cc1C(=O)O Amb2716204 [0,1,0,1,0,0|2,0,0]=4 1255 B11R1.167 Cc1ccc(N)nc1C(=O)O Amb25994311 [0,1,0,1,0,0|2,0,0]=4 1256 B11R1.167 Cc1ccc(O)c(C(=O)O)c1 Amb3429668 [0,1,0,1,0,0|2,0,0]=4 1257 B11R1.167 Cc1ccc(O)c(C(=O)O)n1 Amb33547036 [0,1,0,1,0,0|2,0,0]=4 1258 B11R1.167 Cc1ccc(O)cc1C(=O)Cl Amb28122910 [0,1,0,1,0,0|2,0,0]=4 1259 B11R1.167 Cc1ccc(O)cc1C(=O)O Amb8384398 [0,1,0,1,0,0|1,0,0]=3 1260 B11R1.167 Cc1ccc(O)cc1C(N)=O Amb25892519 [0,1,0,1,0,0|2,0,0]=4 1261 B11R1.167 Cc1ccc(O)nc1C(=O)O Amb17593822 [0,1,0,1,0,0|1,0,0]=3 1262 B11R1.167 Cc1ccc(S)c(C(=O)O)c1 Amb18280213 [0,1,0,1,0,0|2,0,0]=4 1263 B11R1.167 Cc1ccc(S)cc1C(=O)O Amb25310962 [0,1,0,1,0,0|1,1,0]=4 1264 B11R1.167 Cc1cnc(O)nc1C(=O)O Amb27445806 [0,1,0,1,0,0|2,0,0]=4 1265 B11R1.167 NC(=O)C1=C(Br)C=CC(=O)N1 Amb22755254 [0,1,0,1,0,0|2,0,0]=4 1266 B11R1.167 NC(=O)C1=C(Cl)C=CC(=O)N1 Amb22755266 [0,1,0,1,0,0|2,0,0]=4 1267 B11R1.167 NC(=O)c1cc(O)ccc1Cl Amb27490891 [0,1,0,1,0,0|2,0,0]=4 1268 B11R1.167 NC(=O)c1cc(O)ccc1F Amb24432738 [0,1,0,1,0,0|2,0,0]=4 1269 B11R1.167 NC(=O)c1cc(O)ccc1I Amb27230103 [0,1,0,1,0,0|2,0,0]=4 1270 B11R1.167 NC(=O)c1cc(O)ccc1N Amb18278807 [0,1,0,1,0,0|2,0,0]=4 1271 B11R1.167 Nc1ccc(Br)c(C(=O)O)c1 Amb6298248 [0,1,0,1,0,0|2,0,0]=4 1272 B11R1.167 Nc1ccc(Br)c(C(=O)O)n1 Amb19958986 [0,1,0,1,0,0|2,0,0]=4 1273 B11R1.167 Nc1ccc(Br)cc1C(=O)O Amb6364862 [0,1,0,1,0,0|2,0,0]=4 1274 B11R1.167 Nc1ccc(Br)nc1C(=O)O Amb21964060 [0,1,0,1,0,0|2,0,0]=4 1275 B11R1.167 Nc1ccc(Cl)c(C(=O)O)c1 Amb2684371 [0,1,0,1,0,0|2,0,0]=4 1276 B11R1.167 Nc1ccc(Cl)c(C(=O)O)n1 Amb6701945 [0,1,0,1,0,0|2,0,0]=4 1277 B11R1.167 Nc1ccc(Cl)cc1C(=O)O Amb1353189 [0,1,0,1,0,0|2,0,0]=4 1278 B11R1.167 Nc1ccc(Cl)cc1C(=O)O Amb2695796 [0,1,0,1,0,0|2,0,0]=4 1279 B11R1.167 Nc1ccc(Cl)nc1C(=O)O Amb17739943 [0,1,0,1,0,0|2,0,0]=4 1280 B11R1.167 Nc1ccc(Cl)nc1C(=O)O Amb22405925 [0,1,0,1,0,0|2,0,0]=4 1281 B11R1.167 Nc1ccc(F)c(C(=O)O)c1 Amb2684412 [0,1,0,1,0,0|2,0,0]=4 1282 B11R1.167 Nc1ccc(F)c(C(=O)O)n1 Amb25243335 [0,1,0,1,0,0|2,0,0]=4 1283 B11R1.167 Nc1ccc(F)cc1C(=O)O Amb1104986 [0,1,0,1,0,0|2,0,0]=4 1284 B11R1.167 Nc1ccc(I)cc1C(=O)O Amb1233201 [0,1,0,1,0,0|2,0,0]=4 1285 B11R1.167 Nc1ccc(N)c(C(=O)O)c1 Amb4139702 [0,1,0,1,0,0|2,0,0]=4 1286 B11R1.167 Nc1ccc(N)c(C(=O)O)c1 Amb6874952 [0,1,0,1,0,0|2,0,0]=4 1287 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 Amb1072203 [0,1,0,1,0,0|2,0,0]=4 1288 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 Amb24081346 [0,1,0,1,0,0|2,0,0]=4 1289 B11R1.167 Nc1ccc(O)cc1C(=O)O Amb534955 [0,1,0,1,0,0|1,0,0]=3 1290 B11R1.167 Nc1ccc(S)c(C(=O)O)c1 Amb20620211 [0,1,0,1,0,0|2,0,0]=4 1291 B11R1.167 Nc1ccc(S)cc1C(=O)O Amb27614432 [0,1,0,1,0,0|1,1,0]=4 1292 B11R1.167 Nc1cnc(O)cc1C(=O)O Amb18831042 [0,1,0,1,0,0|2,0,0]=4 1293 B11R1.167 Nc1ncc(O)cc1C(=O)O Amb26399098 [0,1,0,1,0,0|2,0,0]=4 1294 B11R1.167 Nc1ncc(O)cc1C(=O)O Amb28652872 [0,1,0,1,0,0|2,0,0]=4 1295 B11R1.167 O=C(Cl)c1cc(O)ccc1F Amb27402123 [0,1,0,1,0,0|2,0,0]=4 1296 B11R1.167 O=C(Cl)c1cc(O)ccc1O Amb27170728 [0,1,0,1,0,0|2,0,0]=4 1297 B11R1.167 O=C(O)c1cc(Br)ccc1Br Amb3941526 [0,1,0,1,0,0|2,0,0]=4 1298 B11R1.167 O=C(O)c1cc(Br)ccc1Cl Amb264314 [0,1,0,1,0,0|2,0,0]=4 1299 B11R1.167 O=C(O)c1cc(Br)ccc1F Amb1233202 [0,1,0,1,0,0|2,0,0]=4 1300 B11R1.167 O=C(O)c1cc(Br)ccc1I Amb1107594 [0,1,0,1,0,0|2,0,0]=4 1301 B11R1.167 O=C(O)c1cc(Br)ccc1O Amb1934189 [0,1,0,1,0,0|2,0,0]=4 1302 B11R1.167 O=C(O)c1cc(Br)ccc1S Amb18134858 [0,1,0,1,0,0|2,0,0]=4 1303 B11R1.167 O=C(O)c1cc(Cl)ccc1Br Amb845609 [0,1,0,1,0,0|2,0,0]=4 1304 B11R1.167 O=C(O)c1cc(Cl)ccc1Cl Amb2099522 [0,1,0,1,0,0|2,0,0]=4 1305 B11R1.167 O=C(O)c1cc(Cl)ccc1F Amb1229906 [0,1,0,1,0,0|2,0,0]=4 1306 B11R1.167 O=C(O)c1cc(Cl)ccc1I Amb1133362 [0,1,0,1,0,0|2,0,0]=4 1307 B11R1.167 O=C(O)c1cc(Cl)ccc1O Amb3941495 [0,1,0,1,0,0|2,0,0]=4 1308 B11R1.167 O=C(O)c1cc(Cl)ccc1S Amb18279260 [0,1,0,1,0,0|2,0,0]=4 1309 B11R1.167 O=C(O)c1cc(F)ccc1Br Amb1228485 [0,1,0,1,0,0|2,0,0]=4 1310 B11R1.167 O=C(O)c1cc(F)ccc1Cl Amb2685949 [0,1,0,1,0,0|2,0,0]=4 1311 B11R1.167 O=C(O)c1cc(F)ccc1F Amb1214894 [0,1,0,1,0,0|2,0,0]=4 1312 B11R1.167 O=C(O)c1cc(F)ccc1I Amb5721972 [0,1,0,1,0,0|2,0,0]=4 1313 B11R1.167 O=C(O)c1cc(F)ccc1O Amb2688416 [0,1,0,1,0,0|2,0,0]=4 1314 B11R1.167 O=C(O)c1cc(F)ccc1S Amb10838443 [0,1,0,1,0,0|2,0,0]=4 1315 B11R1.167 O=C(O)c1cc(I)ccc1Br Amb1785330 [0,1,0,1,0,0|2,0,0]=4 1316 B11R1.167 O=C(O)c1cc(I)ccc1Cl Amb2686131 [0,1,0,1,0,0|2,0,0]=4 1317 B11R1.167 O=C(O)c1cc(I)ccc1F Amb2688124 [0,1,0,1,0,0|2,0,0]=4 1318 B11R1.167 O=C(O)c1cc(I)ccc1I Amb6848402 [0,1,0,1,0,0|2,0,0]=4 1319 B11R1.167 O=C(O)c1cc(I)ccc1O Amb3940317 [0,1,0,1,0,0|2,0,0]=4 1320 B11R1.167 O=C(O)c1cc(I)ccc1S Amb27166774 [0,1,0,1,0,0|2,0,0]=4 1321 B11R1.167 O=C(O)c1cc(O)ccc1Br Amb6297119 [0,1,0,1,0,0|1,0,0]=3 1322 B11R1.167 O=C(O)c1cc(O)ccc1Cl Amb6297059 [0,1,0,1,0,0|1,0,0]=3 1323 B11R1.167 O=C(O)c1cc(O)ccc1F Amb2684159 [0,1,0,1,0,0|1,0,0]=3 1324 B11R1.167 O=C(O)c1cc(O)ccc1I Amb17938038 [0,1,0,1,0,0|1,0,0]=3 1325 B11R1.167 O=C(O)c1cc(O)ccc1O Amb33779430 [0,1,0,1,0,0|1,0,0]=3 1326 B11R1.167 O=C(O)c1cc(O)ccc1O Amb6491145 [0,1,0,1,0,0|1,0,0]=3 1327 B11R1.167 O=C(O)c1cc(O)ccc1S Amb27390277 [0,1,0,1,0,0|1,0,0]=3 1328 B11R1.167 O=C(O)c1cc(O)cnc1Cl Amb18127133 [0,1,0,1,0,0|2,0,0]=4 1329 B11R1.167 O=C(O)c1cc(O)cnc1O Amb8009492 [0,1,0,1,0,0|2,0,0]=4 1330 B11R1.167 O=C(O)c1cc(O)ncc1Br Amb10070313 [0,1,0,1,0,0|2,0,0]=4 1331 B11R1.167 O=C(O)c1cc(O)ncc1Cl Amb25144003 [0,1,0,1,0,0|2,0,0]=4 1332 B11R1.167 O=C(O)c1cc(S)ccc1Br Amb27248662 [0,1,0,1,0,0|1,1,0]=4 1333 B11R1.167 O=C(O)c1cc(S)ccc1Cl Amb20623491 [0,1,0,1,0,0|1,1,0]=4 1334 B11R1.167 O=C(O)c1cc(S)ccc1F Amb25152849 [0,1,0,1,0,0|1,1,0]=4 1335 B11R1.167 O=C(O)c1cc(S)ccc1I Amb26931773 [0,1,0,1,0,0|1,1,0]=4 1336 B11R1.167 O=C(O)c1cc(S)ccc1O Amb26481378 [0,1,0,1,0,0|1,1,0]=4 1337 B11R1.167 O=C(O)c1cc(S)ccc1S Amb25288094 [0,1,0,1,0,0|1,1,0]=4 1338 B11R1.167 O=C(O)c1nc(Br)ccc1Br Amb19959856 [0,1,0,1,0,0|2,0,0]=4 1339 B11R1.167 O=C(O)c1nc(Br)ccc1Cl Amb21856413 [0,1,0,1,0,0|2,0,0]=4 1340 B11R1.167 O=C(O)c1nc(Br)ccc1F Amb21963438 [0,1,0,1,0,0|2,0,0]=4 1341 B11R1.167 O=C(O)c1nc(Br)ccc1O Amb19958147 [0,1,0,1,0,0|2,0,0]=4 1342 B11R1.167 O=C(O)c1nc(Cl)ccc1Br Amb10070774 [0,1,0,1,0,0|2,0,0]=4 1343 B11R1.167 O=C(O)c1nc(Cl)ccc1Cl Amb1153040 [0,1,0,1,0,0|2,0,0]=4 1344 B11R1.167 O=C(O)c1nc(Cl)ccc1F Amb16231986 [0,1,0,1,0,0|2,0,0]=4 1345 B11R1.167 O=C(O)c1nc(Cl)ccc1O Amb25760648 [0,1,0,1,0,0|2,0,0]=4 1346 B11R1.167 O=C(O)c1nc(F)ccc1Br Amb21964207 [0,1,0,1,0,0|2,0,0]=4 1347 B11R1.167 O=C(O)c1nc(F)ccc1Cl Amb24648694 [0,1,0,1,0,0|2,0,0]=4 1348 B11R1.167 O=C(O)c1nc(F)ccc1F Amb8390117 [0,1,0,1,0,0|2,0,0]=4 1349 B11R1.167 O=C(O)c1nc(F)ccc1I Amb25258545 [0,1,0,1,0,0|2,0,0]=4 1350 B11R1.167 O=C(O)c1nc(F)ccc1O Amb25151163 [0,1,0,1,0,0|2,0,0]=4 1351 B11R1.167 O=C(O)c1nc(I)ccc1F Amb26894643 [0,1,0,1,0,0|2,0,0]=4 1352 B11R1.167 O=C(O)c1nc(O)ccc1Br Amb21857412 [0,1,0,1,0,0|1,0,0]=3 1353 B11R1.167 O=C(O)c1nc(O)ccc1Cl Amb660214 [0,1,0,1,0,0|1,0,0]=3 1354 B11R1.167 O=C(O)c1nc(O)cnc1Cl Amb27169179 [0,1,0,1,0,0|2,0,0]=4 1355 B11R1.167 O=C(O)c1nc(O)ncc1O Amb27965726 [0,1,0,1,0,0|2,0,0]=4 1356 B11R1.167 O=C([O-])c1cc(O)ccc1O Amb9825417 [0,1,0,1,0,0|1,0,1]=4 1357 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 Amb18769458 [0,1,0,1,0,0|2,0,0]=4 1358 B11R1.167 O=C1C=C(C(=O)O)C(O)=CN1 Amb20242309 [0,1,0,1,0,0|2,0,0]=4 1359 B11R1.167 O=C1C=CC(F)=C(C(=O)O)N1 Amb22015213 [0,1,0,1,0,0|1,0,0]=3 1360 B11R1.167 O=C1C=CN(O)C(C(=O)O)=C1 Amb27861943 [0,1,0,1,0,0|2,0,0]=4 1361 B11R1.167 O=C1N=C(C(=O)O)C(Br)=CN1 Amb22500874 [0,1,0,1,0,0|2,0,0]=4 1362 B11R1.167 O=C1N=C(C(=O)O)C(Cl)=CN1 Amb18127341 [0,1,0,1,0,0|2,0,0]=4 1363 B11R1.645 CC1=C(CC(=O)O)OC(=O)N1 Amb18830674 [0,1,0,1,0,0|1,0,1]=4 1364 B11R1.645 CC1=CC(=O)N\C1=C/C(N)=O Amb27984704 [0,1,0,1,0,0|2,0,0]=4 1365 B11R1.645 CC1=CC(=O)OC1CC(=O)O Amb18125925 [0,1,0,1,0,0|0,0,2]=4 1366 B11R1.645 Cc1cc(C)c(CC(=O)O)o1 Amb18831041 [0,1,0,1,0,0|1,0,1]=4 1367 B11R1.645 NC1=CC(=O)S\C1=C/C(=O)O Amb27862591 [0,1,0,1,0,0|0,1,0]=3 1368 B11R1.645 O=C(O)CC1OC(=O)C=C1Br Amb17596018 [0,1,0,1,0,0|0,0,2]=4 1369 B11R1.645 O=C(O)CC1OC(=O)C=C1O Amb27657626 [0,1,0,1,0,0|0,0,2]=4 1370 B11R1.645 O=C(O)\C=C1/NC(=O)NC1=O Amb2537145 [0,1,0,1,0,0|2,0,0]=4 1371 B11R1.645 O=C(O)\C=C1/OC(=O)C=C1Cl Amb27232894 [0,1,0,1,0,0|0,0,0]=2 1372 B11R1.645 O=C(O)\C=C1/SC(=O)NC1=O Amb19516675 [0,1,0,1,0,0|1,1,0]=4 1373 B11R1.645 O=C(O)\C=C1\CC(=O)OC1=O Amb27657636 [0,1,0,1,0,0|2,0,0]=4 1374 B11R1.645 O=C(O)\C=C1\NC(=O)NC1=O Amb17593889 [0,1,0,1,0,0|2,0,0]=4 1375 B11R1.645 O=C(O)\C=C1\SC(=O)N=C1O Amb5636508 [0,1,0,1,0,0|1,1,0]=4 1376 B11R1.645 O=C(O)\C=C1\SC(=O)NC1=O Amb33714833 [0,1,0,1,0,0|1,1,0]=4 1377 B11R1.1039 O=C(O)CC1(O)C=CC(=O)O1 Amb28118906 [0,1,0,1,0,0|0,0,2]=4 1378 B11R1.21 C=C1C=CC(C(=O)O)=CC1=C Amb25982898 [0,1,0,1,0,0|2,0,0]=4 1379 B11R1.21 CC(=O)C1=CC=C(C)C(=O)O1 Amb24722786 [0,1,0,1,0,0|1,0,0]=3 1380 B11R1.21 CC(=O)c1ccc(Br)c(O)c1 Amb20407392 [0,1,0,1,0,0|2,0,0]=4 1381 B11R1.21 CC(=O)c1ccc(C)c(O)c1 Amb17334297 [0,1,0,1,0,0|2,0,0]=4 1382 B11R1.21 CC(=O)c1ccc(Cl)c(O)c1 Amb18126734 [0,1,0,1,0,0|2,0,0]=4 1383 B11R1.21 CC(=O)c1ccc(Cl)c(O)n1 Amb27764086 [0,1,0,1,0,0|2,0,0]=4 1384 B11R1.21 CC(=O)c1ccc(F)c(O)c1 Amb19944608 [0,1,0,1,0,0|2,0,0]=4 1385 B11R1.21 CC(=O)c1ccc(I)c(O)c1 Amb23437508 [0,1,0,1,0,0|2,0,0]=4 1386 B11R1.21 CC(=O)c1ccc(N)c(O)c1 Amb8630247 [0,1,0,1,0,0|2,0,0]=4 1387 B11R1.21 CC(=O)c1ccc(O)c(O)c1 Amb1240533 [0,1,0,1,0,0|2,0,0]=4 1388 B11R1.21 CC1=CC=C(C(=O)O)NC1=O Amb18125523 [0,1,0,1,0,0|1,0,0]=3 1389 B11R1.21 CC1=CC=C(C(=O)O)OC1=O Amb18644609 [0,1,0,1,0,0|0,0,0]=2 1390 B11R1.21 CN1C=CC(C(=O)O)=CC1=O Amb18949290 [0,1,0,1,0,0|2,0,0]=4 1391 B11R1.21 Cc1cc(C(=O)O)ccc1Br Amb2685318 [0,1,0,1,0,0|2,0,0]=4 1392 B11R1.21 Cc1cc(C(=O)O)ccc1Cl Amb2686196 [0,1,0,1,0,0|2,0,0]=4 1393 B11R1.21 Cc1cc(C(=O)O)ccc1F Amb2688190 [0,1,0,1,0,0|2,0,0]=4 1394 B11R1.21 Cc1cc(C(=O)O)ccc1I Amb1060318 [0,1,0,1,0,0|2,0,0]=4 1395 B11R1.21 Cc1cc(C(=O)O)ccc1N Amb2371743 [0,1,0,1,0,0|2,0,0]=4 1396 B11R1.21 Cc1cc(C(=O)O)ccc1O Amb2688764 [0,1,0,1,0,0|2,0,0]=4 1397 B11R1.21 Cc1cc(C(=O)O)ccc1S Amb18948117 [0,1,0,1,0,0|2,0,0]=4 1398 B11R1.21 Cc1ccc(C(=O)Cl)cc1O Amb6743372 [0,1,0,1,0,0|2,0,0]=4 1399 B11R1.21 Cc1ccc(C(=O)O)cc1Br Amb6349350 [0,1,0,1,0,0|2,0,0]=4 1400 B11R1.21 Cc1ccc(C(=O)O)cc1C Amb2558202 [0,1,0,1,0,0|2,0,0]=4 1401 B11R1.21 Cc1ccc(C(=O)O)cc1Cl Amb2686198 [0,1,0,1,0,0|2,0,0]=4 1402 B11R1.21 Cc1ccc(C(=O)O)cc1F Amb1229910 [0,1,0,1,0,0|2,0,0]=4 1403 B11R1.21 Cc1ccc(C(=O)O)cc1I Amb1125694 [0,1,0,1,0,0|2,0,0]=4 1404 B11R1.21 Cc1ccc(C(=O)O)cc1N Amb2781997 [0,1,0,1,0,0|2,0,0]=4 1405 B11R1.21 Cc1ccc(C(=O)O)cc1O Amb1229982 [0,1,0,1,0,0|1,0,0]=3 1406 B11R1.21 Cc1ccc(C(=O)O)cc1S Amb24054265 [0,1,0,1,0,0|1,1,0]=4 1407 B11R1.21 Cc1ccc(C(=O)O)nc1Br Amb20248966 [0,1,0,1,0,0|2,0,0]=4 1408 B11R1.21 Cc1ccc(C(=O)O)nc1C Amb18125242 [0,1,0,1,0,0|2,0,0]=4 1409 B11R1.21 Cc1ccc(C(=O)O)nc1Cl Amb19958043 [0,1,0,1,0,0|2,0,0]=4 1410 B11R1.21 Cc1ccc(C(=O)O)nc1F Amb22235354 [0,1,0,1,0,0|2,0,0]=4 1411 B11R1.21 Cc1ccc(C(=O)O)nc1N Amb25802260 [0,1,0,1,0,0|2,0,0]=4 1412 B11R1.21 Cc1ccc(C(N)=O)cc1O Amb6671841 [0,1,0,1,0,0|2,0,0]=4 1413 B11R1.21 Cc1cnc(C(=O)O)cc1O Amb20667840 [0,1,0,1,0,0|2,0,0]=4 1414 B11R1.21 Cc1nc(C(=O)O)ccc1Br Amb33549131 [0,1,0,1,0,0|2,0,0]=4 1415 B11R1.21 Cc1nc(C(=O)O)ccc1F Amb21864546 [0,1,0,1,0,0|2,0,0]=4 1416 B11R1.21 Cc1nc(C(=O)O)ccc1I Amb28186464 [0,1,0,1,0,0|2,0,0]=4 1417 B11R1.21 Cc1nc(C(=O)O)ccc1O Amb26507572 [0,1,0,1,0,0|2,0,0]=4 1418 B11R1.21 Cc1ncc(C(=O)O)cc1O Amb13881250 [0,1,0,1,0,0|2,0,0]=4 1419 B11R1.21 Cn1ccc(C(=O)O)cc1=O Amb2612439 [0,1,0,1,0,0|2,0,0]=4 1420 B11R1.21 NC(=O)C1=CC=C(Br)C(=O)N1 Amb22755231 [0,1,0,1,0,0|2,0,0]=4 1421 B11R1.21 NC(=O)C1=CC=C(O)C(=O)N1 Amb27597580 [0,1,0,1,0,0|2,0,0]=4 1422 B11R1.21 NC(=O)c1ccc(Br)c(O)c1 Amb20248961 [0,1,0,1,0,0|2,0,0]=4 1423 B11R1.21 NC(=O)c1ccc(Cl)c(O)c1 Amb22501137 [0,1,0,1,0,0|2,0,0]=4 1424 B11R1.21 NC(=O)c1ccc(F)c(O)c1 Amb23437519 [0,1,0,1,0,0|2,0,0]=4 1425 B11R1.21 NC(=O)c1ccc(I)c(O)c1 Amb10604518 [0,1,0,1,0,0|2,0,0]=4 1426 B11R1.21 NC(=O)c1ccc(N)c(O)c1 Amb23437514 [0,1,0,1,0,0|2,0,0]=4 1427 B11R1.21 NC(=O)c1ccc(O)c(O)c1 Amb5492730 [0,1,0,1,0,0|2,0,0]=4 1428 B11R1.21 Nc1cc(C(=O)O)ccc1Br Amb6876192 [0,1,0,1,0,0|2,0,0]=4 1429 B11R1.21 Nc1cc(C(=O)O)ccc1Cl Amb2720216 [0,1,0,1,0,0|2,0,0]=4 1430 B11R1.21 Nc1cc(C(=O)O)ccc1F Amb10838541 [0,1,0,1,0,0|2,0,0]=4 1431 B11R1.21 Nc1cc(C(=O)O)ccc1F Amb1980792 [0,1,0,1,0,0|2,0,0]=4 1432 B11R1.21 Nc1cc(C(=O)O)ccc1I Amb20620266 [0,1,0,1,0,0|2,0,0]=4 1433 B11R1.21 Nc1cc(C(=O)O)ccc1O Amb6335559 [0,1,0,1,0,0|2,0,0]=4 1434 B11R1.21 Nc1cc(C(=O)O)ccc1O Amb8396074 [0,1,0,1,0,0|2,0,0]=4 1435 B11R1.21 Nc1cc(C(=O)O)ccc1S Amb18647177 [0,1,0,1,0,0|2,0,0]=4 1436 B11R1.21 Nc1ccc(C(=O)O)cc1Br Amb2610450 [0,1,0,1,0,0|2,0,0]=4 1437 B11R1.21 Nc1ccc(C(=O)O)cc1Cl Amb2684370 [0,1,0,1,0,0|2,0,0]=4 1438 B11R1.21 Nc1ccc(C(=O)O)cc1F Amb3427807 [0,1,0,1,0,0|2,0,0]=4 1439 B11R1.21 Nc1ccc(C(=O)O)cc1I Amb10070341 [0,1,0,1,0,0|2,0,0]=4 1440 B11R1.21 Nc1ccc(C(=O)O)cc1N Amb28991357 [0,1,0,1,0,0|2,0,0]=4 1441 B11R1.21 Nc1ccc(C(=O)O)cc1N Amb534799 [0,1,0,1,0,0|2,0,0]=4 1442 B11R1.21 Nc1ccc(C(=O)O)cc1O Amb3940565 [0,1,0,1,0,0|1,0,0]=3 1443 B11R1.21 Nc1ccc(C(=O)O)cc1S Amb20668181 [0,1,0,1,0,0|1,1,0]=4 1444 B11R1.21 Nc1ccc(C(=O)O)cc1S Amb535967 [0,1,0,1,0,0|1,1,0]=4 1445 B11R1.21 Nc1ccc(C(=O)O)nc1Br Amb24462272 [0,1,0,1,0,0|2,0,0]=4 1446 B11R1.21 Nc1ccc(C(=O)O)nc1Cl Amb26633001 [0,1,0,1,0,0|2,0,0]=4 1447 B11R1.21 Nc1ccc(C(=O)O)nc1F Amb28435295 [0,1,0,1,0,0|2,0,0]=4 1448 B11R1.21 Nc1ccc(C(=O)O)nc1N Amb17097725 [0,1,0,1,0,0|2,0,0]=4 1449 B11R1.21 Nc1nc(C(=O)O)ccc1Br Amb22498158 [0,1,0,1,0,0|2,0,0]=4 1450 B11R1.21 Nc1nc(C(=O)O)ccc1Cl Amb23589339 [0,1,0,1,0,0|2,0,0]=4 1451 B11R1.21 Nc1nc(C(=O)O)ccc1F Amb26386524 [0,1,0,1,0,0|2,0,0]=4 1452 B11R1.21 Nc1nc(C(=O)O)ccc1O Amb22235554 [0,1,0,1,0,0|2,0,0]=4 1453 B11R1.21 Nc1nc(C(=O)O)ccc1O Amb33172753 [0,1,0,1,0,0|2,0,0]=4 1454 B11R1.21 Nc1ncc(C(=O)O)cc1O Amb19879002 [0,1,0,1,0,0|2,0,0]=4 1455 B11R1.21 Nc1ncc(C(=O)O)cc1O Amb33483903 [0,1,0,1,0,0|2,0,0]=4 1456 B11R1.21 O=C(Cl)c1ccc(Cl)c(O)c1 Amb22736494 [0,1,0,1,0,0|2,0,0]=4 1457 B11R1.21 O=C(Cl)c1ccc(F)c(O)c1 Amb27668825 [0,1,0,1,0,0|2,0,0]=4 1458 B11R1.21 O=C(I)c1ccc(O)c(O)c1 Amb27398217 [0,1,0,1,0,0|2,0,0]=4 1459 B11R1.21 O=C(O)C1=CC(=O)C(Br)=CN1 Amb24483950 [0,1,0,1,0,0|2,0,0]=4 1460 B11R1.21 O=C(O)C1=CC(=O)C(Br)=CO1 Amb18658338 [0,1,0,1,0,0|2,0,0]=4 1461 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 Amb21962527 [0,1,0,1,0,0|2,0,0]=4 1462 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 Amb18125912 [0,1,0,1,0,0|2,0,0]=4 1463 B11R1.21 O=C(O)C1=CC(=O)N(O)C=C1 Amb26455639 [0,1,0,1,0,0|2,0,0]=4 1464 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 Amb21857410 [0,1,0,1,0,0|1,0,0]=3 1465 B11R1.21 O=C(O)C1=CC=C(F)C(=O)N1 Amb22899461 [0,1,0,1,0,0|1,0,0]=3 1466 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 Amb24179163 [0,1,0,1,0,0|1,0,0]=3 1467 B11R1.21 O=C(O)C1=CC=C(O)C(=O)O1 Amb27401871 [0,1,0,1,0,0|0,0,0]=2 1468 B11R1.21 O=C(O)C1=CN(O)C(=O)C=C1 Amb33547583 [0,1,0,1,0,0|2,0,0]=4 1469 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 Amb22498961 [0,1,0,1,0,0|2,0,0]=4 1470 B11R1.21 O=C(O)c1cc(O)c(Cl)cn1 Amb25891410 [0,1,0,1,0,0|2,0,0]=4 1471 B11R1.21 O=C(O)c1cc(O)c(F)cn1 Amb24594934 [0,1,0,1,0,0|2,0,0]=4 1472 B11R1.21 O=C(O)c1cc(O)c(O)cn1 Amb30526971 [0,1,0,1,0,0|2,0,0]=4 1473 B11R1.21 O=C(O)c1ccc(Br)c(Br)c1 Amb4009385 [0,1,0,1,0,0|2,0,0]=4 1474 B11R1.21 O=C(O)c1ccc(Br)c(Cl)c1 Amb10071603 [0,1,0,1,0,0|2,0,0]=4 1475 B11R1.21 O=C(O)c1ccc(Br)c(Cl)n1 Amb21856995 [0,1,0,1,0,0|2,0,0]=4 1476 B11R1.21 O=C(O)c1ccc(Br)c(F)c1 Amb2685191 [0,1,0,1,0,0|2,0,0]=4 1477 B11R1.21 O=C(O)c1ccc(Br)c(F)n1 Amb25958444 [0,1,0,1,0,0|2,0,0]=4 1478 B11R1.21 O=C(O)c1ccc(Br)c(I)c1 Amb21963501 [0,1,0,1,0,0|2,0,0]=4 1479 B11R1.21 O=C(O)c1ccc(Br)c(I)n1 Amb22751236 [0,1,0,1,0,0|2,0,0]=4 1480 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 Amb10072072 [0,1,0,1,0,0|1,0,0]=3 1481 B11R1.21 O=C(O)c1ccc(Br)c(O)n1 Amb20075768 [0,1,0,1,0,0|1,0,0]=3 1482 B11R1.21 O=C(O)c1ccc(Br)c(S)c1 Amb23557914 [0,1,0,1,0,0|1,1,0]=4 1483 B11R1.21 O=C(O)c1ccc(Cl)c(Br)c1 Amb845611 [0,1,0,1,0,0|2,0,0]=4 1484 B11R1.21 O=C(O)c1ccc(Cl)c(Br)n1 Amb21961456 [0,1,0,1,0,0|2,0,0]=4 1485 B11R1.21 O=C(O)c1ccc(Cl)c(Cl)c1 Amb3940030 [0,1,0,1,0,0|2,0,0]=4 1486 B11R1.21 O=C(O)c1ccc(Cl)c(Cl)n1 Amb18129913 [0,1,0,1,0,0|2,0,0]=4 1487 B11R1.21 O=C(O)c1ccc(Cl)c(F)c1 Amb2685952 [0,1,0,1,0,0|2,0,0]=4 1488 B11R1.21 O=C(O)c1ccc(Cl)c(F)n1 Amb8390111 [0,1,0,1,0,0|2,0,0]=4 1489 B11R1.21 O=C(O)c1ccc(Cl)c(I)c1 Amb1135958 [0,1,0,1,0,0|2,0,0]=4 1490 B11R1.21 O=C(O)c1ccc(Cl)c(O)c1 Amb33544451 [0,1,0,1,0,0|1,0,0]=3 1491 B11R1.21 O=C(O)c1ccc(Cl)c(S)c1 Amb18650042 [0,1,0,1,0,0|1,1,0]=4 1492 B11R1.21 O=C(O)c1ccc(F)c(Br)c1 Amb535157 [0,1,0,1,0,0|2,0,0]=4 1493 B11R1.21 O=C(O)c1ccc(F)c(Br)n1 Amb21856154 [0,1,0,1,0,0|2,0,0]=4 1494 B11R1.21 O=C(O)c1ccc(F)c(Cl)c1 Amb535152 [0,1,0,1,0,0|2,0,0]=4 1495 B11R1.21 O=C(O)c1ccc(F)c(Cl)n1 Amb20670131 [0,1,0,1,0,0|2,0,0]=4 1496 B11R1.21 O=C(O)c1ccc(F)c(F)c1 Amb1218139 [0,1,0,1,0,0|2,0,0]=4 1497 B11R1.21 O=C(O)c1ccc(F)c(F)n1 Amb8390116 [0,1,0,1,0,0|2,0,0]=4 1498 B11R1.21 O=C(O)c1ccc(F)c(I)c1 Amb10841793 [0,1,0,1,0,0|2,0,0]=4 1499 B11R1.21 O=C(O)c1ccc(F)c(O)c1 Amb535709 [0,1,0,1,0,0|1,0,0]=3 1500 B11R1.21 O=C(O)c1ccc(F)c(S)c1 Amb19374986 [0,1,0,1,0,0|1,1,0]=4 1501 B11R1.21 O=C(O)c1ccc(I)c(Br)c1 Amb5722021 [0,1,0,1,0,0|2,0,0]=4 1502 B11R1.21 O=C(O)c1ccc(I)c(Cl)c1 Amb19888183 [0,1,0,1,0,0|2,0,0]=4 1503 B11R1.21 O=C(O)c1ccc(I)c(F)c1 Amb8628766 [0,1,0,1,0,0|2,0,0]=4 1504 B11R1.21 O=C(O)c1ccc(I)c(F)n1 Amb27848254 [0,1,0,1,0,0|2,0,0]=4 1505 B11R1.21 O=C(O)c1ccc(I)c(I)c1 Amb15690596 [0,1,0,1,0,0|2,0,0]=4 1506 B11R1.21 O=C(O)c1ccc(I)c(O)c1 Amb2616716 [0,1,0,1,0,0|1,0,0]=3 1507 B11R1.21 O=C(O)c1ccc(I)c(S)c1 Amb27775191 [0,1,0,1,0,0|1,1,0]=4 1508 B11R1.21 O=C(O)c1ccc(O)c(Br)c1 Amb24061924 [0,1,0,1,0,0|2,0,0]=4 1509 B11R1.21 O=C(O)c1ccc(O)c(Br)c1 Amb34242 [0,1,0,1,0,0|2,0,0]=4 1510 B11R1.21 O=C(O)c1ccc(O)c(Br)n1 Amb8439768 [0,1,0,1,0,0|2,0,0]=4 1511 B11R1.21 O=C(O)c1ccc(O)c(Cl)c1 Amb2721201 [0,1,0,1,0,0|2,0,0]=4 1512 B11R1.21 O=C(O)c1ccc(O)c(Cl)n1 Amb18127134 [0,1,0,1,0,0|2,0,0]=4 1513 B11R1.21 O=C(O)c1ccc(O)c(F)c1 Amb1810752 [0,1,0,1,0,0|2,0,0]=4 1514 B11R1.21 O=C(O)c1ccc(O)c(I)c1 Amb6296256 [0,1,0,1,0,0|2,0,0]=4 1515 B11R1.21 O=C(O)c1ccc(O)c(I)n1 Amb26850461 [0,1,0,1,0,0|2,0,0]=4 1516 B11R1.21 O=C(O)c1ccc(O)c(O)c1 Amb1960218 [0,1,0,1,0,0|1,0,0]=3 1517 B11R1.21 O=C(O)c1ccc(O)c(S)c1 Amb18647318 [0,1,0,1,0,0|1,1,0]=4 1518 B11R1.21 O=C(O)c1ccc(S)c(Br)c1 Amb28323215 [0,1,0,1,0,0|2,0,0]=4 1519 B11R1.21 O=C(O)c1ccc(S)c(Cl)c1 Amb13952299 [0,1,0,1,0,0|2,0,0]=4 1520 B11R1.21 O=C(O)c1ccc(S)c(F)c1 Amb18280497 [0,1,0,1,0,0|2,0,0]=4 1521 B11R1.21 O=C(O)c1ccc(S)c(I)c1 Amb27398203 [0,1,0,1,0,0|2,0,0]=4 1522 B11R1.21 O=C(O)c1ccc(S)c(O)c1 Amb24686672 [0,1,0,1,0,0|1,0,0]=3 1523 B11R1.21 O=C(O)c1cnc(Br)c(O)c1 Amb13881195 [0,1,0,1,0,0|2,0,0]=4 1524 B11R1.21 O=C(O)c1cnc(Cl)c(O)c1 Amb18197853 [0,1,0,1,0,0|2,0,0]=4 1525 B11R1.21 O=C(O)c1cnc(I)c(O)c1 Amb10880793 [0,1,0,1,0,0|2,0,0]=4 1526 B11R1.21 O=C(O)c1cnc(O)c(O)n1 Amb18125913 [0,1,0,1,0,0|2,0,0]=4 1527 B11R1.21 O=C([O-])c1ccc(F)c(O)c1 Amb33512989 [0,1,0,1,0,0|1,0,1]=4 1528 B11R1.21 O=C([O-])c1ccc(O)c(O)c1 Amb15690937 [0,1,0,1,0,0|1,0,1]=4 1529 B11R1.80 CC(=O)\C=C1\C=C(C)C(=O)O1 Amb27599087 [0,1,0,1,0,0|1,0,0]=3 1530 B11R1.80 CC1=C\C(=C/C(=O)O)CC1=O Amb28342299 [0,1,0,1,0,0|1,0,0]=3 1531 B11R1.80 CC1=C\C(=C\C(=O)O)OC1=O Amb28429388 [0,1,0,1,0,0|0,0,0]=2 1532 B11R1.80 Cc1oc(CC(=O)O)cc1N Amb18830914 [0,1,0,1,0,0|1,0,1]=4 1533 B11R1.80 O=C(O)CC1C=C(Cl)C(=O)O1 Amb27233573 [0,1,0,1,0,0|0,0,2]=4 1534 B11R1.80 O=C(O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,1,0,1,0,0|0,0,2]=4 1535 B11R1.80 O=C(O)Cc1cc(Br)c(Br)o1 Amb33435776 [0,1,0,1,0,0|1,0,1]=4 1536 B11R1.175 CC(=O)c1cc(C(=O)O)co1 Amb25088340 [0,1,0,1,0,0|2,0,0]=4 1537 B11R1.175 CC(=O)c1cc(C(=O)O)cs1 Amb5400492 [0,1,0,1,0,0|2,0,0]=4 1538 B11R1.175 CC(=O)c1ccc(C(=O)Cl)o1 Amb24667927 [0,1,0,1,0,0|2,0,0]=4 1539 B11R1.175 CC(=O)c1ccc(C(=O)O)o1 Amb18125633 [0,1,0,1,0,0|1,0,0]=3 1540 B11R1.175 CC(=O)c1ccc(C(=O)O)s1 Amb6357816 [0,1,0,1,0,0|1,0,0]=3 1541 B11R1.175 CC(=O)c1ccc(C(=O)[O-])s1 Amb33513077 [0,1,0,1,0,0|1,0,1]=4 1542 B11R1.175 CC(=O)c1ccc(C(C)=O)o1 Amb4010045 [0,1,0,1,0,0|2,0,0]=4 1543 B11R1.175 CC(=O)c1ccc(C(C)=O)s1 Amb4420459 [0,1,0,1,0,0|2,0,0]=4 1544 B11R1.175 CC(=O)c1ccc(C(N)=O)o1 Amb22263313 [0,1,0,1,0,0|2,0,0]=4 1545 B11R1.175 CC(=O)c1csc(C(=O)O)c1 Amb18126670 [0,1,0,1,0,0|2,0,0]=4 1546 B11R1.175 CC(=O)c1nc(C(=O)O)cs1 Amb18198671 [0,1,0,1,0,0|2,0,0]=4 1547 B11R1.175 CC(=O)c1ncc(C(=O)O)s1 Amb22002008 [0,1,0,1,0,0|2,0,0]=4 1548 B11R1.175 CC(=O)n1ccc(C(=O)O)n1 Amb2710401 [0,1,0,1,0,0|2,0,0]=4 1549 B11R1.175 CC(O)c1ccc(C(=O)O)o1 Amb25875475 [0,1,0,1,0,0|1,0,1]=4 1550 B11R1.175 NC(=O)c1cc(C(=O)O)co1 Amb27841831 [0,1,0,1,0,0|2,0,0]=4 1551 B11R1.175 NC(=O)c1ccc(C(=O)Cl)o1 Amb27823141 [0,1,0,1,0,0|2,0,0]=4 1552 B11R1.175 NC(=O)c1ccc(C(=O)O)o1 Amb18644705 [0,1,0,1,0,0|1,0,0]=3 1553 B11R1.175 NC(=O)c1ccc(C(=O)O)s1 Amb33532869 [0,1,0,1,0,0|1,0,0]=3 1554 B11R1.175 NC(=O)c1cnc(C(=O)O)s1 Amb27477151 [0,1,0,1,0,0|2,0,0]=4 1555 B11R1.175 NC(=O)c1coc(C(=O)O)c1 Amb19374408 [0,1,0,1,0,0|2,0,0]=4 1556 B11R1.175 NC(=O)c1csc(C(=O)O)c1 Amb10610105 [0,1,0,1,0,0|2,0,0]=4 1557 B11R1.175 NC(=O)c1nc(C(=O)O)cs1 Amb27474240 [0,1,0,1,0,0|2,0,0]=4 1558 B11R1.175 NC(=S)c1ccc(C(=O)O)o1 Amb28205362 [0,1,0,1,0,0|1,1,0]=4 1559 B11R1.175 O=C(Cl)c1ccc(C(=O)Cl)s1 Amb1106545 [0,1,0,1,0,0|2,0,0]=4 1560 B11R1.175 O=C(O)C1=CC=C(C(=O)O)C1 Amb27858856 [0,1,0,1,0,0|0,0,0]=2 1561 B11R1.175 O=C(O)C1=CCC(C(=O)O)=C1 Amb27173642 [0,1,0,1,0,0|0,0,1]=3 1562 B11R1.175 O=C(O)C1C=CC(C(=O)O)C1 Amb27192014 [0,1,0,1,0,0|0,0,2]=4 1563 B11R1.175 O=C(O)[C@@H]1C=C[C@H](C(=O)O)C1 Amb27491019 [0,1,0,1,0,0|0,0,2]=4 1564 B11R1.175 O=C(O)[C@H]1C=C[C@H](C(=O)O)O1 Amb27650630 [0,1,0,1,0,0|0,0,2]=4 1565 B11R1.175 O=C(O)c1ccc(B(O)O)o1 Amb3632325 [0,1,0,1,0,0|1,0,1]=4 1566 B11R1.175 O=C(O)c1ccc(B(O)O)s1 Amb2610771 [0,1,0,1,0,0|1,0,1]=4 1567 B11R1.175 O=C(O)c1ccc(C(=O)Cl)s1 Amb25114139 [0,1,0,1,0,0|1,0,0]=3 1568 B11R1.175 O=C(O)c1ccc(C(=O)O)o1 Amb2229291 [0,1,0,1,0,0|0,0,0]=2 1569 B11R1.175 O=C(O)c1ccc(C(=O)O)s1 Amb1149925 [0,1,0,1,0,0|0,0,0]=2 1570 B11R1.175 O=C(O)c1ccc(N(=O)=O)o1 Amb6356518 [0,1,0,1,0,0|1,0,1]=4 1571 B11R1.175 O=C(O)c1ccc(N(=O)=O)s1 Amb22347864 [0,1,0,1,0,0|1,0,1]=4 1572 B11R1.175 O=C(O)c1ccc([N+](=O)[O-])o1 Amb384557 [0,1,0,1,0,0|1,0,1]=4 1573 B11R1.175 O=C(O)c1ccc([N+](=O)[O-])s1 Amb1103228 [0,1,0,1,0,0|1,0,1]=4 1574 B11R1.175 O=C(O)c1cnc(C(=O)O)o1 Amb25270783 [0,1,0,1,0,0|1,0,0]=3 1575 B11R1.175 O=C(O)c1cnc(C(=O)O)s1 Amb24331714 [0,1,0,1,0,0|1,0,0]=3 1576 B11R1.175 O=C(O)c1coc(C(=O)O)c1 Amb4010052 [0,1,0,1,0,0|1,0,0]=3 1577 B11R1.175 O=C(O)c1csc(C(=O)O)c1 Amb13952464 [0,1,0,1,0,0|1,0,0]=3 1578 B11R1.175 O=C([O-])c1ccc(C(=O)[O-])s1 Amb4015465 [0,1,0,1,0,0|0,0,2]=4 1579 B11R1.314 C=C(C(=O)O)c1ccc(Br)o1 Amb33452187 [0,1,0,1,0,0|1,0,0]=3 1580 B11R1.314 C=C(C(=O)O)c1ccc(Br)s1 Amb18070697 [0,1,0,1,0,0|1,1,0]=4 1581 B11R1.314 C=C(C(=O)O)c1ccc(C)o1 Amb33317916 [0,1,0,1,0,0|1,0,0]=3 1582 B11R1.314 C=C(C(=O)O)c1ccc(C)s1 Amb33375456 [0,1,0,1,0,0|1,1,0]=4 1583 B11R1.314 C=C(C(=O)O)c1ccc(Cl)o1 Amb33258666 [0,1,0,1,0,0|1,0,0]=3 1584 B11R1.314 C=C(C(=O)O)c1ccc(Cl)s1 Amb18066236 [0,1,0,1,0,0|1,1,0]=4 1585 B11R1.314 CC(=O)C(=O)c1ccc(C)o1 Amb25151649 [0,1,0,1,0,0|2,0,0]=4 1586 B11R1.314 CC(C(=O)O)c1ccc(Br)o1 Amb27475577 [0,1,0,1,0,0|1,0,1]=4 1587 B11R1.314 CC(C(=O)O)c1ccc(Cl)o1 Amb33258313 [0,1,0,1,0,0|1,0,1]=4 1588 B11R1.314 C\C(C(=O)O)=C1/C=CC(=O)O1 Amb27863403 [0,1,0,1,0,0|0,0,0]=2 1589 B11R1.314 Cc1ccc(C(=O)C(=O)Br)o1 Amb28421775 [0,1,0,1,0,0|2,0,0]=4 1590 B11R1.314 Cc1ccc(C(=O)C(=O)Cl)o1 Amb26880510 [0,1,0,1,0,0|2,0,0]=4 1591 B11R1.314 Cc1ccc(C(=O)C(=O)O)o1 Amb28348891 [0,1,0,1,0,0|1,0,0]=3 1592 B11R1.314 Cc1ccc(C(=O)C(=O)O)s1 Amb8834289 [0,1,0,1,0,0|1,1,0]=4 1593 B11R1.314 Cc1ccc(C(C)C(=O)O)o1 Amb18952039 [0,1,0,1,0,0|1,0,1]=4 1594 B11R1.314 Cc1ccc(C(O)C(=O)O)o1 Amb18200290 [0,1,0,1,0,0|1,0,1]=4 1595 B11R1.314 Cc1ccc([C@@H](N)C(=O)O)o1 Amb28291367 [0,1,0,1,0,0|1,0,1]=4 1596 B11R1.314 NC(C(=O)O)c1ccc(Br)o1 Amb25823696 [0,1,0,1,0,0|1,0,1]=4 1597 B11R1.314 NC(C(=O)O)c1ccc(Cl)o1 Amb24761476 [0,1,0,1,0,0|1,0,1]=4 1598 B11R1.314 NC(C(=O)O)c1ccc(O)o1 Amb27398515 [0,1,0,1,0,0|0,0,2]=4 1599 B11R1.314 N[C@@H](C(=O)O)c1ccc(Br)o1 Amb27259498 [0,1,0,1,0,0|1,0,1]=4 1600 B11R1.314 N[C@H](C(=O)O)c1ccc(Br)o1 Amb27649611 [0,1,0,1,0,0|1,0,1]=4 1601 B11R1.314 O=C(Cl)C(=O)c1ccc(Cl)o1 Amb25241943 [0,1,0,1,0,0|2,0,0]=4 1602 B11R1.314 O=C(O)C(=O)c1ccc(Br)o1 Amb33451978 [0,1,0,1,0,0|1,0,0]=3 1603 B11R1.314 O=C(O)C(=O)c1ccc(Br)s1 Amb17251963 [0,1,0,1,0,0|1,1,0]=4 1604 B11R1.314 O=C(O)C(=O)c1ccc(Cl)o1 Amb33258217 [0,1,0,1,0,0|1,0,0]=3 1605 B11R1.314 O=C(O)C(=O)c1ccc(Cl)s1 Amb33528681 [0,1,0,1,0,0|1,1,0]=4 1606 B11R1.314 O=C(O)C(O)c1ccc(Br)o1 Amb33451980 [0,1,0,1,0,0|1,0,1]=4 1607 B11R1.314 O=C(O)C(O)c1ccc(Cl)o1 Amb33258268 [0,1,0,1,0,0|1,0,1]=4 1608 B11R1.667 CC1(C(=O)O)OC=CC(=O)O1 Amb27823320 [0,1,0,1,0,0|1,0,1]=4 1609 B11R2.139 O=C1C=C2SC(=O)C=C2S1 Amb26053895 [0,0,0,2,0,0|0,2,0]=4 1610 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [0,0,0,0,2,0|2,0,0]=4 1611 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [0,0,0,0,2,0|2,0,0]=4 1612 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [0,0,0,0,2,0|1,0,0]=3 1613 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,0,0,0,2,0|1,0,0]=3 1614 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [0,0,0,0,2,0|2,0,0]=4 1615 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,2,0|2,0,0]=4 1616 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,0,0,0,2,0|2,0,0]=4 1617 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [0,0,0,0,2,0|2,0,0]=4 1618 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [0,0,0,0,2,0|2,0,0]=4 1619 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,0,0,0,2,0|1,0,0]=3 1620 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [0,0,0,0,2,0|2,0,0]=4 1621 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,0,0,0,2,0|1,0,0]=3 1622 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [0,0,0,0,2,0|2,0,0]=4 1623 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,0,0,0,2,0|2,0,0]=4 1624 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [0,0,0,0,2,0|2,0,0]=4 1625 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,0,0,0,2,0|0,0,2]=4 1626 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,0,0,0,2,0|0,0,2]=4 1627 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,0,0,0,2,0|0,0,2]=4 1628 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,0,0,0,2,0|0,0,0]=2 1629 B7R0.6 O=C(O)\C=C\B(O)O Amb27864214 [0,0,0,0,2,0|1,0,1]=4 1630 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,0,0,0,2,0|1,0,0]=3 1631 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,0,0,0,2,0|0,0,0]=2 1632 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,0,0,0,2,0|0,0,0]=2 1633 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,0,0,0,2,0|0,1,0]=3 1634 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [0,0,0,0,2,0|1,0,1]=4 1635 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,0,0,0,2,0|0,0,1]=3 1636 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,0,0,0,2,0|0,0,1]=3 1637 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [0,0,0,0,2,0|0,0,2]=4 1638 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [0,0,0,0,2,0|0,0,2]=4 1639 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [0,0,0,0,2,0|0,0,2]=4 1640 B11R0.30 O=C(O)CC\C=C\CCC(=O)O Amb33986633 [0,0,0,0,0,2|0,0,2]=4