0 B13R1.589 C=C(C)Cc1ccccc1[N+](=O)[O-] Amb27403945 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.589 C=C(C)c1ccccc1NC(C)=O Amb24310152 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.589 CC(=O)Cc1ccccc1C(=O)O Amb6305261 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.589 CC(=O)Cc1ccccc1C(C)C Amb25838680 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.589 CC(=O)Cc1ccccc1N(C)C Amb24534709 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.589 CC(=O)Cc1ccccc1[N+](=O)[O-] Amb6674797 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.589 CC(=O)Cc1ncccc1C(=O)O Amb18648224 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.589 CC(=O)Nc1ccccc1B(F)F Amb27793267 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.589 CC(=O)Nc1ccccc1B(O)O Amb2455618 [0,0,0,0,0,0|2,0,1]=3 9 B13R1.589 CC(=O)Nc1ccccc1C(=O)O Amb1118185 [0,0,0,0,0,0|1,0,0]=1 10 B13R1.589 CC(=O)Nc1ccccc1C(C)=O Amb6275535 [0,0,0,0,0,0|2,0,0]=2 11 B13R1.589 CC(=O)Nc1ccccc1C(C)N Amb1135033 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.589 CC(=O)Nc1ccccc1C(C)O Amb9368934 [0,0,0,0,0,0|2,0,1]=3 13 B13R1.589 CC(=O)Nc1ccccc1C(N)=O Amb3095238 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.589 CC(=O)Nc1ccccc1N(C)C Amb24309902 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.589 CC(=O)Nc1ccccc1S(C)=O Amb24308983 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.589 CC(=O)Nc1ccccc1[N+](=O)[O-] Amb2550054 [0,0,0,0,0,0|2,0,1]=3 17 B13R1.589 CC(=O)Nc1cccnc1C(=O)O Amb26304149 [0,0,0,0,0,0|2,0,0]=2 18 B13R1.589 CC(=O)Nc1cccnc1C(N)=O Amb24739666 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.589 CC(=O)Nc1cccnc1[N+](=O)[O-] Amb10552761 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.589 CC(=O)Nc1ccncc1C(=O)O Amb20248236 [0,0,0,0,0,0|2,0,0]=2 21 B13R1.589 CC(=O)Nc1ccncc1C(N)=O Amb25843765 [0,0,0,0,0,0|3,0,0]=3 22 B13R1.589 CC(=O)Nc1cnccc1C(=O)O Amb5559233 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.589 CC(=O)Nc1cnccc1C(N)=S Amb27231820 [0,0,0,0,0,0|3,1,0]=4 24 B13R1.589 CC(=O)Nc1ncccc1C(=O)O Amb8630301 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.589 CC(=O)Nc1ncccc1C(N)=O Amb24470064 [0,0,0,0,0,0|3,0,0]=3 26 B13R1.589 CC(=O)Nc1ncccc1[N+](=O)[O-] Amb8630842 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.589 CC(=O)Nc1nccnc1C(C)=O Amb27162095 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.589 CC(=O)Nc1nccnc1C(N)=O Amb2609370 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.589 CC(=O)OC1C=CCCC1C(=O)O Amb27878621 [0,0,0,0,0,0|0,0,4]=4 30 B13R1.589 CC(=O)O[C@@H]1C=CCC[C@@H]1C(=O)O Amb28051868 [0,0,0,0,0,0|0,0,4]=4 31 B13R1.589 CC(=O)Oc1ccccc1B(O)O Amb26607048 [0,0,0,0,0,0|1,0,1]=2 32 B13R1.589 CC(=O)Oc1ccccc1C(=O)Cl Amb3939074 [0,0,0,0,0,0|1,0,0]=1 33 B13R1.589 CC(=O)Oc1ccccc1C(=O)O Amb17757514 [0,0,0,0,0,0|0,0,0]=0 34 B13R1.589 CC(=O)Oc1ccccc1C(=O)O Amb22745446 [0,0,0,0,0,0|0,0,0]=0 35 B13R1.589 CC(=O)Oc1ccccc1C(C)=O Amb2733554 [0,0,0,0,0,0|1,0,0]=1 36 B13R1.589 CC(=O)Oc1ccccc1C(C)C Amb28455359 [0,0,0,0,0,0|2,0,1]=3 37 B13R1.589 CC(=O)Oc1ccccc1C(C)O Amb27978557 [0,0,0,0,0,0|1,0,1]=2 38 B13R1.589 CC(=O)Oc1ccccc1[N+](=O)[O-] Amb3738007 [0,0,0,0,0,0|1,0,1]=2 39 B13R1.589 CC(=O)Oc1cccnc1C(C)=O Amb23412444 [0,0,0,0,0,0|2,0,0]=2 40 B13R1.589 CC(=O)Oc1cnccc1C(=O)O Amb27657819 [0,0,0,0,0,0|1,0,0]=1 41 B13R1.589 CC(=O)Sc1ccccc1C(=O)O Amb25851101 [0,0,0,0,0,0|0,1,0]=1 42 B13R1.589 CC(=O)Sc1ccccc1C(C)C Amb25336435 [0,0,0,0,0,0|2,1,1]=4 43 B13R1.589 CC(=O)Sc1cccnc1C(N)=O Amb28129271 [0,0,0,0,0,0|2,1,0]=3 44 B13R1.589 CC(=O)c1ccccc1CC(C)C Amb27226266 [0,0,0,0,0,0|3,0,1]=4 45 B13R1.589 CC(=O)c1ccccc1CC(C)F Amb27872687 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.589 CC(=O)c1ccccc1CC(C)N Amb24758195 [0,0,0,0,0,0|3,0,1]=4 47 B13R1.589 CC(=O)c1ccccc1CN(C)C Amb17106882 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.589 CC(=O)c1ccccc1OC(=O)Cl Amb33296994 [0,0,0,0,0,0|2,0,0]=2 49 B13R1.589 CC(=O)c1ccccc1OC(C)C Amb6493260 [0,0,0,0,0,0|2,0,1]=3 50 B13R1.589 CC(=O)c1ccccc1OC(F)F Amb1103340 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.589 CC(=O)c1cccnc1OC(C)C Amb23571474 [0,0,0,0,0,0|3,0,1]=4 52 B13R1.589 CC(C)Cc1ccccc1C(=O)O Amb18128234 [0,0,0,0,0,0|2,0,1]=3 53 B13R1.589 CC(C)Cc1ccccc1C(N)=O Amb27799490 [0,0,0,0,0,0|3,0,1]=4 54 B13R1.589 CC(C)Cc1cccnc1C(=O)O Amb28347411 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.589 CC(C)Cc1cnccc1C(=O)O Amb22752356 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.589 CC(C)Nc1ccccc1C(=O)O Amb841582 [0,0,0,0,0,0|2,0,1]=3 57 B13R1.589 CC(C)Nc1ccccc1C(N)=O Amb28397741 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.589 CC(C)Nc1cccnc1C(=O)O Amb27608713 [0,0,0,0,0,0|3,0,1]=4 59 B13R1.589 CC(C)Nc1ccncc1C(=O)O Amb23571339 [0,0,0,0,0,0|3,0,1]=4 60 B13R1.589 CC(C)Nc1cnccc1C(=O)O Amb25683114 [0,0,0,0,0,0|3,0,1]=4 61 B13R1.589 CC(C)Nc1ncccc1C(=O)O Amb6674997 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.589 CC(C)Oc1ccccc1B(O)O Amb8839096 [0,0,0,0,0,0|2,0,2]=4 63 B13R1.589 CC(C)Oc1ccccc1C(=N)N Amb6257214 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.589 CC(C)Oc1ccccc1C(=O)Cl Amb16230156 [0,0,0,0,0,0|2,0,1]=3 65 B13R1.589 CC(C)Oc1ccccc1C(=O)O Amb1135783 [0,0,0,0,0,0|1,0,1]=2 66 B13R1.589 CC(C)Oc1ccccc1C(C)O Amb9364391 [0,0,0,0,0,0|2,0,2]=4 67 B13R1.589 CC(C)Oc1ccccc1C(N)=O Amb2001134 [0,0,0,0,0,0|2,0,1]=3 68 B13R1.589 CC(C)Oc1ccccc1C(N)=S Amb6281791 [0,0,0,0,0,0|2,1,1]=4 69 B13R1.589 CC(C)Oc1ccccc1[C@@H](C)O Amb26498281 [0,0,0,0,0,0|2,0,2]=4 70 B13R1.589 CC(C)Oc1ccccc1[C@H](C)O Amb24408742 [0,0,0,0,0,0|2,0,2]=4 71 B13R1.589 CC(C)Oc1ccccc1[N+](=O)[O-] Amb19888994 [0,0,0,0,0,0|2,0,2]=4 72 B13R1.589 CC(C)Oc1cccnc1C(=O)O Amb18977581 [0,0,0,0,0,0|2,0,1]=3 73 B13R1.589 CC(C)Oc1ccncc1C(=O)O Amb25850474 [0,0,0,0,0,0|2,0,1]=3 74 B13R1.589 CC(C)Oc1cnccc1C(=O)O Amb27609018 [0,0,0,0,0,0|2,0,1]=3 75 B13R1.589 CC(C)Oc1cnccc1C(N)=O Amb28205767 [0,0,0,0,0,0|3,0,1]=4 76 B13R1.589 CC(C)Oc1ncccc1C(=O)O Amb6245339 [0,0,0,0,0,0|2,0,1]=3 77 B13R1.589 CC(C)Oc1ncccc1C(=O)O Amb6760588 [0,0,0,0,0,0|2,0,1]=3 78 B13R1.589 CC(C)Oc1nccnc1C(=O)O Amb18995655 [0,0,0,0,0,0|3,0,1]=4 79 B13R1.589 CC(C)Oc1ncncc1C(=O)O Amb27829555 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.589 CC(C)Sc1ccccc1C(=O)O Amb1928158 [0,0,0,0,0,0|1,1,1]=3 81 B13R1.589 CC(C)Sc1ccccc1C(N)=O Amb2186327 [0,0,0,0,0,0|2,1,1]=4 82 B13R1.589 CC(C)Sc1ncccc1C(=O)O Amb1124373 [0,0,0,0,0,0|2,1,1]=4 83 B13R1.589 CC(C)Sc1ncccc1C(=O)O Amb33552813 [0,0,0,0,0,0|2,1,1]=4 84 B13R1.589 CC(C)c1ccccc1OC(=O)Cl Amb24438320 [0,0,0,0,0,0|3,0,1]=4 85 B13R1.589 CC(Cl)Cc1ccccc1C(=O)O Amb17477621 [0,0,0,0,0,0|2,0,1]=3 86 B13R1.589 CC(F)Cc1ccccc1C(=O)O Amb27958931 [0,0,0,0,0,0|2,0,1]=3 87 B13R1.589 CC(N)Cc1ccccc1C(=O)O Amb27786895 [0,0,0,0,0,0|2,0,1]=3 88 B13R1.589 CC(O)Cc1ccccc1C(=O)O Amb17477610 [0,0,0,0,0,0|1,0,2]=3 89 B13R1.589 CC(O)Sc1ccccc1C(=O)O Amb28385686 [0,0,0,0,0,0|0,1,2]=3 90 B13R1.589 CN(C)Cc1ccccc1C(=O)O Amb6739902 [0,0,0,0,0,0|3,0,0]=3 91 B13R1.589 CN(C)Cc1ccccc1C(=O)O Amb8503390 [0,0,0,0,0,0|3,0,0]=3 92 B13R1.589 CN(C)Nc1ccccc1C(=O)O Amb27232357 [0,0,0,0,0,0|3,0,0]=3 93 B13R1.589 CS(=O)Cc1ncccc1C(=O)O Amb27595182 [0,0,0,0,0,0|3,0,0]=3 94 B13R1.589 CS(=O)Nc1ccccc1B(O)O Amb35705621 [0,0,0,0,0,0|3,0,1]=4 95 B13R1.589 CS(=O)Nc1ccccc1C(=O)O Amb28194845 [0,0,0,0,0,0|2,0,0]=2 96 B13R1.589 CS(=O)c1ccccc1CC(=O)O Amb28193429 [0,0,0,0,0,0|4,0,0]=4 97 B13R1.589 N=C(N)Nc1ccccc1C(=O)O Amb27645430 [0,0,0,0,0,0|3,0,0]=3 98 B13R1.589 N=C(N)Nc1cnccc1C(=O)O Amb32455794 [0,0,0,0,0,0|4,0,0]=4 99 B13R1.589 N=C(N)c1ccccc1CC(=O)O Amb25699043 [0,0,0,0,0,0|4,0,0]=4 100 B13R1.589 NC(=O)Cc1ccccc1B(O)O Amb28243327 [0,0,0,0,0,0|3,0,1]=4 101 B13R1.589 NC(=O)Cc1ccccc1[N+](=O)[O-] Amb2613526 [0,0,0,0,0,0|3,0,1]=4 102 B13R1.589 NC(=O)Nc1ccccc1B(O)O Amb35697268 [0,0,0,0,0,0|3,0,1]=4 103 B13R1.589 NC(=O)Nc1ccccc1C(=O)O Amb1116749 [0,0,0,0,0,0|2,0,0]=2 104 B13R1.589 NC(=O)Nc1ccccc1C(N)=O Amb28458462 [0,0,0,0,0,0|3,0,0]=3 105 B13R1.589 NC(=O)Nc1ccccc1C(N)=S Amb6271161 [0,0,0,0,0,0|3,1,0]=4 106 B13R1.589 NC(=O)Nc1ccccc1[N+](=O)[O-] Amb8484888 [0,0,0,0,0,0|3,0,1]=4 107 B13R1.589 NC(=O)Nc1cccnc1C(N)=O Amb27180181 [0,0,0,0,0,0|4,0,0]=4 108 B13R1.589 NC(=O)Nc1ccncc1C(=O)O Amb28345917 [0,0,0,0,0,0|3,0,0]=3 109 B13R1.589 NC(=O)Oc1ccccc1C(N)=O Amb27407073 [0,0,0,0,0,0|2,0,0]=2 110 B13R1.589 NC(=O)Oc1ccccc1[N+](=O)[O-] Amb27861154 [0,0,0,0,0,0|2,0,1]=3 111 B13R1.589 NC(=O)Sc1ccccc1C(=O)O Amb28041853 [0,0,0,0,0,0|1,1,0]=2 112 B13R1.589 NC(=O)c1ccccc1CC(=O)O Amb33544363 [0,0,0,0,0,0|3,0,0]=3 113 B13R1.589 NC(=S)Nc1ccccc1C(=O)O Amb23129365 [0,0,0,0,0,0|2,1,0]=3 114 B13R1.589 NC(=S)c1ccccc1OC(=O)Cl Amb33296804 [0,0,0,0,0,0|2,1,0]=3 115 B13R1.589 NC(N)=Nc1ccncc1C(=O)O Amb32455790 [0,0,0,0,0,0|4,0,0]=4 116 B13R1.589 NC(N)=Nc1ncccc1C(=O)O Amb32455789 [0,0,0,0,0,0|4,0,0]=4 117 B13R1.589 O=C(Cl)Cc1ccccc1[N+](=O)[O-] Amb17940433 [0,0,0,0,0,0|3,0,1]=4 118 B13R1.589 O=C(Cl)Nc1ccccc1[N+](=O)[O-] Amb27875310 [0,0,0,0,0,0|3,0,1]=4 119 B13R1.589 O=C(Cl)Oc1ccccc1B(O)O Amb33297153 [0,0,0,0,0,0|2,0,1]=3 120 B13R1.589 O=C(Cl)Oc1ccccc1[N+](=O)[O-] Amb10844788 [0,0,0,0,0,0|2,0,1]=3 121 B13R1.589 O=C(Cl)Oc1cccnc1[N+](=O)[O-] Amb33296828 [0,0,0,0,0,0|3,0,1]=4 122 B13R1.589 O=C(Cl)Sc1ccccc1C(=O)O Amb32679651 [0,0,0,0,0,0|1,1,0]=2 123 B13R1.589 O=C(Cl)c1ccccc1OC(F)F Amb6743382 [0,0,0,0,0,0|3,0,1]=4 124 B13R1.589 O=C(O)Cc1ccccc1B(O)O Amb20171111 [0,0,0,0,0,0|3,0,1]=4 125 B13R1.589 O=C(O)Cc1ccccc1C(=O)O Amb1093877 [0,0,0,0,0,0|2,0,0]=2 126 B13R1.589 O=C(O)Cc1ccccc1C(=O)S Amb27401983 [0,0,0,0,0,0|2,1,0]=3 127 B13R1.589 O=C(O)Cc1ccccc1[N+](=O)[O-] Amb6497676 [0,0,0,0,0,0|3,0,1]=4 128 B13R1.589 O=C(O)Cc1cccnc1C(=O)O Amb2794492 [0,0,0,0,0,0|3,0,0]=3 129 B13R1.589 O=C(O)Cc1nccnc1C(=O)O Amb18192793 [0,0,0,0,0,0|4,0,0]=4 130 B13R1.589 O=C(O)Cc1ncncc1C(=O)O Amb18192797 [0,0,0,0,0,0|4,0,0]=4 131 B13R1.589 O=C(O)Oc1cccnc1C(=O)O Amb2644073 [0,0,0,0,0,0|2,0,0]=2 132 B13R1.589 O=C(O)c1ccccc1C=C(Cl)Cl Amb27614228 [0,0,0,0,0,0|3,0,0]=3 133 B13R1.589 O=C(O)c1ccccc1C=C(F)F Amb27614440 [0,0,0,0,0,0|3,0,0]=3 134 B13R1.589 O=C(O)c1ccccc1CC(F)F Amb27872692 [0,0,0,0,0,0|3,0,1]=4 135 B13R1.589 O=C(O)c1ccccc1N[N+](=O)[O-] Amb27777521 [0,0,0,0,0,0|3,0,0]=3 136 B13R1.589 O=C(O)c1ccccc1OC(F)F Amb1209367 [0,0,0,0,0,0|2,0,1]=3 137 B13R1.589 O=C(O)c1ccccc1SC(F)F Amb1212419 [0,0,0,0,0,0|2,1,1]=4 138 B13R1.589 O=C(O)c1cccnc1N[N+](=O)[O-] Amb20248038 [0,0,0,0,0,0|4,0,0]=4 139 B13R1.589 O=C(O)c1cccnc1OC(F)F Amb24117883 [0,0,0,0,0,0|3,0,1]=4 140 B13R1.589 O=C(O)c1ccncc1OC(F)F Amb25347356 [0,0,0,0,0,0|3,0,1]=4 141 B13R1.589 O=C(O)c1cnccc1OC(F)F Amb27218230 [0,0,0,0,0,0|3,0,1]=4 142 B13R1.589 O=C(O)c1ncccc1OC(F)F Amb18292088 [0,0,0,0,0,0|3,0,1]=4 143 B13R1.589 O=C([O-])c1ccccc1OC(F)F Amb33513214 [0,0,0,0,0,0|2,0,2]=4 144 B13R1.589 O=[N+]([O-])c1ccccc1OC(=S)Cl Amb8629310 [0,0,0,0,0,0|2,1,1]=4 145 B12R1.75 C#Cc1ccccc1CC(C)=O Amb33314789 [1,0,0,0,0,0|2,0,1]=4 146 B12R1.75 C#Cc1ccccc1NC(C)=O Amb25783787 [1,0,0,0,0,0|2,0,1]=4 147 B12R1.75 C#Cc1ccccc1OC(C)=O Amb23412358 [1,0,0,0,0,0|1,0,1]=3 148 B12R1.75 C=Cc1ccccc1NC(C)=O Amb27230576 [1,0,0,0,0,0|2,0,0]=3 149 B12R1.75 C=Cc1ccccc1OC(C)=O Amb18798087 [1,0,0,0,0,0|1,0,0]=2 150 B12R1.75 C=Cc1ccccc1OC(C)C Amb22586355 [1,0,0,0,0,0|2,0,1]=4 151 B12R1.75 CC(=O)Cc1ccccc1C#N Amb2695082 [1,0,0,0,0,0|2,0,1]=4 152 B12R1.75 CC(=O)Cc1ccccc1CBr Amb27613738 [1,0,0,0,0,0|2,0,1]=4 153 B12R1.75 CC(=O)Cc1ccccc1CF Amb27259494 [1,0,0,0,0,0|2,0,1]=4 154 B12R1.75 CC(=O)Cc1ccccc1CN Amb33447081 [1,0,0,0,0,0|2,0,1]=4 155 B12R1.75 CC(=O)Nc1ccccc1C#N Amb6331986 [1,0,0,0,0,0|2,0,1]=4 156 B12R1.75 CC(=O)Nc1ccccc1C=O Amb2693665 [1,0,0,0,0,0|1,0,0]=2 157 B12R1.75 CC(=O)Nc1ccccc1CCl Amb24635762 [1,0,0,0,0,0|2,0,1]=4 158 B12R1.75 CC(=O)Nc1ccccc1CN Amb1112133 [1,0,0,0,0,0|2,0,1]=4 159 B12R1.75 CC(=O)Nc1ccccc1CN Amb33549916 [1,0,0,0,0,0|2,0,1]=4 160 B12R1.75 CC(=O)Nc1ccccc1CO Amb13952729 [1,0,0,0,0,0|1,0,1]=3 161 B12R1.75 CC(=O)Nc1ccccc1CS Amb32788847 [1,0,0,0,0,0|1,1,1]=4 162 B12R1.75 CC(=O)Nc1ccccc1N=O Amb24446438 [1,0,0,0,0,0|2,0,0]=3 163 B12R1.75 CC(=O)Nc1ccccc1NN Amb24586260 [1,0,0,0,0,0|3,0,0]=4 164 B12R1.75 CC(=O)Nc1cnccc1C=O Amb22371535 [1,0,0,0,0,0|2,0,0]=3 165 B12R1.75 CC(=O)Nc1ncccc1C=O Amb27393781 [1,0,0,0,0,0|2,0,0]=3 166 B12R1.75 CC(=O)Nc1ncccc1CO Amb18625185 [1,0,0,0,0,0|2,0,1]=4 167 B12R1.75 CC(=O)Oc1ccccc1C#N Amb2725532 [1,0,0,0,0,0|1,0,1]=3 168 B12R1.75 CC(=O)Oc1ccccc1C=O Amb4019335 [1,0,0,0,0,0|0,0,0]=1 169 B12R1.75 CC(=O)Oc1ccccc1CBr Amb22737638 [1,0,0,0,0,0|1,0,1]=3 170 B12R1.75 CC(=O)Oc1ccccc1CCl Amb3939738 [1,0,0,0,0,0|1,0,1]=3 171 B12R1.75 CC(=O)Oc1ccccc1CN Amb10669545 [1,0,0,0,0,0|1,0,1]=3 172 B12R1.75 CC(=O)Oc1ccccc1[Zn]I Amb6300278 [1,0,0,0,0,0|2,0,0]=3 173 B12R1.75 CC(=O)Oc1cccnc1C#N Amb28137295 [1,0,0,0,0,0|2,0,1]=4 174 B12R1.75 CC(=O)Sc1ccccc1C=O Amb27178120 [1,0,0,0,0,0|0,1,0]=2 175 B12R1.75 CC(C)=Cc1ccccc1C=O Amb18645369 [1,0,0,0,0,0|2,0,0]=3 176 B12R1.75 CC(C)Cc1ccccc1C=O Amb25137753 [1,0,0,0,0,0|2,0,1]=4 177 B12R1.75 CC(C)Nc1ccccc1C=O Amb24710350 [1,0,0,0,0,0|2,0,1]=4 178 B12R1.75 CC(C)Oc1ccccc1C=O Amb1033079 [1,0,0,0,0,0|1,0,1]=3 179 B12R1.75 CC(C)Oc1ccccc1CO Amb6706314 [1,0,0,0,0,0|1,0,2]=4 180 B12R1.75 CC(C)Oc1cccnc1C=O Amb22755033 [1,0,0,0,0,0|2,0,1]=4 181 B12R1.75 CC(C)Oc1ccncc1C=O Amb27966190 [1,0,0,0,0,0|2,0,1]=4 182 B12R1.75 CC(C)Oc1cnccc1C=O Amb28196592 [1,0,0,0,0,0|2,0,1]=4 183 B12R1.75 CC(C)Oc1ncccc1C=O Amb4561137 [1,0,0,0,0,0|2,0,1]=4 184 B12R1.75 CC(Cl)Oc1ccccc1C=O Amb27401873 [1,0,0,0,0,0|1,0,1]=3 185 B12R1.75 CC(F)Cc1ccccc1C=O Amb27636154 [1,0,0,0,0,0|2,0,1]=4 186 B12R1.75 CCc1ccccc1CC(C)=O Amb27441454 [1,0,0,0,0,0|2,0,1]=4 187 B12R1.75 CCc1ccccc1NC(C)=O Amb2774187 [1,0,0,0,0,0|2,0,1]=4 188 B12R1.75 CCc1ccccc1OC(=O)Cl Amb27181232 [1,0,0,0,0,0|2,0,1]=4 189 B12R1.75 CCc1ccccc1OC(C)=O Amb22230209 [1,0,0,0,0,0|1,0,1]=3 190 B12R1.75 CCc1ccccc1SC(C)=O Amb27466313 [1,0,0,0,0,0|1,1,1]=4 191 B12R1.75 CN(C)Cc1ccccc1C=O Amb16187131 [1,0,0,0,0,0|3,0,0]=4 192 B12R1.75 COc1ccccc1CC(C)=O Amb4606012 [1,0,0,0,0,0|3,0,0]=4 193 B12R1.75 COc1ccccc1NC(C)=O Amb6539257 [1,0,0,0,0,0|3,0,0]=4 194 B12R1.75 COc1ccccc1OC(=O)Cl Amb21618687 [1,0,0,0,0,0|3,0,0]=4 195 B12R1.75 COc1ccccc1OC(C)=O Amb2688624 [1,0,0,0,0,0|2,0,0]=3 196 B12R1.75 COc1ccccc1SC(C)=O Amb26599835 [1,0,0,0,0,0|2,1,0]=4 197 B12R1.75 CSc1ccccc1CC(C)=O Amb26607349 [1,0,0,0,0,0|3,0,0]=4 198 B12R1.75 CSc1ccccc1NC(C)=O Amb5557352 [1,0,0,0,0,0|3,0,0]=4 199 B12R1.75 CSc1ccccc1OC(=O)Cl Amb27447892 [1,0,0,0,0,0|3,0,0]=4 200 B12R1.75 CSc1ccccc1OC(C)=O Amb27426803 [1,0,0,0,0,0|2,0,0]=3 201 B12R1.75 CSc1ccccc1SC(C)=O Amb24571197 [1,0,0,0,0,0|2,1,0]=4 202 B12R1.75 N#Cc1ccccc1OC(=O)Cl Amb27181230 [1,0,0,0,0,0|2,0,1]=4 203 B12R1.75 N#Cc1ccccc1OC(N)=O Amb27244836 [1,0,0,0,0,0|2,0,1]=4 204 B12R1.75 NC(=O)Oc1ccccc1C=O Amb27858254 [1,0,0,0,0,0|1,0,0]=2 205 B12R1.75 O=C(Cl)Oc1ccccc1CO Amb27224262 [1,0,0,0,0,0|1,0,1]=3 206 B12R1.75 O=C(O)Cc1ccccc1CO Amb18646479 [1,0,0,0,0,0|2,0,1]=4 207 B12R1.75 O=C([O-])Cc1ccccc1CO Amb33553058 [1,0,0,0,0,0|2,0,1]=4 208 B12R1.75 O=Cc1ccccc1CC(=O)O Amb18645971 [1,0,0,0,0,0|2,0,0]=3 209 B12R1.75 O=Cc1ccccc1OC(F)F Amb1234413 [1,0,0,0,0,0|2,0,1]=4 210 B12R1.75 O=Nc1ccccc1CC(=O)O Amb27478083 [1,0,0,0,0,0|3,0,0]=4 211 B12R1.75 [C-]#[N+]c1ccccc1OC(N)=O Amb28385055 [1,0,0,0,0,0|3,0,0]=4 212 B12R1.283 C=C=Cc1ccccc1C(=O)O Amb27477744 [1,0,0,0,0,0|1,0,2]=4 213 B12R1.283 C=CCc1ccccc1C(=O)O Amb2699197 [1,0,0,0,0,0|1,0,1]=3 214 B12R1.283 C=CCc1ccccc1C(C)=O Amb28198625 [1,0,0,0,0,0|2,0,1]=4 215 B12R1.283 C=CCc1ccccc1C(N)=O Amb24106007 [1,0,0,0,0,0|2,0,1]=4 216 B12R1.283 C=CCc1ccncc1C(=O)O Amb27815951 [1,0,0,0,0,0|2,0,1]=4 217 B12R1.283 C=CCc1ncccc1C(=O)O Amb27232683 [1,0,0,0,0,0|2,0,1]=4 218 B12R1.283 CC#Cc1ccccc1C(C)=O Amb25044342 [1,0,0,0,0,0|2,0,1]=4 219 B12R1.283 CC(=O)c1ccccc1N=C=O Amb26318021 [1,0,0,0,0,0|2,0,1]=4 220 B12R1.283 CC(=O)c1ccccc1OC#N Amb25986447 [1,0,0,0,0,0|2,0,1]=4 221 B12R1.283 CC(=O)c1ccccc1OC=O Amb27177568 [1,0,0,0,0,0|1,0,0]=2 222 B12R1.283 CC(=O)c1ccccc1OCCl Amb26857013 [1,0,0,0,0,0|2,0,1]=4 223 B12R1.283 CCCc1ccccc1C(=O)O Amb18646088 [1,0,0,0,0,0|1,0,1]=3 224 B12R1.283 CCCc1ccccc1C(C)=O Amb25974909 [1,0,0,0,0,0|2,0,1]=4 225 B12R1.283 CCCc1ncccc1C(=O)O Amb27615264 [1,0,0,0,0,0|2,0,1]=4 226 B12R1.283 CCNc1ccccc1C(=O)Cl Amb27986162 [1,0,0,0,0,0|2,0,1]=4 227 B12R1.283 CCNc1ccccc1C(=O)O Amb6358476 [1,0,0,0,0,0|1,0,1]=3 228 B12R1.283 CCNc1ccccc1C(C)=O Amb27642313 [1,0,0,0,0,0|2,0,1]=4 229 B12R1.283 CCNc1cccnc1C(=O)O Amb27763933 [1,0,0,0,0,0|2,0,1]=4 230 B12R1.283 CCNc1cccnc1C(=O)O Amb29934062 [1,0,0,0,0,0|2,0,1]=4 231 B12R1.283 CCNc1cnccc1C(=O)O Amb24664847 [1,0,0,0,0,0|2,0,1]=4 232 B12R1.283 CCNc1ncccc1C(=O)O Amb6675058 [1,0,0,0,0,0|2,0,1]=4 233 B12R1.283 CCOc1ccccc1B(O)O Amb3939245 [1,0,0,0,0,0|1,0,2]=4 234 B12R1.283 CCOc1ccccc1C(=N)N Amb2696670 [1,0,0,0,0,0|2,0,1]=4 235 B12R1.283 CCOc1ccccc1C(=N)N Amb2699644 [1,0,0,0,0,0|2,0,1]=4 236 B12R1.283 CCOc1ccccc1C(=O)Cl Amb3939566 [1,0,0,0,0,0|1,0,1]=3 237 B12R1.283 CCOc1ccccc1C(=O)O Amb6357418 [1,0,0,0,0,0|0,0,1]=2 238 B12R1.283 CCOc1ccccc1C(C)=O Amb1209774 [1,0,0,0,0,0|1,0,1]=3 239 B12R1.283 CCOc1ccccc1C(C)O Amb9703338 [1,0,0,0,0,0|1,0,2]=4 240 B12R1.283 CCOc1ccccc1C(N)=O Amb6354577 [1,0,0,0,0,0|1,0,1]=3 241 B12R1.283 CCOc1ccccc1C(N)=S Amb6373449 [1,0,0,0,0,0|1,1,1]=4 242 B12R1.283 CCOc1ccccc1N(=O)=O Amb20621865 [1,0,0,0,0,0|1,0,2]=4 243 B12R1.283 CCOc1ccccc1[C@@H](C)O Amb6893637 [1,0,0,0,0,0|1,0,2]=4 244 B12R1.283 CCOc1ccccc1[C@H](C)O Amb6893636 [1,0,0,0,0,0|1,0,2]=4 245 B12R1.283 CCOc1cccnc1C(=O)O Amb18298125 [1,0,0,0,0,0|1,0,1]=3 246 B12R1.283 CCOc1cccnc1S(=O)O Amb33328974 [1,0,0,0,0,0|2,0,1]=4 247 B12R1.283 CCOc1ccncc1C(C)=O Amb23401176 [1,0,0,0,0,0|2,0,1]=4 248 B12R1.283 CCOc1cnccc1C(=O)O Amb16230608 [1,0,0,0,0,0|1,0,1]=3 249 B12R1.283 CCOc1cnccc1C(C)=O Amb26627266 [1,0,0,0,0,0|2,0,1]=4 250 B12R1.283 CCOc1ncccc1C(=O)Cl Amb27961448 [1,0,0,0,0,0|2,0,1]=4 251 B12R1.283 CCOc1ncccc1C(=O)O Amb535141 [1,0,0,0,0,0|1,0,1]=3 252 B12R1.283 CCOc1ncccc1C(N)=O Amb13994963 [1,0,0,0,0,0|2,0,1]=4 253 B12R1.283 CCOc1nccnc1C(=O)O Amb18300469 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.283 CCOc1ncncc1C(=O)O Amb18646863 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.283 CCSc1ccccc1C(=O)Cl Amb10879592 [1,0,0,0,0,0|1,1,1]=4 256 B12R1.283 CCSc1ccccc1C(=O)O Amb1928152 [1,0,0,0,0,0|0,1,1]=3 257 B12R1.283 CCSc1ccccc1C(C)=O Amb6681908 [1,0,0,0,0,0|1,1,1]=4 258 B12R1.283 CCSc1cccnc1C(=O)O Amb25053869 [1,0,0,0,0,0|1,1,1]=4 259 B12R1.283 CCSc1cnccc1C(=O)O Amb26493277 [1,0,0,0,0,0|1,1,1]=4 260 B12R1.283 CNCc1ccccc1C(=O)O Amb19649750 [1,0,0,0,0,0|2,0,0]=3 261 B12R1.283 CNCc1ccccc1C(=O)O Amb2119454 [1,0,0,0,0,0|2,0,0]=3 262 B12R1.283 COCc1ccccc1C(=O)O Amb6892881 [1,0,0,0,0,0|2,0,0]=3 263 B12R1.283 COCc1ccccc1C(N)=O Amb8999132 [1,0,0,0,0,0|3,0,0]=4 264 B12R1.283 CSCc1ccccc1C(=O)O Amb17498201 [1,0,0,0,0,0|2,0,0]=3 265 B12R1.283 CSCc1ccccc1C(C)=O Amb28250452 [1,0,0,0,0,0|3,0,0]=4 266 B12R1.283 CSCc1cccnc1C(=O)O Amb18303078 [1,0,0,0,0,0|3,0,0]=4 267 B12R1.283 C\C=C/c1ccccc1C(C)=O Amb24649748 [1,0,0,0,0,0|2,0,0]=3 268 B12R1.283 C\C=C\c1ccccc1C(=O)O Amb17666459 [1,0,0,0,0,0|1,0,0]=2 269 B12R1.283 N#CCc1ccccc1C(=O)O Amb6315733 [1,0,0,0,0,0|2,0,1]=4 270 B12R1.283 N#COc1cccnc1C(=O)O Amb27840509 [1,0,0,0,0,0|2,0,1]=4 271 B12R1.283 N=C(\N)c1ccccc1OCC Amb20619399 [1,0,0,0,0,0|2,0,1]=4 272 B12R1.283 NC(=O)c1ccccc1NC=O Amb27984337 [1,0,0,0,0,0|2,0,0]=3 273 B12R1.283 NC(=O)c1ccccc1OCCl Amb27872007 [1,0,0,0,0,0|2,0,1]=4 274 B12R1.283 NC(=O)c1ccccc1\C=C\Br Amb33135402 [1,0,0,0,0,0|3,0,0]=4 275 B12R1.283 NC(=S)c1ccccc1NC=O Amb27593988 [1,0,0,0,0,0|2,1,0]=4 276 B12R1.283 NCCc1ccccc1C(=O)O Amb21857779 [1,0,0,0,0,0|2,0,1]=4 277 B12R1.283 NCCc1ccccc1C(=O)O Amb8631407 [1,0,0,0,0,0|2,0,1]=4 278 B12R1.283 O=C(O)c1ccccc1SCCl Amb4004196 [1,0,0,0,0,0|1,1,1]=4 279 B12R1.283 O=C(O)c1ccccc1\C=C\Br Amb33134894 [1,0,0,0,0,0|2,0,0]=3 280 B12R1.283 O=C(O)c1ccccc1\C=N/O Amb21811522 [1,0,0,0,0,0|2,0,1]=4 281 B12R1.283 O=C(O)c1ccccc1\N=N\O Amb24519485 [1,0,0,0,0,0|2,0,1]=4 282 B12R1.283 O=C=Nc1ccccc1C(=O)Cl Amb15741174 [1,0,0,0,0,0|2,0,1]=4 283 B12R1.283 O=C=Nc1ncccc1C(=O)O Amb27796518 [1,0,0,0,0,0|2,0,1]=4 284 B12R1.283 O=CCc1ccccc1C(=O)O Amb17594062 [1,0,0,0,0,0|1,0,0]=2 285 B12R1.283 O=CCc1ccccc1[N+](=O)[O-] Amb25292155 [1,0,0,0,0,0|2,0,1]=4 286 B12R1.283 O=CNc1ccccc1B(O)O Amb27162154 [1,0,0,0,0,0|2,0,1]=4 287 B12R1.283 O=CNc1ccccc1C(=O)O Amb3998047 [1,0,0,0,0,0|1,0,0]=2 288 B12R1.283 O=CNc1ccccc1[N+](=O)[O-] Amb4018294 [1,0,0,0,0,0|2,0,1]=4 289 B12R1.283 O=CNc1cnccc1C(=O)O Amb27412854 [1,0,0,0,0,0|2,0,0]=3 290 B12R1.283 O=COc1ccccc1C(=O)O Amb27753467 [1,0,0,0,0,0|0,0,0]=1 291 B12R1.283 O=COc1cccnc1C(=O)O Amb2612057 [1,0,0,0,0,0|1,0,0]=2 292 B12R1.283 [N-]=[N+]=Nc1ccccc1C(=O)O Amb19889279 [1,0,0,0,0,0|3,0,0]=4 293 B14R1.164 CC(=O)Cc1cc(Br)ccc1C(=O)Cl Amb27967967 [0,1,0,0,0,0|2,0,0]=3 294 B14R1.164 CC(=O)Cc1cc(Br)ccc1[N+](=O)[O-] Amb28045112 [0,1,0,0,0,0|2,0,1]=4 295 B14R1.164 CC(=O)Cc1cc(C)ccc1B(O)O Amb27793635 [0,1,0,0,0,0|2,0,1]=4 296 B14R1.164 CC(=O)Cc1cc(C)ccc1C(=O)O Amb28134096 [0,1,0,0,0,0|1,0,0]=2 297 B14R1.164 CC(=O)Cc1cc(C)ccc1[N+](=O)[O-] Amb26558255 [0,1,0,0,0,0|2,0,1]=4 298 B14R1.164 CC(=O)Cc1cc(Cl)ccc1[N+](=O)[O-] Amb33262558 [0,1,0,0,0,0|2,0,1]=4 299 B14R1.164 CC(=O)Cc1cc(F)ccc1B(O)O Amb27796396 [0,1,0,0,0,0|2,0,1]=4 300 B14R1.164 CC(=O)Cc1cc(F)ccc1[N+](=O)[O-] Amb24735602 [0,1,0,0,0,0|2,0,1]=4 301 B14R1.164 CC(=O)Cc1cc(N)ccc1C(=O)Cl Amb27192562 [0,1,0,0,0,0|2,0,0]=3 302 B14R1.164 CC(=O)Cc1cc(N)ccc1C(=O)O Amb27621655 [0,1,0,0,0,0|1,0,0]=2 303 B14R1.164 CC(=O)Cc1cc(O)ccc1[N+](=O)[O-] Amb27630061 [0,1,0,0,0,0|2,0,1]=4 304 B14R1.164 CC(=O)Cc1cc(S)ccc1C(=O)O Amb28073145 [0,1,0,0,0,0|1,0,0]=2 305 B14R1.164 CC(=O)Nc1cc(Br)ccc1C(=O)O Amb13951513 [0,1,0,0,0,0|1,0,0]=2 306 B14R1.164 CC(=O)Nc1cc(Br)ccc1C(N)=O Amb25841440 [0,1,0,0,0,0|2,0,0]=3 307 B14R1.164 CC(=O)Nc1cc(Br)ccc1[N+](=O)[O-] Amb2604670 [0,1,0,0,0,0|2,0,1]=4 308 B14R1.164 CC(=O)Nc1cc(Br)cnc1C(=O)O Amb26050007 [0,1,0,0,0,0|2,0,0]=3 309 B14R1.164 CC(=O)Nc1cc(C)ccc1B(O)O Amb29856288 [0,1,0,0,0,0|2,0,1]=4 310 B14R1.164 CC(=O)Nc1cc(C)ccc1[N+](=O)[O-] Amb2616468 [0,1,0,0,0,0|2,0,1]=4 311 B14R1.164 CC(=O)Nc1cc(C)ncc1C(=O)O Amb27470878 [0,1,0,0,0,0|2,0,0]=3 312 B14R1.164 CC(=O)Nc1cc(Cl)ccc1B(O)O Amb29856372 [0,1,0,0,0,0|2,0,1]=4 313 B14R1.164 CC(=O)Nc1cc(Cl)ccc1C(=O)O Amb1114653 [0,1,0,0,0,0|1,0,0]=2 314 B14R1.164 CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] Amb3987338 [0,1,0,0,0,0|2,0,1]=4 315 B14R1.164 CC(=O)Nc1cc(F)ccc1B(O)O Amb25060598 [0,1,0,0,0,0|2,0,1]=4 316 B14R1.164 CC(=O)Nc1cc(F)ccc1C(=O)O Amb1141138 [0,1,0,0,0,0|1,0,0]=2 317 B14R1.164 CC(=O)Nc1cc(F)ccc1[N+](=O)[O-] Amb5722438 [0,1,0,0,0,0|2,0,1]=4 318 B14R1.164 CC(=O)Nc1cc(N)ccc1C(=O)O Amb18651729 [0,1,0,0,0,0|1,0,0]=2 319 B14R1.164 CC(=O)Nc1cc(O)ccc1[N+](=O)[O-] Amb22363473 [0,1,0,0,0,0|2,0,1]=4 320 B14R1.164 CC(=O)Oc1cc(Br)ccc1C(=O)O Amb18137234 [0,1,0,0,0,0|0,0,0]=1 321 B14R1.164 CC(=O)Oc1cc(C)ccc1C(=O)O Amb20668016 [0,1,0,0,0,0|0,0,0]=1 322 B14R1.164 CC(=O)Oc1cc(C)ccc1C(N)=O Amb26012186 [0,1,0,0,0,0|1,0,0]=2 323 B14R1.164 CC(=O)Oc1cc(F)ccc1[N+](=O)[O-] Amb2780351 [0,1,0,0,0,0|1,0,1]=3 324 B14R1.164 CC(=O)Oc1cc(N)ccc1C(=O)O Amb26852264 [0,1,0,0,0,0|0,0,0]=1 325 B14R1.164 CC(=O)Oc1cc(O)ccc1C(N)=O Amb27955286 [0,1,0,0,0,0|1,0,0]=2 326 B14R1.164 CC(=O)c1ccc(Br)cc1OC(=O)Cl Amb33296829 [0,1,0,0,0,0|2,0,0]=3 327 B14R1.164 CC(=O)c1ccc(Br)cc1OC(C)C Amb25812293 [0,1,0,0,0,0|2,0,1]=4 328 B14R1.164 CC(=O)c1ccc(C)cc1OC(=O)Cl Amb33297038 [0,1,0,0,0,0|2,0,0]=3 329 B14R1.164 CC(=O)c1ccc(Cl)cc1CC(=O)O Amb27643499 [0,1,0,0,0,0|3,0,0]=4 330 B14R1.164 CC(=O)c1ccc(F)cc1OC(=O)Cl Amb33297061 [0,1,0,0,0,0|2,0,0]=3 331 B14R1.164 CC(=O)c1ccc(F)cc1OC(C)C Amb19043619 [0,1,0,0,0,0|2,0,1]=4 332 B14R1.164 CC(=O)c1ccc(O)cc1OC(C)C Amb28351371 [0,1,0,0,0,0|2,0,1]=4 333 B14R1.164 CC(C)Cc1cc(Br)ccc1C(=O)O Amb27981683 [0,1,0,0,0,0|2,0,1]=4 334 B14R1.164 CC(C)Nc1cc(F)ccc1C(=O)O Amb26317251 [0,1,0,0,0,0|2,0,1]=4 335 B14R1.164 CC(C)Nc1cc(N)ccc1C(=O)O Amb27403244 [0,1,0,0,0,0|2,0,1]=4 336 B14R1.164 CC(C)Oc1cc(Br)ccc1C(=O)O Amb9025537 [0,1,0,0,0,0|1,0,1]=3 337 B14R1.164 CC(C)Oc1cc(F)ccc1C(=O)O Amb24500009 [0,1,0,0,0,0|1,0,1]=3 338 B14R1.164 CC(C)Oc1cc(N)ccc1C(N)=O Amb25956863 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.164 CN(C)Cc1cc(F)ccc1C(=O)O Amb27750984 [0,1,0,0,0,0|3,0,0]=4 340 B14R1.164 CN(C)Nc1cc(N)ccc1C(=O)O Amb27958061 [0,1,0,0,0,0|3,0,0]=4 341 B14R1.164 CS(=O)Nc1cc(Br)ccc1C(=O)O Amb28324200 [0,1,0,0,0,0|2,0,0]=3 342 B14R1.164 CS(=O)Nc1cc(Cl)ccc1C(=O)O Amb28144929 [0,1,0,0,0,0|2,0,0]=3 343 B14R1.164 C[C@@H](N)Cc1cc(Br)ccc1C(=O)O Amb28128693 [0,1,0,0,0,0|2,0,1]=4 344 B14R1.164 C[C@@H](N)Cc1cc(N)ccc1C(=O)O Amb28241459 [0,1,0,0,0,0|2,0,1]=4 345 B14R1.164 C[C@@H](N)Cc1cc(O)ccc1C(=O)O Amb27800857 [0,1,0,0,0,0|2,0,1]=4 346 B14R1.164 C[C@H](N)Cc1cc(Br)ccc1C(=O)O Amb28048394 [0,1,0,0,0,0|2,0,1]=4 347 B14R1.164 Cc1cc(OC(C)C)c(C(=O)O)cn1 Amb27851373 [0,1,0,0,0,0|2,0,1]=4 348 B14R1.164 Cc1ccc(C(=O)O)c(CC(=O)O)c1 Amb17190433 [0,1,0,0,0,0|2,0,0]=3 349 B14R1.164 Cc1ccc(C(=O)O)c(CC(C)C)c1 Amb27754454 [0,1,0,0,0,0|2,0,1]=4 350 B14R1.164 Cc1ccc(C(=O)O)c(C[C@@H](C)N)c1 Amb27231427 [0,1,0,0,0,0|2,0,1]=4 351 B14R1.164 Cc1ccc(C(=O)O)c(NC(C)C)c1 Amb18995594 [0,1,0,0,0,0|2,0,1]=4 352 B14R1.164 Cc1ccc(C(=O)O)c(OC(C)C)c1 Amb18977578 [0,1,0,0,0,0|1,0,1]=3 353 B14R1.164 Cc1ccc(C(=O)O)c(OC(F)F)c1 Amb18977579 [0,1,0,0,0,0|2,0,1]=4 354 B14R1.164 Cc1ccc(C(N)=O)c(OC(=O)Cl)c1 Amb33297054 [0,1,0,0,0,0|2,0,0]=3 355 B14R1.164 Cc1ccc([N+](=O)[O-])c(OC(=O)Cl)c1 Amb33297026 [0,1,0,0,0,0|2,0,1]=4 356 B14R1.164 NC(=O)Nc1cc(Cl)ccc1C(=O)O Amb1119142 [0,1,0,0,0,0|2,0,0]=3 357 B14R1.164 O=C(Cl)Oc1cc(Br)ccc1[N+](=O)[O-] Amb33297384 [0,1,0,0,0,0|2,0,1]=4 358 B14R1.164 O=C(Cl)Oc1cc(Cl)ccc1[N+](=O)[O-] Amb33297084 [0,1,0,0,0,0|2,0,1]=4 359 B14R1.164 O=C(Cl)Oc1cc(F)ccc1[N+](=O)[O-] Amb33297007 [0,1,0,0,0,0|2,0,1]=4 360 B14R1.164 O=C(O)CC1=CC(=O)NC=C1C(=O)O Amb18812693 [0,1,0,0,0,0|3,0,0]=4 361 B14R1.164 O=C(O)Cc1cc(Br)ccc1C(=O)O Amb22495493 [0,1,0,0,0,0|2,0,0]=3 362 B14R1.164 O=C(O)Cc1cc(F)ccc1C(=O)O Amb22495676 [0,1,0,0,0,0|2,0,0]=3 363 B14R1.164 O=C(O)Cc1nc(Cl)ccc1C(=O)O Amb28048078 [0,1,0,0,0,0|3,0,0]=4 364 B14R1.164 O=C(O)c1ccc(Br)cc1OC(F)F Amb26392727 [0,1,0,0,0,0|2,0,1]=4 365 B14R1.164 O=C(O)c1ccc(Cl)cc1OC(F)F Amb26839060 [0,1,0,0,0,0|2,0,1]=4 366 B14R1.164 O=C(O)c1ccc(F)cc1OC(F)F Amb20622498 [0,1,0,0,0,0|2,0,1]=4 367 B14R1.429 CC(=O)C(=O)c1ccccc1[N+](=O)[O-] Amb17401697 [0,1,0,0,0,0|2,0,1]=4 368 B14R1.429 CC(=O)C(Br)c1ccccc1C(=O)O Amb27438341 [0,1,0,0,0,0|1,0,0]=2 369 B14R1.429 CC(=O)C(Cl)c1ccccc1B(O)O Amb27199487 [0,1,0,0,0,0|2,0,1]=4 370 B14R1.429 CC(=O)C(Cl)c1ccccc1C(=O)O Amb17477656 [0,1,0,0,0,0|1,0,0]=2 371 B14R1.429 CC(=O)C(N)c1ccccc1[N+](=O)[O-] Amb27759953 [0,1,0,0,0,0|2,0,1]=4 372 B14R1.429 CC(=O)C(N)c1cccnc1C(=O)O Amb27748356 [0,1,0,0,0,0|2,0,0]=3 373 B14R1.429 CC(=O)C(N)c1ccncc1C(=O)O Amb27786355 [0,1,0,0,0,0|2,0,0]=3 374 B14R1.429 CC(=O)C(N)c1ncccc1C(=O)O Amb27391638 [0,1,0,0,0,0|2,0,0]=3 375 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)O Amb1235492 [0,1,0,0,0,0|1,0,0]=2 376 B14R1.429 CC(=O)N(C)c1ccccc1C(N)=O Amb9004011 [0,1,0,0,0,0|2,0,0]=3 377 B14R1.429 CC(=O)N(C)c1ccccc1[N+](=O)[O-] Amb6330843 [0,1,0,0,0,0|2,0,1]=4 378 B14R1.429 CC(=O)N(N)c1ccccc1[N+](=O)[O-] Amb18565626 [0,1,0,0,0,0|2,0,1]=4 379 B14R1.429 CC(=O)c1ccccc1C(C)C(=O)O Amb18651109 [0,1,0,0,0,0|3,0,0]=4 380 B14R1.429 CC(=O)c1ccccc1C(N)C(=O)O Amb27872270 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.429 CC(=O)c1ccccc1C(O)C(=O)Cl Amb28131615 [0,1,0,0,0,0|3,0,0]=4 382 B14R1.429 CC(=O)c1ccccc1C(O)C(=O)O Amb17678765 [0,1,0,0,0,0|3,0,0]=4 383 B14R1.429 CC(=O)c1ccccc1N(C)C(C)=O Amb28071370 [0,1,0,0,0,0|2,0,0]=3 384 B14R1.429 CC(=O)c1ccccc1N(C)C(N)=O Amb27816717 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.429 CC(=O)c1ccccc1[C@@H](N)C(=O)O Amb27878497 [0,1,0,0,0,0|3,0,0]=4 386 B14R1.429 CC(=O)c1ccccc1[C@@H](O)C(=O)O Amb22744775 [0,1,0,0,0,0|3,0,0]=4 387 B14R1.429 CC(=O)c1ccccc1[C@H](N)C(=O)O Amb28137784 [0,1,0,0,0,0|3,0,0]=4 388 B14R1.429 CC(=O)c1ccccc1[C@H](O)C(=O)O Amb16232558 [0,1,0,0,0,0|3,0,0]=4 389 B14R1.429 CC(Br)C(=O)c1ccccc1C(=O)O Amb27615791 [0,1,0,0,0,0|2,0,1]=4 390 B14R1.429 CC(C(=O)O)c1ccccc1C(=O)O Amb18651689 [0,1,0,0,0,0|2,0,0]=3 391 B14R1.429 CC(C)C(=O)c1ccccc1C(=O)O Amb17595033 [0,1,0,0,0,0|2,0,1]=4 392 B14R1.429 CC(C)C(F)c1ccccc1C(=O)O Amb28188762 [0,1,0,0,0,0|2,0,1]=4 393 B14R1.429 CC(C)C(N)c1ccccc1C(=O)O Amb27195622 [0,1,0,0,0,0|2,0,1]=4 394 B14R1.429 CC(C)N(C)c1ccccc1C(=O)O Amb6718020 [0,1,0,0,0,0|2,0,1]=4 395 B14R1.429 CC(C)[C@H](N)c1ccccc1C(=O)O Amb27799651 [0,1,0,0,0,0|2,0,1]=4 396 B14R1.429 CC(O)C(N)c1ccccc1C(=O)O Amb27748358 [0,1,0,0,0,0|1,0,2]=4 397 B14R1.429 CC(O)[C@H](N)c1ccccc1C(=O)O Amb27783865 [0,1,0,0,0,0|1,0,2]=4 398 B14R1.429 CN(C)C(=O)c1ccccc1C(=O)O Amb1131235 [0,1,0,0,0,0|3,0,0]=4 399 B14R1.429 CN(c1ccccc1C(=O)O)S(C)=O Amb27476569 [0,1,0,0,0,0|2,0,0]=3 400 B14R1.429 N=C(C(=O)O)c1ccccc1C(=O)O Amb28342284 [0,1,0,0,0,0|2,0,0]=3 401 B14R1.429 NC(=O)C(=O)c1ccccc1C(=O)O Amb28342285 [0,1,0,0,0,0|2,0,0]=3 402 B14R1.429 NC(C(=O)O)c1ccncc1C(=O)O Amb27759527 [0,1,0,0,0,0|3,0,0]=4 403 B14R1.429 NC(C(=O)O)c1ncccc1C(=O)O Amb28250769 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.429 N[C@@H](C(=O)O)c1cccnc1C(=O)O Amb28291334 [0,1,0,0,0,0|3,0,0]=4 405 B14R1.429 N[C@@H](C(=O)O)c1ccncc1C(=O)O Amb27419442 [0,1,0,0,0,0|3,0,0]=4 406 B14R1.429 N[C@H](C(=O)O)c1ccccc1C(=O)O Amb27607196 [0,1,0,0,0,0|2,0,0]=3 407 B14R1.429 O=C(O)C(=O)c1ccccc1C(=O)O Amb2708847 [0,1,0,0,0,0|2,0,0]=3 408 B14R1.429 O=C(O)C(=O)c1cccnc1C(=O)O Amb22585941 [0,1,0,0,0,0|3,0,0]=4 409 B14R1.744 C=CC(=O)c1ccccc1OC(C)C Amb32954157 [0,1,0,0,0,0|2,0,1]=4 410 B14R1.744 CC(=O)Nc1ccccc1C(=O)CBr Amb17777321 [0,1,0,0,0,0|2,0,0]=3 411 B14R1.744 CC(=O)Nc1ccccc1C(=O)CCl Amb17843143 [0,1,0,0,0,0|2,0,0]=3 412 B14R1.744 CC(=O)Nc1ccccc1C(=O)NN Amb841759 [0,1,0,0,0,0|2,0,0]=3 413 B14R1.744 CC(=O)Nc1ccccc1C(C)CO Amb27849987 [0,1,0,0,0,0|2,0,1]=4 414 B14R1.744 CC(=O)Nc1ccccc1[C@H](N)CO Amb27957068 [0,1,0,0,0,0|2,0,1]=4 415 B14R1.744 CC(=O)Nc1ccccc1\C(N)=N\O Amb19050954 [0,1,0,0,0,0|2,0,0]=3 416 B14R1.744 CC(=O)Nc1cccnc1C(=O)NN Amb27751365 [0,1,0,0,0,0|3,0,0]=4 417 B14R1.744 CC(C)Oc1ccccc1C(=O)CCl Amb33407344 [0,1,0,0,0,0|2,0,1]=4 418 B14R1.744 CC(C)Oc1ccccc1C(=O)CN Amb33359535 [0,1,0,0,0,0|2,0,1]=4 419 B14R1.744 CC(C)Oc1ccccc1C(=O)NN Amb23452441 [0,1,0,0,0,0|2,0,1]=4 420 B14R1.744 CCC(=O)c1ccccc1OC(=O)Cl Amb33297022 [0,1,0,0,0,0|2,0,0]=3 421 B14R1.744 CNC(=O)c1ccccc1CC(=O)O Amb28198727 [0,1,0,0,0,0|3,0,0]=4 422 B14R1.744 CNC(=O)c1ccccc1NC(C)=O Amb4310718 [0,1,0,0,0,0|2,0,0]=3 423 B14R1.744 CNC(=O)c1ccccc1OC(C)C Amb25665401 [0,1,0,0,0,0|2,0,1]=4 424 B14R1.744 COC(=O)c1ccccc1C=C(F)F Amb33733635 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.744 COC(=O)c1ccccc1CC(=N)N Amb33422740 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.744 COC(=O)c1ccccc1CC(=O)O Amb18651690 [0,1,0,0,0,0|2,0,0]=3 427 B14R1.744 COC(=O)c1ccccc1CC(C)=O Amb33422754 [0,1,0,0,0,0|1,0,0]=2 428 B14R1.744 COC(=O)c1ccccc1CC(C)Br Amb33332508 [0,1,0,0,0,0|2,0,1]=4 429 B14R1.744 COC(=O)c1ccccc1CC(C)C Amb33456930 [0,1,0,0,0,0|2,0,1]=4 430 B14R1.744 COC(=O)c1ccccc1CC(C)O Amb32954484 [0,1,0,0,0,0|1,0,2]=4 431 B14R1.744 COC(=O)c1ccccc1CC(N)=S Amb17500269 [0,1,0,0,0,0|2,1,0]=4 432 B14R1.744 COC(=O)c1ccccc1CN(C)C Amb30588537 [0,1,0,0,0,0|3,0,0]=4 433 B14R1.744 COC(=O)c1ccccc1CN(C)O Amb33420153 [0,1,0,0,0,0|2,0,1]=4 434 B14R1.744 COC(=O)c1ccccc1CS(=O)[O-] Amb32754188 [0,1,0,0,0,0|3,0,0]=4 435 B14R1.744 COC(=O)c1ccccc1C[C@@H](C)N Amb33475209 [0,1,0,0,0,0|2,0,1]=4 436 B14R1.744 COC(=O)c1ccccc1C[C@@H](C)O Amb33420907 [0,1,0,0,0,0|1,0,2]=4 437 B14R1.744 COC(=O)c1ccccc1C[C@H](C)N Amb33474454 [0,1,0,0,0,0|2,0,1]=4 438 B14R1.744 COC(=O)c1ccccc1C[C@H](C)O Amb33420909 [0,1,0,0,0,0|1,0,2]=4 439 B14R1.744 COC(=O)c1ccccc1C[N+](=O)[O-] Amb33420361 [0,1,0,0,0,0|3,0,0]=4 440 B14R1.744 COC(=O)c1ccccc1NC(=N)N Amb18565202 [0,1,0,0,0,0|3,0,0]=4 441 B14R1.744 COC(=O)c1ccccc1NC(C)=O Amb6318107 [0,1,0,0,0,0|1,0,0]=2 442 B14R1.744 COC(=O)c1ccccc1NC(C)C Amb841659 [0,1,0,0,0,0|2,0,1]=4 443 B14R1.744 COC(=O)c1ccccc1NC(N)=O Amb9488501 [0,1,0,0,0,0|2,0,0]=3 444 B14R1.744 COC(=O)c1ccccc1NC(N)=S Amb3466122 [0,1,0,0,0,0|2,1,0]=4 445 B14R1.744 COC(=O)c1ccccc1OC(F)F Amb1946242 [0,1,0,0,0,0|2,0,1]=4 446 B14R1.744 COC(=O)c1cccnc1NC(C)=O Amb25712630 [0,1,0,0,0,0|2,0,0]=3 447 B14R1.744 COC(=O)c1cccnc1OC(C)C Amb34911748 [0,1,0,0,0,0|2,0,1]=4 448 B14R1.744 COC(=O)c1ccncc1NC(C)=O Amb5720888 [0,1,0,0,0,0|2,0,0]=3 449 B14R1.744 COC(=O)c1cnccc1NC(C)=O Amb20248237 [0,1,0,0,0,0|2,0,0]=3 450 B14R1.744 COC(=O)c1ncccc1NC(C)=O Amb25165740 [0,1,0,0,0,0|2,0,0]=3 451 B14R1.744 COC(=O)c1nccnc1NC(C)=O Amb25861254 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.744 NCC(=O)c1ccccc1NC(N)=O Amb28129873 [0,1,0,0,0,0|3,0,0]=4 453 B14R1.815 CC(=O)Cc1ccccc1S(C)(=O)=O Amb33056335 [0,1,0,0,0,0|2,0,1]=4 454 B14R1.815 CC(=O)Nc1ccccc1C(C)(C)O Amb24309876 [0,1,0,0,0,0|2,0,1]=4 455 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)Cl Amb18560183 [0,1,0,0,0,0|2,0,1]=4 456 B14R1.815 CC(=O)Oc1ccccc1C(F)(F)F Amb10840591 [0,1,0,0,0,0|2,0,1]=4 457 B14R1.815 O=C(O)Cc1ccccc1P(=O)(O)O Amb27957979 [0,1,0,0,0,0|3,0,0]=4 458 B14R1.815 O=C(O)Cc1ccccc1S(=O)(=O)O Amb28287750 [0,1,0,0,0,0|3,0,0]=4 459 B14R1.3302 C#CC(=O)Nc1ccccc1C(N)=O Amb35713475 [0,1,0,0,0,0|2,0,1]=4 460 B14R1.3302 C#CC(=O)Nc1ccncc1C(=O)O Amb28072044 [0,1,0,0,0,0|2,0,1]=4 461 B14R1.3302 C#CC(C)Nc1ccccc1C(=O)O Amb25042094 [0,1,0,0,0,0|2,0,1]=4 462 B14R1.3302 C#CC(C)Oc1ncccc1C(=O)O Amb28054030 [0,1,0,0,0,0|2,0,1]=4 463 B14R1.3302 C=C(C)c1ccccc1NC(=O)CN Amb27660868 [0,1,0,0,0,0|3,0,0]=4 464 B14R1.3302 C=C(C)c1ccccc1NC(=O)NC Amb27868444 [0,1,0,0,0,0|3,0,0]=4 465 B14R1.3302 C=C(C)c1ccccc1NC(=O)OC Amb28408974 [0,1,0,0,0,0|3,0,0]=4 466 B14R1.3302 C=CC(=O)Nc1ccccc1C(C)=O Amb28367688 [0,1,0,0,0,0|2,0,1]=4 467 B14R1.3302 C=CC(=O)Nc1ccncc1C(=O)O Amb27214508 [0,1,0,0,0,0|2,0,1]=4 468 B14R1.3302 CC(=O)c1ccccc1NC(=O)CBr Amb9799455 [0,1,0,0,0,0|2,0,0]=3 469 B14R1.3302 CC(=O)c1ccccc1NC(=O)CCl Amb1643502 [0,1,0,0,0,0|2,0,0]=3 470 B14R1.3302 CC(=O)c1ccccc1NC(=O)CI Amb28120522 [0,1,0,0,0,0|2,0,0]=3 471 B14R1.3302 CC(=O)c1ccccc1NC(=O)CO Amb1111281 [0,1,0,0,0,0|2,0,0]=3 472 B14R1.3302 CC(=O)c1ccccc1N\C(C)=N/O Amb24562860 [0,1,0,0,0,0|2,0,1]=4 473 B14R1.3302 CC(C#N)Nc1ccccc1C(=O)O Amb27878663 [0,1,0,0,0,0|2,0,1]=4 474 B14R1.3302 CC(C#N)Oc1ccccc1C(=O)O Amb18294776 [0,1,0,0,0,0|1,0,1]=3 475 B14R1.3302 CC(C#N)Oc1cccnc1C(=O)O Amb18981158 [0,1,0,0,0,0|2,0,1]=4 476 B14R1.3302 CC(C)c1ccccc1OC(=O)CN Amb17336655 [0,1,0,0,0,0|2,0,1]=4 477 B14R1.3302 CCC(=O)Cc1ccccc1C(=O)O Amb17477493 [0,1,0,0,0,0|1,0,0]=2 478 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)O Amb1119058 [0,1,0,0,0,0|1,0,0]=2 479 B14R1.3302 CCC(=O)Nc1ccccc1C(C)O Amb9368928 [0,1,0,0,0,0|2,0,1]=4 480 B14R1.3302 CCC(=O)Nc1ccccc1C(N)=O Amb3095239 [0,1,0,0,0,0|2,0,0]=3 481 B14R1.3302 CCC(=O)Oc1ccccc1C(=O)Cl Amb20620189 [0,1,0,0,0,0|1,0,0]=2 482 B14R1.3302 CCC(=O)Oc1ccccc1C(=O)O Amb17595080 [0,1,0,0,0,0|0,0,0]=1 483 B14R1.3302 CCC(C)Oc1ccccc1C(=O)O Amb6740492 [0,1,0,0,0,0|1,0,1]=3 484 B14R1.3302 CCC(Cl)Cc1ccccc1C(=O)O Amb17477466 [0,1,0,0,0,0|2,0,1]=4 485 B14R1.3302 CCC(O)Cc1ccccc1C(=O)O Amb17477452 [0,1,0,0,0,0|1,0,2]=4 486 B14R1.3302 CCS(=O)Nc1ccccc1C(=O)O Amb27433033 [0,1,0,0,0,0|2,0,0]=3 487 B14R1.3302 CCS(=O)Nc1ccncc1C(=O)O Amb27625814 [0,1,0,0,0,0|3,0,0]=4 488 B14R1.3302 CCS(=O)Nc1cnccc1C(=O)O Amb28319343 [0,1,0,0,0,0|3,0,0]=4 489 B14R1.3302 CNC(=O)Cc1ccccc1C(=O)O Amb28409375 [0,1,0,0,0,0|1,0,0]=2 490 B14R1.3302 CNC(=O)Nc1ccccc1B(O)O Amb35736483 [0,1,0,0,0,0|2,0,1]=4 491 B14R1.3302 CNC(=O)Nc1ccccc1C(=N)N Amb28409176 [0,1,0,0,0,0|3,0,0]=4 492 B14R1.3302 CNC(=O)Nc1ccccc1C(C)=O Amb28060195 [0,1,0,0,0,0|2,0,0]=3 493 B14R1.3302 CNC(=O)Nc1ccccc1C(C)O Amb28188991 [0,1,0,0,0,0|2,0,1]=4 494 B14R1.3302 CNC(=O)Oc1ccccc1C(C)C Amb4035264 [0,1,0,0,0,0|2,0,1]=4 495 B14R1.3302 CNC(=O)Oc1ccccc1[N+](=O)[O-] Amb28077086 [0,1,0,0,0,0|1,0,1]=3 496 B14R1.3302 CNC(=S)Nc1ccccc1C(=O)O Amb23129366 [0,1,0,0,0,0|1,1,0]=3 497 B14R1.3302 COC(=O)Cc1ccccc1C(=O)Cl Amb24095908 [0,1,0,0,0,0|2,0,0]=3 498 B14R1.3302 COC(=O)Cc1ccccc1C(=O)O Amb2611251 [0,1,0,0,0,0|1,0,0]=2 499 B14R1.3302 COC(=O)Cc1ccccc1[N+](=O)[O-] Amb19958455 [0,1,0,0,0,0|2,0,1]=4 500 B14R1.3302 COC(=O)Nc1ccccc1C(=N)N Amb28283135 [0,1,0,0,0,0|3,0,0]=4 501 B14R1.3302 COC(=O)Nc1ccccc1C(=O)Cl Amb27872329 [0,1,0,0,0,0|2,0,0]=3 502 B14R1.3302 COC(=O)Nc1ccccc1C(=O)O Amb6343858 [0,1,0,0,0,0|1,0,0]=2 503 B14R1.3302 COC(=O)Nc1ccccc1C(N)=O Amb6491724 [0,1,0,0,0,0|2,0,0]=3 504 B14R1.3302 COC(=O)Nc1ccccc1[N+](=O)[O-] Amb17882805 [0,1,0,0,0,0|2,0,1]=4 505 B14R1.3302 COC(=O)Nc1cnccc1C(=O)O Amb27655293 [0,1,0,0,0,0|2,0,0]=3 506 B14R1.3302 COC(=O)Nc1nccnc1C(=O)O Amb28314653 [0,1,0,0,0,0|3,0,0]=4 507 B14R1.3302 COC(=O)Oc1ccccc1C(=O)O Amb4017583 [0,1,0,0,0,0|0,0,0]=1 508 B14R1.3302 CO\C(C)=N\c1ccccc1C(=O)O Amb27191776 [0,1,0,0,0,0|1,0,1]=3 509 B14R1.3302 C\C(=N\O)Oc1ccccc1C(=O)O Amb27788510 [0,1,0,0,0,0|0,0,1]=2 510 B14R1.3302 C\C(=N\c1ccccc1C(=O)O)NO Amb24518531 [0,1,0,0,0,0|1,0,1]=3 511 B14R1.3302 C\C(Cc1ccccc1C(=O)O)=N\O Amb27843419 [0,1,0,0,0,0|1,0,1]=3 512 B14R1.3302 NC(=O)c1ccccc1NC(=O)CBr Amb27247678 [0,1,0,0,0,0|2,0,0]=3 513 B14R1.3302 NC(=O)c1ccccc1NC(=O)CCl Amb6367464 [0,1,0,0,0,0|2,0,0]=3 514 B14R1.3302 NC(=O)c1ccccc1NC(=O)CI Amb28133941 [0,1,0,0,0,0|2,0,0]=3 515 B14R1.3302 NC(=O)c1ccccc1NC(=O)CO Amb5798049 [0,1,0,0,0,0|2,0,0]=3 516 B14R1.3302 NC(=O)c1ccccc1OC(=O)CCl Amb5716061 [0,1,0,0,0,0|1,0,0]=2 517 B14R1.3302 NCC(=O)Nc1ccccc1C(N)=O Amb33804121 [0,1,0,0,0,0|2,0,0]=3 518 B14R1.3302 NCC(=O)Nc1ccccc1C(N)=O Amb5783097 [0,1,0,0,0,0|2,0,0]=3 519 B14R1.3302 NCC(=O)Nc1ccccc1[N+](=O)[O-] Amb9215729 [0,1,0,0,0,0|2,0,1]=4 520 B14R1.3302 NNC(=O)Nc1ccccc1C(=O)O Amb28385575 [0,1,0,0,0,0|2,0,0]=3 521 B14R1.3302 O=C(CCl)Cc1ccccc1[N+](=O)[O-] Amb20673430 [0,1,0,0,0,0|2,0,1]=4 522 B14R1.3302 O=C(CCl)Nc1ccccc1C(=O)O Amb6377873 [0,1,0,0,0,0|1,0,0]=2 523 B14R1.3302 O=C(CCl)Nc1ccccc1[N+](=O)[O-] Amb6365579 [0,1,0,0,0,0|2,0,1]=4 524 B14R1.3302 O=C(CCl)Nc1cnccc1C(=O)O Amb28120591 [0,1,0,0,0,0|2,0,0]=3 525 B14R1.3302 O=C(CF)Oc1ccccc1C(=O)O Amb17595238 [0,1,0,0,0,0|0,0,0]=1 526 B14R1.3302 O=C(CO)Nc1ccccc1C(=O)O Amb5798042 [0,1,0,0,0,0|1,0,0]=2 527 B14R1.3302 O=C(CO)Nc1ccccc1[N+](=O)[O-] Amb5798061 [0,1,0,0,0,0|2,0,1]=4 528 B14R1.4894 CC(=O)Cc1c(Br)cccc1C(=O)Cl Amb24679186 [0,1,0,0,0,0|2,0,0]=3 529 B14R1.4894 CC(=O)Cc1c(Br)cccc1C(=O)O Amb25942473 [0,1,0,0,0,0|1,0,0]=2 530 B14R1.4894 CC(=O)Cc1c(Br)cccc1[N+](=O)[O-] Amb27172398 [0,1,0,0,0,0|2,0,1]=4 531 B14R1.4894 CC(=O)Cc1c(C)cccc1B(O)O Amb28385130 [0,1,0,0,0,0|2,0,1]=4 532 B14R1.4894 CC(=O)Cc1c(C)cccc1C(=O)O Amb27423670 [0,1,0,0,0,0|1,0,0]=2 533 B14R1.4894 CC(=O)Cc1c(C)cccc1[N+](=O)[O-] Amb24416805 [0,1,0,0,0,0|2,0,1]=4 534 B14R1.4894 CC(=O)Cc1c(Cl)cccc1C(=O)O Amb27462310 [0,1,0,0,0,0|1,0,0]=2 535 B14R1.4894 CC(=O)Cc1c(F)cccc1[N+](=O)[O-] Amb27783791 [0,1,0,0,0,0|2,0,1]=4 536 B14R1.4894 CC(=O)Cc1c(I)cccc1[N+](=O)[O-] Amb27462242 [0,1,0,0,0,0|2,0,1]=4 537 B14R1.4894 CC(=O)Cc1c(N)cccc1C(=O)Cl Amb28368710 [0,1,0,0,0,0|2,0,0]=3 538 B14R1.4894 CC(=O)Cc1c(N)cccc1C(=O)O Amb27966292 [0,1,0,0,0,0|1,0,0]=2 539 B14R1.4894 CC(=O)Cc1c(O)cccc1B(O)O Amb28130576 [0,1,0,0,0,0|2,0,1]=4 540 B14R1.4894 CC(=O)Cc1c(S)cccc1B(O)O Amb27423532 [0,1,0,0,0,0|2,0,1]=4 541 B14R1.4894 CC(=O)Cc1c(S)cccc1C(=O)O Amb27811079 [0,1,0,0,0,0|1,0,0]=2 542 B14R1.4894 CC(=O)Nc1c(Br)cccc1[N+](=O)[O-] Amb2610395 [0,1,0,0,0,0|2,0,1]=4 543 B14R1.4894 CC(=O)Nc1c(C)cccc1C(=O)O Amb501599 [0,1,0,0,0,0|1,0,0]=2 544 B14R1.4894 CC(=O)Nc1c(C)cccc1C(N)=O Amb28323241 [0,1,0,0,0,0|2,0,0]=3 545 B14R1.4894 CC(=O)Nc1c(C)cccc1N(=O)=O Amb8394516 [0,1,0,0,0,0|2,0,1]=4 546 B14R1.4894 CC(=O)Nc1c(C)cccc1[N+](=O)[O-] Amb1021869 [0,1,0,0,0,0|2,0,1]=4 547 B14R1.4894 CC(=O)Nc1c(Cl)cccc1C(=O)Cl Amb28400137 [0,1,0,0,0,0|2,0,0]=3 548 B14R1.4894 CC(=O)Nc1c(Cl)cccc1C(=O)O Amb11184838 [0,1,0,0,0,0|1,0,0]=2 549 B14R1.4894 CC(=O)Nc1c(Cl)cccc1[N+](=O)[O-] Amb2616508 [0,1,0,0,0,0|2,0,1]=4 550 B14R1.4894 CC(=O)Nc1c(F)cccc1C(=O)O Amb10842045 [0,1,0,0,0,0|1,0,0]=2 551 B14R1.4894 CC(=O)Nc1c(F)cccc1N(=O)=O Amb8394509 [0,1,0,0,0,0|2,0,1]=4 552 B14R1.4894 CC(=O)Nc1c(I)cccc1C(=O)O Amb27181759 [0,1,0,0,0,0|1,0,0]=2 553 B14R1.4894 CC(=O)Nc1c(O)cccc1C(N)=O Amb27184541 [0,1,0,0,0,0|2,0,0]=3 554 B14R1.4894 CC(=O)Oc1c(C)cccc1C(=O)Cl Amb10789017 [0,1,0,0,0,0|1,0,0]=2 555 B14R1.4894 CC(=O)Oc1c(C)cccc1C(=O)O Amb845535 [0,1,0,0,0,0|0,0,0]=1 556 B14R1.4894 CC(=O)Oc1c(C)cccc1C(N)=O Amb10789016 [0,1,0,0,0,0|1,0,0]=2 557 B14R1.4894 CC(=O)c1cccc(C)c1OC(C)C Amb17235421 [0,1,0,0,0,0|2,0,1]=4 558 B14R1.4894 CC(=O)c1cccc(Cl)c1OC(C)C Amb17241270 [0,1,0,0,0,0|2,0,1]=4 559 B14R1.4894 CC(=O)c1cccc(F)c1OC(C)C Amb28246300 [0,1,0,0,0,0|2,0,1]=4 560 B14R1.4894 CC(C)Nc1c(Br)cccc1C(=O)O Amb27241291 [0,1,0,0,0,0|2,0,1]=4 561 B14R1.4894 CC(C)Nc1c(N)cccc1C(=O)O Amb27211640 [0,1,0,0,0,0|2,0,1]=4 562 B14R1.4894 CC(C)Oc1c(Br)cccc1C(=O)O Amb27628651 [0,1,0,0,0,0|1,0,1]=3 563 B14R1.4894 CC(C)Oc1c(Cl)cccc1C(=O)O Amb27388207 [0,1,0,0,0,0|1,0,1]=3 564 B14R1.4894 CC(C)Oc1c(F)cccc1C(=O)O Amb18994273 [0,1,0,0,0,0|1,0,1]=3 565 B14R1.4894 CC(C)Oc1c(N)cccc1C(=O)O Amb24646907 [0,1,0,0,0,0|1,0,1]=3 566 B14R1.4894 CC(C)Oc1c(N)cccc1C(=O)O Amb28653412 [0,1,0,0,0,0|1,0,1]=3 567 B14R1.4894 CC(C)Oc1c(N)cccc1C(N)=O Amb26623746 [0,1,0,0,0,0|2,0,1]=4 568 B14R1.4894 CC(C)Oc1c(O)cccc1C(=O)O Amb27479153 [0,1,0,0,0,0|1,0,1]=3 569 B14R1.4894 CC(N)Cc1c(I)cccc1C(=O)O Amb28289496 [0,1,0,0,0,0|2,0,1]=4 570 B14R1.4894 CC(N)Cc1c(N)cccc1C(=O)O Amb27237016 [0,1,0,0,0,0|2,0,1]=4 571 B14R1.4894 CS(=O)Nc1c(Br)cccc1C(=O)O Amb28195253 [0,1,0,0,0,0|2,0,0]=3 572 B14R1.4894 CS(=O)Nc1c(Cl)cccc1C(=O)O Amb27471142 [0,1,0,0,0,0|2,0,0]=3 573 B14R1.4894 C[C@@H](N)Cc1c(F)cccc1C(=O)O Amb27252935 [0,1,0,0,0,0|2,0,1]=4 574 B14R1.4894 C[C@@H](N)Cc1c(I)cccc1C(=O)O Amb27764172 [0,1,0,0,0,0|2,0,1]=4 575 B14R1.4894 C[C@H](N)Cc1c(Cl)cccc1C(=O)O Amb28124667 [0,1,0,0,0,0|2,0,1]=4 576 B14R1.4894 Cc1cccc(C(=O)O)c1CC(=O)O Amb17470871 [0,1,0,0,0,0|2,0,0]=3 577 B14R1.4894 Cc1cccc(C(=O)O)c1CC(C)C Amb27863545 [0,1,0,0,0,0|2,0,1]=4 578 B14R1.4894 Cc1cccc(C(=O)O)c1NC(N)=O Amb1119949 [0,1,0,0,0,0|2,0,0]=3 579 B14R1.4894 Cc1cccc(C(=O)O)c1OC(F)F Amb18289537 [0,1,0,0,0,0|2,0,1]=4 580 B14R1.4894 Cc1cccc(C(N)=O)c1OC(C)C Amb27386761 [0,1,0,0,0,0|2,0,1]=4 581 B14R1.4894 Cc1nccc(C(=O)O)c1OC(C)C Amb32671528 [0,1,0,0,0,0|2,0,1]=4 582 B14R1.4894 NC(=O)Nc1c(Br)cccc1C(=O)O Amb28064355 [0,1,0,0,0,0|2,0,0]=3 583 B14R1.4894 O=C(Cl)Oc1c(Br)cccc1[N+](=O)[O-] Amb33297369 [0,1,0,0,0,0|2,0,1]=4 584 B14R1.4894 O=C(Cl)Oc1c(Cl)cccc1[N+](=O)[O-] Amb33297391 [0,1,0,0,0,0|2,0,1]=4 585 B14R1.4894 O=C(Cl)Oc1c(F)cccc1[N+](=O)[O-] Amb33297363 [0,1,0,0,0,0|2,0,1]=4 586 B14R1.4894 O=C(O)Cc1c(Cl)cccc1C(=O)O Amb17471506 [0,1,0,0,0,0|2,0,0]=3 587 B14R1.4894 O=C(O)Cc1c(F)cccc1C(=O)O Amb17470969 [0,1,0,0,0,0|2,0,0]=3 588 B14R1.4894 O=C(O)Cc1c(I)cccc1C(=O)O Amb25723792 [0,1,0,0,0,0|2,0,0]=3 589 B14R1.4894 O=C(O)Cc1c(O)cccc1C(=O)O Amb25301811 [0,1,0,0,0,0|2,0,0]=3 590 B14R1.4894 O=C(O)Cc1c(S)cccc1C(=O)O Amb26378068 [0,1,0,0,0,0|2,0,0]=3 591 B14R1.4894 O=C(O)c1cccc(Br)c1OC(F)F Amb27828405 [0,1,0,0,0,0|2,0,1]=4 592 B14R1.4926 CC(=O)Cc1cccc(Br)c1C(=O)O Amb26917220 [0,1,0,0,0,0|1,0,0]=2 593 B14R1.4926 CC(=O)Cc1cccc(C)c1C(=O)O Amb27423669 [0,1,0,0,0,0|1,0,0]=2 594 B14R1.4926 CC(=O)Cc1cccc(C)c1[N+](=O)[O-] Amb24405431 [0,1,0,0,0,0|2,0,1]=4 595 B14R1.4926 CC(=O)Cc1cccc(Cl)c1B(O)O Amb27428069 [0,1,0,0,0,0|2,0,1]=4 596 B14R1.4926 CC(=O)Cc1cccc(F)c1B(O)O Amb27647075 [0,1,0,0,0,0|2,0,1]=4 597 B14R1.4926 CC(=O)Cc1cccc(N)c1C(=O)Cl Amb27192560 [0,1,0,0,0,0|2,0,0]=3 598 B14R1.4926 CC(=O)Cc1cccc(O)c1B(O)O Amb27423644 [0,1,0,0,0,0|2,0,1]=4 599 B14R1.4926 CC(=O)Cc1cccc(O)c1C(=O)O Amb23590101 [0,1,0,0,0,0|1,0,0]=2 600 B14R1.4926 CC(=O)Cc1cccc(O)c1C(C)=O Amb27750409 [0,1,0,0,0,0|2,0,0]=3 601 B14R1.4926 CC(=O)Cc1cccc(O)c1[N+](=O)[O-] Amb28388980 [0,1,0,0,0,0|2,0,1]=4 602 B14R1.4926 CC(=O)Cc1cccc(S)c1C(=O)O Amb27423612 [0,1,0,0,0,0|1,0,0]=2 603 B14R1.4926 CC(=O)Nc1cccc(Br)c1[N+](=O)[O-] Amb16185695 [0,1,0,0,0,0|2,0,1]=4 604 B14R1.4926 CC(=O)Nc1cccc(C)c1C(=O)O Amb2731272 [0,1,0,0,0,0|1,0,0]=2 605 B14R1.4926 CC(=O)Nc1cccc(C)c1[N+](=O)[O-] Amb24309028 [0,1,0,0,0,0|2,0,1]=4 606 B14R1.4926 CC(=O)Nc1cccc(Cl)c1C(=O)O Amb1039018 [0,1,0,0,0,0|1,0,0]=2 607 B14R1.4926 CC(=O)Nc1cccc(F)c1C(=O)O Amb2728721 [0,1,0,0,0,0|1,0,0]=2 608 B14R1.4926 CC(=O)Nc1cccc(N)c1C(C)=O Amb27643422 [0,1,0,0,0,0|2,0,0]=3 609 B14R1.4926 CC(=O)Nc1cccc(O)c1[N+](=O)[O-] Amb27869556 [0,1,0,0,0,0|2,0,1]=4 610 B14R1.4926 CC(=O)Oc1cccc(C)c1C(=O)O Amb16230567 [0,1,0,0,0,0|0,0,0]=1 611 B14R1.4926 CC(=O)Oc1cccc(F)c1C(=O)O Amb27407033 [0,1,0,0,0,0|0,0,0]=1 612 B14R1.4926 CC(=O)Oc1cccc(F)c1C(C)=O Amb27876807 [0,1,0,0,0,0|1,0,0]=2 613 B14R1.4926 CC(=O)Oc1cccc(O)c1C(=O)O Amb25362276 [0,1,0,0,0,0|0,0,0]=1 614 B14R1.4926 CC(=O)Oc1cccc(O)c1[N+](=O)[O-] Amb3429093 [0,1,0,0,0,0|1,0,1]=3 615 B14R1.4926 CC(C)Nc1cccc(F)c1C(=O)O Amb18565909 [0,1,0,0,0,0|2,0,1]=4 616 B14R1.4926 CC(C)Oc1cccc(Br)c1C(N)=O Amb28139569 [0,1,0,0,0,0|2,0,1]=4 617 B14R1.4926 CC(C)Oc1cccc(N)c1C(=O)O Amb27244447 [0,1,0,0,0,0|1,0,1]=3 618 B14R1.4926 CC(C)Oc1cccc(N)c1C(N)=O Amb18651897 [0,1,0,0,0,0|2,0,1]=4 619 B14R1.4926 CC(C)Oc1cccc(O)c1C(=O)O Amb27650981 [0,1,0,0,0,0|1,0,1]=3 620 B14R1.4926 CC(C)Sc1cccc(Cl)c1C(=O)O Amb24745339 [0,1,0,0,0,0|1,1,1]=4 621 B14R1.4926 CC(N)Cc1cccc(F)c1C(=O)O Amb27873404 [0,1,0,0,0,0|2,0,1]=4 622 B14R1.4926 CC(N)Cc1cccc(O)c1C(=O)O Amb27628458 [0,1,0,0,0,0|2,0,1]=4 623 B14R1.4926 CN(C)Nc1cccc(Cl)c1C(=O)O Amb28255259 [0,1,0,0,0,0|3,0,0]=4 624 B14R1.4926 CN(C)Nc1cccc(F)c1C(=O)O Amb28383594 [0,1,0,0,0,0|3,0,0]=4 625 B14R1.4926 C[C@@H](N)Cc1cccc(O)c1C(=O)O Amb28292824 [0,1,0,0,0,0|2,0,1]=4 626 B14R1.4926 C[C@H](N)Cc1cccc(O)c1C(=O)O Amb27807529 [0,1,0,0,0,0|2,0,1]=4 627 B14R1.4926 Cc1cccc(CC(=O)O)c1C(O)=S Amb24471380 [0,1,0,0,0,0|2,1,0]=4 628 B14R1.4926 Cc1cccc(OC(=O)Cl)c1[N+](=O)[O-] Amb33297046 [0,1,0,0,0,0|2,0,1]=4 629 B14R1.4926 Cc1cccc(OC(C)C)c1C(=O)O Amb28384812 [0,1,0,0,0,0|1,0,1]=3 630 B14R1.4926 NC(=O)Nc1cccc(F)c1C(=O)O Amb9301999 [0,1,0,0,0,0|2,0,0]=3 631 B14R1.4926 Nc1cccc(CC(=O)O)c1C(=O)O Amb24360682 [0,1,0,0,0,0|2,0,0]=3 632 B14R1.4926 Nc1cccc(OC(F)F)c1C(=O)O Amb27824279 [0,1,0,0,0,0|2,0,1]=4 633 B14R1.4926 O=C(Cl)Oc1cccc(F)c1[N+](=O)[O-] Amb33297225 [0,1,0,0,0,0|2,0,1]=4 634 B14R1.4926 O=C(O)CC1=C(C(=O)O)C(=O)NC=C1 Amb18812694 [0,1,0,0,0,0|3,0,0]=4 635 B14R1.4926 O=C(O)Cc1cccc(Br)c1C(=O)O Amb24591241 [0,1,0,0,0,0|2,0,0]=3 636 B14R1.4926 O=C(O)Cc1cccc(Cl)c1C(=O)O Amb27799891 [0,1,0,0,0,0|2,0,0]=3 637 B14R1.4926 O=C(O)Cc1cccc(F)c1C(=O)O Amb27472036 [0,1,0,0,0,0|2,0,0]=3 638 B14R1.4926 O=C(O)Nc1cccc(F)c1C(=O)O Amb24101206 [0,1,0,0,0,0|2,0,0]=3 639 B14R1.4926 O=C(O)c1c(Br)cccc1OC(F)F Amb33329276 [0,1,0,0,0,0|2,0,1]=4 640 B14R1.4926 O=C(O)c1c(Cl)cccc1OC(F)F Amb25885891 [0,1,0,0,0,0|2,0,1]=4 641 B14R1.4926 O=C(O)c1c(F)cccc1OC(F)F Amb25355522 [0,1,0,0,0,0|2,0,1]=4 642 B14R1.4926 O=C(O)c1c(O)cccc1OC(F)F Amb22898830 [0,1,0,0,0,0|2,0,1]=4 643 B14R1.6074 CC(=O)Cc1ccc(Br)cc1B(O)O Amb28436479 [0,1,0,0,0,0|2,0,1]=4 644 B14R1.6074 CC(=O)Cc1ccc(Br)cc1C(=O)Cl Amb27844367 [0,1,0,0,0,0|2,0,0]=3 645 B14R1.6074 CC(=O)Cc1ccc(Br)cc1C(=O)O Amb27215546 [0,1,0,0,0,0|1,0,0]=2 646 B14R1.6074 CC(=O)Cc1ccc(Br)cc1[N+](=O)[O-] Amb22001439 [0,1,0,0,0,0|2,0,1]=4 647 B14R1.6074 CC(=O)Cc1ccc(C)cc1[N+](=O)[O-] Amb19516331 [0,1,0,0,0,0|2,0,1]=4 648 B14R1.6074 CC(=O)Cc1ccc(Cl)cc1B(O)O Amb27967563 [0,1,0,0,0,0|2,0,1]=4 649 B14R1.6074 CC(=O)Cc1ccc(Cl)cc1C(=O)O Amb27957867 [0,1,0,0,0,0|1,0,0]=2 650 B14R1.6074 CC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] Amb19516329 [0,1,0,0,0,0|2,0,1]=4 651 B14R1.6074 CC(=O)Cc1ccc(F)cc1[N+](=O)[O-] Amb27590748 [0,1,0,0,0,0|2,0,1]=4 652 B14R1.6074 CC(=O)Cc1ccc(I)cc1C(=O)O Amb28284208 [0,1,0,0,0,0|1,0,0]=2 653 B14R1.6074 CC(=O)Cc1ccc(I)cc1[N+](=O)[O-] Amb27195498 [0,1,0,0,0,0|2,0,1]=4 654 B14R1.6074 CC(=O)Cc1ccc(N)cc1C(=O)O Amb27639010 [0,1,0,0,0,0|1,0,0]=2 655 B14R1.6074 CC(=O)Cc1ccc(O)cc1B(O)O Amb27423645 [0,1,0,0,0,0|2,0,1]=4 656 B14R1.6074 CC(=O)Cc1ccc(O)cc1[N+](=O)[O-] Amb27622854 [0,1,0,0,0,0|2,0,1]=4 657 B14R1.6074 CC(=O)Nc1ccc(Br)cc1C(=O)O Amb841600 [0,1,0,0,0,0|1,0,0]=2 658 B14R1.6074 CC(=O)Nc1ccc(Br)cc1C(C)=O Amb4417671 [0,1,0,0,0,0|2,0,0]=3 659 B14R1.6074 CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] Amb2389867 [0,1,0,0,0,0|2,0,1]=4 660 B14R1.6074 CC(=O)Nc1ccc(C)cc1B(O)O Amb29863397 [0,1,0,0,0,0|2,0,1]=4 661 B14R1.6074 CC(=O)Nc1ccc(C)cc1C(=O)O Amb6273352 [0,1,0,0,0,0|1,0,0]=2 662 B14R1.6074 CC(=O)Nc1ccc(C)cc1C(C)=O Amb28239510 [0,1,0,0,0,0|2,0,0]=3 663 B14R1.6074 CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] Amb2222031 [0,1,0,0,0,0|2,0,1]=4 664 B14R1.6074 CC(=O)Nc1ccc(Cl)cc1B(O)O Amb19959759 [0,1,0,0,0,0|2,0,1]=4 665 B14R1.6074 CC(=O)Nc1ccc(Cl)cc1C(=O)O Amb1042259 [0,1,0,0,0,0|1,0,0]=2 666 B14R1.6074 CC(=O)Nc1ccc(Cl)cc1C(C)=O Amb27869548 [0,1,0,0,0,0|2,0,0]=3 667 B14R1.6074 CC(=O)Nc1ccc(Cl)cc1C(N)=O Amb25326105 [0,1,0,0,0,0|2,0,0]=3 668 B14R1.6074 CC(=O)Nc1ccc(Cl)cc1C(N)=S Amb35621057 [0,1,0,0,0,0|2,1,0]=4 669 B14R1.6074 CC(=O)Nc1ccc(Cl)cc1N(=O)=O Amb2708498 [0,1,0,0,0,0|2,0,1]=4 670 B14R1.6074 CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] Amb2389868 [0,1,0,0,0,0|2,0,1]=4 671 B14R1.6074 CC(=O)Nc1ccc(F)cc1B(O)O Amb35716208 [0,1,0,0,0,0|2,0,1]=4 672 B14R1.6074 CC(=O)Nc1ccc(F)cc1C(=O)O Amb2684198 [0,1,0,0,0,0|1,0,0]=2 673 B14R1.6074 CC(=O)Nc1ccc(F)cc1C(C)=O Amb27257919 [0,1,0,0,0,0|2,0,0]=3 674 B14R1.6074 CC(=O)Nc1ccc(F)cc1C(N)=S Amb28239283 [0,1,0,0,0,0|2,1,0]=4 675 B14R1.6074 CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] Amb6355400 [0,1,0,0,0,0|2,0,1]=4 676 B14R1.6074 CC(=O)Nc1ccc(N)cc1C(N)=O Amb29845493 [0,1,0,0,0,0|2,0,0]=3 677 B14R1.6074 CC(=O)Nc1ccc(N)cc1[N+](=O)[O-] Amb3987095 [0,1,0,0,0,0|2,0,1]=4 678 B14R1.6074 CC(=O)Nc1ccc(O)cc1C(=O)O Amb5797408 [0,1,0,0,0,0|1,0,0]=2 679 B14R1.6074 CC(=O)Nc1cnc(Cl)cc1C(N)=O Amb22751265 [0,1,0,0,0,0|3,0,0]=4 680 B14R1.6074 CC(=O)Nc1ncc(C)cc1C(=O)O Amb24607311 [0,1,0,0,0,0|2,0,0]=3 681 B14R1.6074 CC(=O)Nc1ncc(C)cc1C(C)=O Amb28251069 [0,1,0,0,0,0|3,0,0]=4 682 B14R1.6074 CC(=O)Nc1ncc(F)cc1C(C)=O Amb27417566 [0,1,0,0,0,0|3,0,0]=4 683 B14R1.6074 CC(=O)Oc1ccc(Br)cc1C(=O)Cl Amb28205504 [0,1,0,0,0,0|1,0,0]=2 684 B14R1.6074 CC(=O)Oc1ccc(Br)cc1C(N)=O Amb28398119 [0,1,0,0,0,0|1,0,0]=2 685 B14R1.6074 CC(=O)Oc1ccc(C)cc1C(=O)O Amb9147585 [0,1,0,0,0,0|0,0,0]=1 686 B14R1.6074 CC(=O)Oc1ccc(Cl)cc1C(=O)O Amb2750423 [0,1,0,0,0,0|0,0,0]=1 687 B14R1.6074 CC(=O)Oc1ccc(Cl)cc1C(F)F Amb33804065 [0,1,0,0,0,0|2,0,1]=4 688 B14R1.6074 CC(=O)Oc1ccc(F)cc1C(C)=O Amb28348714 [0,1,0,0,0,0|1,0,0]=2 689 B14R1.6074 CC(=O)Oc1ccc(I)cc1C(=O)O Amb27263732 [0,1,0,0,0,0|0,0,0]=1 690 B14R1.6074 CC(=O)Oc1ccc(O)cc1C(=O)O Amb27444679 [0,1,0,0,0,0|0,0,0]=1 691 B14R1.6074 CC(=O)Oc1ccc(O)cc1C(C)=O Amb27612667 [0,1,0,0,0,0|1,0,0]=2 692 B14R1.6074 CC(=O)c1cc(Br)ccc1OC(=O)Cl Amb33297008 [0,1,0,0,0,0|2,0,0]=3 693 B14R1.6074 CC(=O)c1cc(Br)ccc1OC(C)C Amb28381598 [0,1,0,0,0,0|2,0,1]=4 694 B14R1.6074 CC(=O)c1cc(C)ccc1OC(=O)Cl Amb33297019 [0,1,0,0,0,0|2,0,0]=3 695 B14R1.6074 CC(=O)c1cc(Cl)ccc1CC(=O)O Amb18657379 [0,1,0,0,0,0|3,0,0]=4 696 B14R1.6074 CC(=O)c1cc(Cl)ccc1OC(=O)Cl Amb33296814 [0,1,0,0,0,0|2,0,0]=3 697 B14R1.6074 CC(=O)c1cc(F)ccc1OC(=O)Cl Amb33297012 [0,1,0,0,0,0|2,0,0]=3 698 B14R1.6074 CC(=O)c1cc(F)ccc1OC(C)C Amb6681655 [0,1,0,0,0,0|2,0,1]=4 699 B14R1.6074 CC(=O)c1cc(I)ccc1CC(=O)O Amb24499382 [0,1,0,0,0,0|3,0,0]=4 700 B14R1.6074 CC(=O)c1cc(N)ccc1CC(=O)O Amb26378322 [0,1,0,0,0,0|3,0,0]=4 701 B14R1.6074 CC(=O)c1cc(O)ccc1CC(=O)O Amb26394804 [0,1,0,0,0,0|3,0,0]=4 702 B14R1.6074 CC(=O)c1cc(O)ccc1OC(C)C Amb28320363 [0,1,0,0,0,0|2,0,1]=4 703 B14R1.6074 CC(C)Cc1ccc(F)cc1C(=O)O Amb27448934 [0,1,0,0,0,0|2,0,1]=4 704 B14R1.6074 CC(C)Nc1ccc(Br)cc1C(=O)O Amb2787656 [0,1,0,0,0,0|2,0,1]=4 705 B14R1.6074 CC(C)Nc1ccc(F)cc1C(=O)O Amb18565915 [0,1,0,0,0,0|2,0,1]=4 706 B14R1.6074 CC(C)Nc1ccc(I)cc1C(=O)O Amb27455830 [0,1,0,0,0,0|2,0,1]=4 707 B14R1.6074 CC(C)Oc1ccc(Br)cc1C(=O)Cl Amb16230208 [0,1,0,0,0,0|2,0,1]=4 708 B14R1.6074 CC(C)Oc1ccc(Br)cc1C(=O)O Amb6541554 [0,1,0,0,0,0|1,0,1]=3 709 B14R1.6074 CC(C)Oc1ccc(Br)cc1C(N)=O Amb2007682 [0,1,0,0,0,0|2,0,1]=4 710 B14R1.6074 CC(C)Oc1ccc(Br)nc1C(=O)O Amb23541705 [0,1,0,0,0,0|2,0,1]=4 711 B14R1.6074 CC(C)Oc1ccc(Cl)cc1C(=O)O Amb3993844 [0,1,0,0,0,0|1,0,1]=3 712 B14R1.6074 CC(C)Oc1ccc(Cl)cc1C(N)=O Amb11255790 [0,1,0,0,0,0|2,0,1]=4 713 B14R1.6074 CC(C)Oc1ccc(Cl)nc1C(=O)O Amb33620608 [0,1,0,0,0,0|2,0,1]=4 714 B14R1.6074 CC(C)Oc1ccc(F)cc1C(=O)O Amb8945816 [0,1,0,0,0,0|1,0,1]=3 715 B14R1.6074 CC(C)Oc1ccc(N)cc1C(=O)O Amb8963304 [0,1,0,0,0,0|1,0,1]=3 716 B14R1.6074 CC(C)Oc1ccc(N)cc1C(N)=O Amb9860791 [0,1,0,0,0,0|2,0,1]=4 717 B14R1.6074 CC(C)Oc1ccc(O)cc1C(=O)O Amb27417563 [0,1,0,0,0,0|1,0,1]=3 718 B14R1.6074 CC(C)Oc1ccc(O)cc1C(N)=O Amb28068999 [0,1,0,0,0,0|2,0,1]=4 719 B14R1.6074 CC(C)Oc1ncc(Br)cc1C(=O)O Amb24124888 [0,1,0,0,0,0|2,0,1]=4 720 B14R1.6074 CC(C)Oc1ncc(Cl)cc1C(=O)O Amb27754077 [0,1,0,0,0,0|2,0,1]=4 721 B14R1.6074 CC(C)Oc1ncc(F)cc1C(=O)O Amb27753322 [0,1,0,0,0,0|2,0,1]=4 722 B14R1.6074 CC(C)Sc1ccc(Br)cc1C(=O)O Amb27964143 [0,1,0,0,0,0|1,1,1]=4 723 B14R1.6074 CC(C)Sc1ccc(F)cc1C(=O)O Amb27452798 [0,1,0,0,0,0|1,1,1]=4 724 B14R1.6074 CC(N)Cc1ccc(Br)cc1C(=O)O Amb27796860 [0,1,0,0,0,0|2,0,1]=4 725 B14R1.6074 CC(N)Cc1ccc(I)cc1C(=O)O Amb27387909 [0,1,0,0,0,0|2,0,1]=4 726 B14R1.6074 CC(N)Cc1ccc(O)cc1C(=O)O Amb27864002 [0,1,0,0,0,0|2,0,1]=4 727 B14R1.6074 CN(C)Nc1ccc(F)cc1C(=O)O Amb28145656 [0,1,0,0,0,0|3,0,0]=4 728 B14R1.6074 CS(=O)Nc1ccc(Cl)cc1C(=O)O Amb28200787 [0,1,0,0,0,0|2,0,0]=3 729 B14R1.6074 CS(=O)Nc1ccc(I)cc1C(=O)O Amb28254402 [0,1,0,0,0,0|2,0,0]=3 730 B14R1.6074 C[C@@H](N)Cc1ccc(F)cc1C(=O)O Amb27640051 [0,1,0,0,0,0|2,0,1]=4 731 B14R1.6074 C[C@@H](N)Cc1ccc(O)cc1C(=O)O Amb28282582 [0,1,0,0,0,0|2,0,1]=4 732 B14R1.6074 C[C@H](N)Cc1ccc(I)cc1C(=O)O Amb27194429 [0,1,0,0,0,0|2,0,1]=4 733 B14R1.6074 C[C@H](N)Cc1ccc(N)cc1C(=O)O Amb27587903 [0,1,0,0,0,0|2,0,1]=4 734 B14R1.6074 Cc1ccc(CC(=O)O)c(C(=O)O)c1 Amb17470870 [0,1,0,0,0,0|2,0,0]=3 735 B14R1.6074 Cc1ccc(NC(C)C)c(C(=O)O)c1 Amb841588 [0,1,0,0,0,0|2,0,1]=4 736 B14R1.6074 Cc1ccc(NC(N)=S)c(C(=O)O)c1 Amb27764115 [0,1,0,0,0,0|2,1,0]=4 737 B14R1.6074 Cc1ccc(OC(=O)Cl)c([N+](=O)[O-])c1 Amb33297018 [0,1,0,0,0,0|2,0,1]=4 738 B14R1.6074 Cc1ccc(OC(C)C)c(C(=O)O)c1 Amb17201433 [0,1,0,0,0,0|1,0,1]=3 739 B14R1.6074 Cc1ccc(OC(C)C)c(C(=O)O)n1 Amb27637730 [0,1,0,0,0,0|2,0,1]=4 740 B14R1.6074 NC(=O)Nc1ccc(Br)cc1C(=O)O Amb19374063 [0,1,0,0,0,0|2,0,0]=3 741 B14R1.6074 NC(=O)Nc1ccc(Cl)cc1C(=O)O Amb1112549 [0,1,0,0,0,0|2,0,0]=3 742 B14R1.6074 NC(=O)Nc1ccc(I)cc1C(=O)O Amb27595509 [0,1,0,0,0,0|2,0,0]=3 743 B14R1.6074 NC(=O)Nc1ccc(O)cc1C(=O)O Amb18954497 [0,1,0,0,0,0|2,0,0]=3 744 B14R1.6074 NC(=O)Oc1ccc(Cl)cc1C(=O)O Amb27957622 [0,1,0,0,0,0|1,0,0]=2 745 B14R1.6074 NC(=S)Nc1ccc(Br)cc1C(=O)O Amb16229159 [0,1,0,0,0,0|2,1,0]=4 746 B14R1.6074 NC(=S)Nc1ccc(Cl)cc1C(=O)O Amb25752345 [0,1,0,0,0,0|2,1,0]=4 747 B14R1.6074 NC(=S)Nc1ccc(F)cc1C(=O)O Amb25214021 [0,1,0,0,0,0|2,1,0]=4 748 B14R1.6074 NC(=S)Nc1ccc(I)cc1C(=O)O Amb28066169 [0,1,0,0,0,0|2,1,0]=4 749 B14R1.6074 NC(=S)Nc1ccc(N)cc1C(=O)O Amb25812921 [0,1,0,0,0,0|2,1,0]=4 750 B14R1.6074 NC(=S)Nc1ccc(O)cc1C(=O)O Amb26477436 [0,1,0,0,0,0|2,1,0]=4 751 B14R1.6074 Nc1ccc(CC(=O)O)c(C(=O)O)c1 Amb18652022 [0,1,0,0,0,0|2,0,0]=3 752 B14R1.6074 Nc1ccc(OC(F)F)c(C(=O)O)c1 Amb19373525 [0,1,0,0,0,0|2,0,1]=4 753 B14R1.6074 Nc1ccc(OC(F)F)c(C(=O)O)c1 Amb8963302 [0,1,0,0,0,0|2,0,1]=4 754 B14R1.6074 O=C(Cl)Oc1ccc(Br)cc1[N+](=O)[O-] Amb33297296 [0,1,0,0,0,0|2,0,1]=4 755 B14R1.6074 O=C(Cl)Oc1ccc(Cl)cc1[N+](=O)[O-] Amb33297020 [0,1,0,0,0,0|2,0,1]=4 756 B14R1.6074 O=C(Cl)Oc1ccc(F)cc1[N+](=O)[O-] Amb33297075 [0,1,0,0,0,0|2,0,1]=4 757 B14R1.6074 O=C(O)Cc1ccc(Br)cc1C(=O)O Amb21962765 [0,1,0,0,0,0|2,0,0]=3 758 B14R1.6074 O=C(O)Cc1ccc(Cl)cc1C(=O)O Amb17471505 [0,1,0,0,0,0|2,0,0]=3 759 B14R1.6074 O=C(O)Cc1ccc(F)cc1C(=O)O Amb17470968 [0,1,0,0,0,0|2,0,0]=3 760 B14R1.6074 O=C(O)Cc1ccc(I)cc1C(=O)O Amb24664175 [0,1,0,0,0,0|2,0,0]=3 761 B14R1.6074 O=C(O)Cc1ccc(S)cc1C(=O)O Amb25747975 [0,1,0,0,0,0|2,0,0]=3 762 B14R1.6074 O=C(O)c1cc(Br)ccc1OC(F)F Amb1935247 [0,1,0,0,0,0|2,0,1]=4 763 B14R1.6074 O=C(O)c1cc(Cl)ccc1OC(F)F Amb8835823 [0,1,0,0,0,0|2,0,1]=4 764 B14R1.6074 O=C(O)c1cc(F)ccc1OC(F)F Amb22043624 [0,1,0,0,0,0|2,0,1]=4 765 B14R1.6074 O=C(O)c1cc(O)ccc1OC(F)F Amb24536102 [0,1,0,0,0,0|2,0,1]=4 766 B14R1.6312 CC(=O)c1ccccc1NS(C)(=O)=O Amb2409307 [0,1,0,0,0,0|3,0,0]=4 767 B14R1.6312 CC(=O)c1ccccc1OC(C)(C)C Amb7792582 [0,1,0,0,0,0|2,0,1]=4 768 B14R1.6312 CC(C)(C)Cc1ccccc1C(=O)O Amb2610506 [0,1,0,0,0,0|2,0,1]=4 769 B14R1.6312 CC(C)(C)Oc1ccccc1C(=O)O Amb2683359 [0,1,0,0,0,0|1,0,1]=3 770 B14R1.6312 CC(C)(C)Oc1ccccc1C(N)=O Amb22039485 [0,1,0,0,0,0|2,0,1]=4 771 B14R1.6312 CC(C)(C)Oc1cccnc1C(=O)O Amb27417947 [0,1,0,0,0,0|2,0,1]=4 772 B14R1.6312 CC(C)(C)Oc1ccncc1C(=O)O Amb27397627 [0,1,0,0,0,0|2,0,1]=4 773 B14R1.6312 CC(C)(C)Sc1ccccc1C(=O)O Amb2685684 [0,1,0,0,0,0|1,1,1]=4 774 B14R1.6312 CC(C)(F)Cc1ccccc1C(=O)O Amb27872749 [0,1,0,0,0,0|2,0,1]=4 775 B14R1.6312 CS(=N)(=O)Nc1ccccc1C(=O)O Amb29867287 [0,1,0,0,0,0|2,0,0]=3 776 B14R1.6312 CS(=N)(=O)Nc1ccccc1C(N)=O Amb35715243 [0,1,0,0,0,0|3,0,0]=4 777 B14R1.6312 CS(=O)(=O)Cc1ccccc1C(=O)O Amb17498200 [0,1,0,0,0,0|2,0,0]=3 778 B14R1.6312 CS(=O)(=O)Cc1ncccc1C(=O)O Amb28207772 [0,1,0,0,0,0|3,0,0]=4 779 B14R1.6312 CS(=O)(=O)Nc1ccccc1C(=O)O Amb6355994 [0,1,0,0,0,0|2,0,0]=3 780 B14R1.6312 CS(=O)(=O)Nc1ccccc1C(N)=O Amb6573302 [0,1,0,0,0,0|3,0,0]=4 781 B14R1.6312 CS(=O)(=O)Nc1cccnc1C(=O)O Amb28140160 [0,1,0,0,0,0|3,0,0]=4 782 B14R1.6312 CS(=O)(=O)Nc1ccncc1C(=O)O Amb27785041 [0,1,0,0,0,0|3,0,0]=4 783 B14R1.6312 CS(=O)(=O)Oc1ccccc1C(=O)O Amb25041988 [0,1,0,0,0,0|1,0,0]=2 784 B14R1.6312 CS(C)(=O)=Nc1ccccc1C(=O)O Amb32655532 [0,1,0,0,0,0|2,0,0]=3 785 B14R1.6312 C[Si](C)(C)Cc1ccccc1C(=O)O Amb17778358 [0,1,0,0,0,0|2,1,0]=4 786 B14R1.6312 NC(=O)c1ccccc1OP(=O)(O)O Amb28382474 [0,1,0,0,0,0|3,0,0]=4 787 B14R1.6312 NS(=O)(=O)Oc1ccccc1C(=O)O Amb25036830 [0,1,0,0,0,0|2,0,0]=3 788 B14R1.6312 O=C(O)c1ccccc1NP(=O)(O)O Amb27390163 [0,1,0,0,0,0|3,0,0]=4 789 B14R1.6312 O=C(O)c1ccccc1OC(F)(F)F Amb2371914 [0,1,0,0,0,0|2,0,1]=4 790 B14R1.6312 O=C(O)c1ccccc1OP(=O)(O)O Amb8384515 [0,1,0,0,0,0|2,0,0]=3 791 B14R2.287 CC1=NN=C(O)c2ccccc2O1 Amb20466009 [0,0,0,1,0,0|2,0,0]=3 792 B14R2.287 O=C1C=NC(=O)c2ccccc2N1 Amb24597661 [0,0,0,1,0,0|2,0,1]=4 793 B14R2.287 O=C1CCC(=O)c2ccccc2N1 Amb17608787 [0,0,0,1,0,0|2,0,0]=3 794 B14R2.287 O=C1CCC(=O)c2ccncc2N1 Amb24426850 [0,0,0,1,0,0|3,0,0]=4 795 B14R2.287 O=C1CCC(=O)c2cnccc2N1 Amb25076767 [0,0,0,1,0,0|3,0,0]=4 796 B14R2.287 O=C1CCC(=O)c2ncccc2N1 Amb8471184 [0,0,0,1,0,0|3,0,0]=4 797 B14R2.287 O=C1CCC(Cl)Oc2ccccc21 Amb28137984 [0,0,0,1,0,0|2,0,1]=4 798 B14R2.287 O=C1CNC(=O)c2ccccc2N1 Amb627736 [0,0,0,1,0,0|2,0,0]=3 799 B14R2.287 O=C1Cc2ccccc2C(=O)NN1 Amb28423520 [0,0,0,1,0,0|3,0,0]=4 800 B14R2.287 O=C1NCC(=S)Nc2ccccc21 Amb27751374 [0,0,0,1,0,0|2,1,0]=4 801 B14R2.287 O=C1NCC(Cl)=Nc2ccccc21 Amb18636457 [0,0,0,1,0,0|3,0,0]=4 802 B14R2.287 O=C1NNC(=O)c2ccccc2N1 Amb27169393 [0,0,0,1,0,0|3,0,0]=4 803 B14R2.712 CC(=O)c1cccc2c1NC(=O)N2 Amb23412229 [0,0,0,1,0,0|3,0,0]=4 804 B14R2.712 CC(=O)c1cccc2c1NC(=O)O2 Amb20663539 [0,0,0,1,0,0|3,0,0]=4 805 B14R2.712 CC(=O)c1cccc2c1OC(=O)N2 Amb18547332 [0,0,0,1,0,0|2,0,0]=3 806 B14R2.712 CC(=O)c1cccc2nc(Br)oc12 Amb27615849 [0,0,0,1,0,0|3,0,0]=4 807 B14R2.712 CC(=O)c1cccc2nc(C)oc12 Amb6384270 [0,0,0,1,0,0|2,0,0]=3 808 B14R2.712 CC(=O)c1cccc2nc(Cl)oc12 Amb26575559 [0,0,0,1,0,0|3,0,0]=4 809 B14R2.712 CC(=O)c1cccc2nc(F)oc12 Amb26419290 [0,0,0,1,0,0|3,0,0]=4 810 B14R2.712 CC(=O)c1cccc2nc(N)oc12 Amb17570177 [0,0,0,1,0,0|3,0,0]=4 811 B14R2.712 CC(=O)c1cccc2nc(S)oc12 Amb17570741 [0,0,0,1,0,0|2,1,0]=4 812 B14R2.712 CC(=O)c1cccc2nc([SH3])oc12 Amb18547371 [0,0,0,1,0,0|2,1,0]=4 813 B14R2.712 CC(=O)c1cccc2oc(C)nc12 Amb28255814 [0,0,0,1,0,0|2,0,1]=4 814 B14R2.712 CC1Cc2c(cccc2C(=O)O)O1 Amb27159687 [0,0,0,1,0,0|1,0,2]=4 815 B14R2.712 CC1Cc2cccc(C(=O)O)c2O1 Amb18128119 [0,0,0,1,0,0|1,0,1]=3 816 B14R2.712 CC1Cc2cccc(C(=O)O)c2S1 Amb28184959 [0,0,0,1,0,0|1,1,1]=4 817 B14R2.712 C[C@H]1Cc2cccc(C(=O)O)c2O1 Amb27955236 [0,0,0,1,0,0|1,0,1]=3 818 B14R2.712 C[C@H]1Oc2cccc(C(=O)O)c2O1 Amb27179156 [0,0,0,1,0,0|0,0,2]=3 819 B14R2.712 Cc1cc2c(C(=O)O)cccc2o1 Amb2613279 [0,0,0,1,0,0|1,0,1]=3 820 B14R2.712 Cc1cc2c(C(=O)O)cccn2c1 Amb18197481 [0,0,0,1,0,0|3,0,0]=4 821 B14R2.712 Cc1cc2cccc(C(=O)O)c2o1 Amb8009545 [0,0,0,1,0,0|1,0,0]=2 822 B14R2.712 Cc1cn2c(C(=O)O)cccc2n1 Amb17128327 [0,0,0,1,0,0|3,0,0]=4 823 B14R2.712 Cc1cn2cccc(C(=O)O)c2n1 Amb17128326 [0,0,0,1,0,0|3,0,0]=4 824 B14R2.712 Cc1cn2cccc(C(=O)O)c2n1 Amb22587716 [0,0,0,1,0,0|3,0,0]=4 825 B14R2.712 Cc1nc2c(C(=O)Cl)cccc2o1 Amb26532630 [0,0,0,1,0,0|2,0,1]=4 826 B14R2.712 Cc1nc2c(C(=O)O)cccc2o1 Amb33548098 [0,0,0,1,0,0|1,0,1]=3 827 B14R2.712 Cc1nc2c(C(=O)O)cccc2s1 Amb27442425 [0,0,0,1,0,0|1,1,0]=3 828 B14R2.712 Cc1nc2c(C(N)=O)cccc2o1 Amb28118924 [0,0,0,1,0,0|2,0,1]=4 829 B14R2.712 Cc1nc2cccc(B(O)O)c2o1 Amb27841003 [0,0,0,1,0,0|2,0,1]=4 830 B14R2.712 Cc1nc2cccc(C(=O)Cl)c2o1 Amb25208719 [0,0,0,1,0,0|2,0,0]=3 831 B14R2.712 Cc1nc2cccc(C(=O)Cl)c2s1 Amb24731228 [0,0,0,1,0,0|2,1,0]=4 832 B14R2.712 Cc1nc2cccc(C(=O)O)c2o1 Amb1050755 [0,0,0,1,0,0|1,0,0]=2 833 B14R2.712 Cc1nc2cccc(C(=O)O)c2s1 Amb22886600 [0,0,0,1,0,0|1,1,0]=3 834 B14R2.712 Cc1nc2cccc(C(=O)O)n2n1 Amb18341485 [0,0,0,1,0,0|3,0,0]=4 835 B14R2.712 Cc1nc2cccc(C(N)=O)c2o1 Amb24697110 [0,0,0,1,0,0|2,0,0]=3 836 B14R2.712 Cc1nc2cccc([N+](=O)[O-])c2o1 Amb25802787 [0,0,0,1,0,0|2,0,1]=4 837 B14R2.712 Cn1cc2c(C(=O)O)cccc2n1 Amb21928007 [0,0,0,1,0,0|3,0,0]=4 838 B14R2.712 Cn1cc2cccc(C(=O)O)c2n1 Amb21928010 [0,0,0,1,0,0|3,0,0]=4 839 B14R2.712 Cn1nc2cccc(C(=O)O)c2n1 Amb23403588 [0,0,0,1,0,0|3,0,0]=4 840 B14R2.712 NC(=O)c1cccc2nc(Cl)oc12 Amb27634196 [0,0,0,1,0,0|3,0,0]=4 841 B14R2.712 NC(=O)c1cccc2nc(F)oc12 Amb25937370 [0,0,0,1,0,0|3,0,0]=4 842 B14R2.712 NC(=O)c1cccc2nc(I)oc12 Amb26905893 [0,0,0,1,0,0|3,0,0]=4 843 B14R2.712 NC(=O)c1cccc2nc(O)oc12 Amb24536816 [0,0,0,1,0,0|2,0,1]=4 844 B14R2.712 NC(=O)c1cccc2nc(S)oc12 Amb27215633 [0,0,0,1,0,0|2,1,0]=4 845 B14R2.712 NC1Cc2cccc(C(=O)O)c2C1 Amb28316756 [0,0,0,1,0,0|2,0,1]=4 846 B14R2.712 Nc1nc2c(C(=O)O)cccc2o1 Amb24659924 [0,0,0,1,0,0|2,0,1]=4 847 B14R2.712 Nc1nc2c(C(=O)O)cccc2s1 Amb26318539 [0,0,0,1,0,0|2,1,0]=4 848 B14R2.712 Nc1nc2cccc(C(=O)Cl)c2o1 Amb28368827 [0,0,0,1,0,0|3,0,0]=4 849 B14R2.712 Nc1nc2cccc(C(=O)O)c2o1 Amb27242526 [0,0,0,1,0,0|2,0,0]=3 850 B14R2.712 Nc1nc2cccc(C(=O)O)c2s1 Amb19957785 [0,0,0,1,0,0|2,1,0]=4 851 B14R2.712 O=C(Cl)c1cccc2nc(Br)oc12 Amb27199948 [0,0,0,1,0,0|3,0,0]=4 852 B14R2.712 O=C(Cl)c1cccc2nc(Cl)oc12 Amb26906452 [0,0,0,1,0,0|3,0,0]=4 853 B14R2.712 O=C(Cl)c1cccc2nc(F)oc12 Amb25939183 [0,0,0,1,0,0|3,0,0]=4 854 B14R2.712 O=C(Cl)c1cccc2nc(I)oc12 Amb27964615 [0,0,0,1,0,0|3,0,0]=4 855 B14R2.712 O=C(Cl)c1cccc2nc(O)oc12 Amb24637297 [0,0,0,1,0,0|2,0,1]=4 856 B14R2.712 O=C(Cl)c1cccc2nc(S)oc12 Amb27966265 [0,0,0,1,0,0|2,1,0]=4 857 B14R2.712 O=C(O)c1cccc2c1CC(O)C2 Amb33297803 [0,0,0,1,0,0|1,0,2]=4 858 B14R2.712 O=C(O)c1cccc2c1NC(=S)N2 Amb22728875 [0,0,0,1,0,0|2,1,0]=4 859 B14R2.712 O=C(O)c1cccc2nc(Br)oc12 Amb25192165 [0,0,0,1,0,0|2,0,0]=3 860 B14R2.712 O=C(O)c1cccc2nc(Br)sc12 Amb22497964 [0,0,0,1,0,0|2,1,0]=4 861 B14R2.712 O=C(O)c1cccc2nc(Cl)oc12 Amb27449828 [0,0,0,1,0,0|2,0,0]=3 862 B14R2.712 O=C(O)c1cccc2nc(Cl)sc12 Amb22436765 [0,0,0,1,0,0|2,1,0]=4 863 B14R2.712 O=C(O)c1cccc2nc(F)oc12 Amb25292883 [0,0,0,1,0,0|2,0,0]=3 864 B14R2.712 O=C(O)c1cccc2nc(I)oc12 Amb27462294 [0,0,0,1,0,0|2,0,0]=3 865 B14R2.712 O=C(O)c1cccc2nc(O)oc12 Amb22059707 [0,0,0,1,0,0|1,0,1]=3 866 B14R2.712 O=C(O)c1cccc2nc(S)oc12 Amb26881317 [0,0,0,1,0,0|1,1,0]=3 867 B14R2.712 O=C(O)c1cccc2oc(F)nc12 Amb26952907 [0,0,0,1,0,0|2,0,1]=4 868 B14R2.712 O=C(O)c1cccc2oc(I)nc12 Amb27624805 [0,0,0,1,0,0|2,0,1]=4 869 B14R2.712 O=C(O)c1cccc2oc(S)nc12 Amb25687263 [0,0,0,1,0,0|2,0,1]=4 870 B14R2.712 O=C(O)c1cccc2sc(Br)nc12 Amb26610245 [0,0,0,1,0,0|2,1,0]=4 871 B14R2.712 O=C(O)c1cccc2sc(Cl)nc12 Amb22490609 [0,0,0,1,0,0|2,1,0]=4 872 B14R2.712 O=C(O)c1ccnc2nc(O)oc12 Amb26387102 [0,0,0,1,0,0|2,0,1]=4 873 B14R2.712 O=C(O)c1nccc2cc(Cl)oc12 Amb27667183 [0,0,0,1,0,0|2,0,1]=4 874 B14R2.712 O=C1C=C2C(C(=O)O)=CC=CC2=N1 Amb26366368 [0,0,0,1,0,0|2,0,0]=3 875 B14R2.712 O=C1CN2C(C(=O)O)=CC=CC2=N1 Amb35679339 [0,0,0,1,0,0|3,0,0]=4 876 B14R2.712 O=C1CN2C=CN=C(C(=O)O)C2=N1 Amb35679371 [0,0,0,1,0,0|3,0,0]=4 877 B14R2.712 O=C1Cc2c(C(=O)O)ccnc2N1 Amb24090874 [0,0,0,1,0,0|3,0,0]=4 878 B14R2.712 O=C1Cc2c(cccc2C(=O)O)N1 Amb21856170 [0,0,0,1,0,0|2,0,0]=3 879 B14R2.712 O=C1Cc2c(cccc2C(=O)O)O1 Amb22755936 [0,0,0,1,0,0|2,0,0]=3 880 B14R2.712 O=C1Cc2c(ccnc2C(=O)O)N1 Amb28243603 [0,0,0,1,0,0|3,0,0]=4 881 B14R2.712 O=C1Cc2c(cncc2C(=O)O)N1 Amb24330078 [0,0,0,1,0,0|3,0,0]=4 882 B14R2.712 O=C1Cc2cccc(B(O)O)c2N1 Amb28253000 [0,0,0,1,0,0|2,0,1]=4 883 B14R2.712 O=C1Cc2cccc(C(=O)O)c2N1 Amb8010849 [0,0,0,1,0,0|1,0,0]=2 884 B14R2.712 O=C1Cc2cccc(C(=O)O)c2O1 Amb24429091 [0,0,0,1,0,0|0,0,0]=1 885 B14R2.712 O=C1Cc2cccc(N(=O)=O)c2N1 Amb22396529 [0,0,0,1,0,0|2,0,1]=4 886 B14R2.712 O=C1Cc2cccc([N+](=O)[O-])c2N1 Amb8629101 [0,0,0,1,0,0|2,0,1]=4 887 B14R2.712 O=C1Cc2ccnc(C(=O)O)c2N1 Amb24330024 [0,0,0,1,0,0|2,0,0]=3 888 B14R2.712 O=C1Cc2cncc(B(O)O)c2O1 Amb27603495 [0,0,0,1,0,0|2,0,1]=4 889 B14R2.712 O=C1Nc2c(cccc2C(=O)O)O1 Amb18061750 [0,0,0,1,0,0|2,0,0]=3 890 B14R2.712 O=C1Nc2cccc(C(=O)O)c2N1 Amb22001975 [0,0,0,1,0,0|2,0,0]=3 891 B14R2.712 O=C1Nc2ccnc(C(=O)O)c2O1 Amb27200587 [0,0,0,1,0,0|2,0,0]=3 892 B14R2.8189 CC1=Cc2ccccc2S(=O)(O)=N1 Amb23590823 [0,0,0,1,0,0|3,0,0]=4 893 B14R2.8189 O=C1CS(=O)(=O)c2ccccc2N1 Amb2415972 [0,0,0,1,0,0|2,0,1]=4 894 B14R2.9513 O=C(O)c1ccccc1OC2CC2 Amb25367028 [0,0,0,1,0,0|1,0,1]=3 895 B14R2.9513 O=C(O)c1ccccc1SC2CC2 Amb27168295 [0,0,0,1,0,0|1,1,1]=4 896 B14R2.9513 O=C(O)c1ccncc1OC2CC2 Amb28460949 [0,0,0,1,0,0|2,0,1]=4 897 B14R2.9513 O=C(O)c1cnccc1OC2CC2 Amb27663933 [0,0,0,1,0,0|2,0,1]=4 898 B14R2.25733 CC(=O)N1CC(=O)c2ccccc21 Amb533887 [0,0,0,1,0,0|2,0,0]=3 899 B14R2.25733 CC(=O)N1CC(=O)c2cccnc21 Amb17607513 [0,0,0,1,0,0|3,0,0]=4 900 B14R2.25733 CC(=O)N1CC(O)c2ccccc21 Amb28428026 [0,0,0,1,0,0|2,0,1]=4 901 B14R2.25733 CC(=O)n1cc(Br)c2ccccc21 Amb17943393 [0,0,0,1,0,0|3,0,0]=4 902 B14R2.25733 CC(=O)n1cc(C)c2ccccc21 Amb17778657 [0,0,0,1,0,0|3,0,0]=4 903 B14R2.25733 CC(=O)n1cc(Cl)c2ccccc21 Amb27625618 [0,0,0,1,0,0|3,0,0]=4 904 B14R2.25733 CC(=O)n1cc(O)c2ccccc21 Amb3445153 [0,0,0,1,0,0|2,0,0]=3 905 B14R2.25733 CC(=O)n1cc(O)c2cccnc21 Amb28075645 [0,0,0,1,0,0|3,0,0]=4 906 B14R2.25733 CC(=O)n1nc(Cl)c2ccccc21 Amb27636536 [0,0,0,1,0,0|3,0,0]=4 907 B14R2.25733 CC(=O)n1oc(=O)c2ccccc21 Amb4111187 [0,0,0,1,0,0|1,0,0]=2 908 B14R2.25733 CC(N)C1OC(=O)c2ccccc21 Amb27445455 [0,0,0,1,0,0|2,0,1]=4 909 B14R2.25733 CC(O)C1OC(=O)c2ccccc21 Amb27952288 [0,0,0,1,0,0|1,0,2]=4 910 B14R2.25733 C\C(O)=C1\OC(=O)c2ccccc21 Amb24712686 [0,0,0,1,0,0|1,0,1]=3 911 B14R2.25733 NC(=O)C1CC(=O)c2ccccc21 Amb28244684 [0,0,0,1,0,0|3,0,0]=4 912 B14R2.25733 NC(=O)C1NC(=O)c2ccccc21 Amb27983592 [0,0,0,1,0,0|3,0,0]=4 913 B14R2.25733 O=C1CC(C(=O)O)c2ccccc21 Amb2696644 [0,0,0,1,0,0|3,0,0]=4 914 B14R2.25733 O=C1C[C@@H](C(=O)O)c2ccccc21 Amb26980946 [0,0,0,1,0,0|3,0,0]=4 915 B14R2.25733 O=C1C[C@H](C(=O)O)c2ccccc21 Amb25295474 [0,0,0,1,0,0|3,0,0]=4 916 B14R2.25733 O=C1NC(C(=O)O)c2ccccc21 Amb18127821 [0,0,0,1,0,0|3,0,0]=4 917 B14R2.25733 O=C1OC(C(=O)O)c2ccccc21 Amb2613032 [0,0,0,1,0,0|2,0,0]=3 918 B14R2.29496 CC1(C)CC(=O)c2ccccc2O1 Amb1397720 [0,0,0,1,0,0|2,0,1]=4 919 B14R2.29496 CC1(C)NC(=O)c2ccccc2O1 Amb611936 [0,0,0,1,0,0|2,0,1]=4 920 B14R2.29496 O=C1CS(=O)(=O)Oc2ccccc21 Amb10071992 [0,0,0,1,0,0|3,0,0]=4 921 B12R1.261 C=C(C)c1ccccc1C(=O)O Amb18126330 [0,0,0,0,1,0|1,0,0]=2 922 B12R1.261 C=C(C)c1ccccc1C(C)=O Amb27177439 [0,0,0,0,1,0|2,0,0]=3 923 B12R1.261 C=C(C)c1ncccc1C(=O)O Amb28365742 [0,0,0,0,1,0|2,0,0]=3 924 B12R1.261 CC(=O)c1ccccc1B(O)O Amb2719789 [0,0,0,0,1,0|1,0,1]=3 925 B12R1.261 CC(=O)c1ccccc1C(=O)Cl Amb20673428 [0,0,0,0,1,0|1,0,0]=2 926 B12R1.261 CC(=O)c1ccccc1C(=O)O Amb2792458 [0,0,0,0,1,0|0,0,0]=1 927 B12R1.261 CC(=O)c1ccccc1C(C)=O Amb2721252 [0,0,0,0,1,0|1,0,0]=2 928 B12R1.261 CC(=O)c1ccccc1C(C)C Amb17470432 [0,0,0,0,1,0|2,0,1]=4 929 B12R1.261 CC(=O)c1ccccc1C(F)F Amb23400927 [0,0,0,0,1,0|2,0,1]=4 930 B12R1.261 CC(=O)c1ccccc1C(N)=O Amb26075354 [0,0,0,0,1,0|1,0,0]=2 931 B12R1.261 CC(=O)c1ccccc1N(=O)=O Amb6357340 [0,0,0,0,1,0|1,0,1]=3 932 B12R1.261 CC(=O)c1ccccc1N(C)C Amb33534340 [0,0,0,0,1,0|3,0,0]=4 933 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] Amb3940440 [0,0,0,0,1,0|1,0,1]=3 934 B12R1.261 CC(=O)c1cccnc1C(=O)O Amb15695142 [0,0,0,0,1,0|1,0,0]=2 935 B12R1.261 CC(=O)c1cccnc1C(C)=O Amb25736342 [0,0,0,0,1,0|2,0,0]=3 936 B12R1.261 CC(=O)c1cccnc1[N+](=O)[O-] Amb23403028 [0,0,0,0,1,0|2,0,1]=4 937 B12R1.261 CC(=O)c1ccncc1C(C)=O Amb27591546 [0,0,0,0,1,0|2,0,0]=3 938 B12R1.261 CC(=O)c1ccncc1[N+](=O)[O-] Amb10573617 [0,0,0,0,1,0|2,0,1]=4 939 B12R1.261 CC(=O)c1cnccc1C(=O)O Amb28383495 [0,0,0,0,1,0|1,0,0]=2 940 B12R1.261 CC(=O)c1ncccc1S(C)=O Amb23402723 [0,0,0,0,1,0|3,0,0]=4 941 B12R1.261 CC(=O)c1ncccc1[N+](=O)[O-] Amb23401215 [0,0,0,0,1,0|2,0,1]=4 942 B12R1.261 CC(C)c1ccccc1C(=O)O Amb2610448 [0,0,0,0,1,0|1,0,1]=3 943 B12R1.261 CC(C)c1cccnc1C(=O)O Amb26879910 [0,0,0,0,1,0|2,0,1]=4 944 B12R1.261 CC(C)c1ccncc1C(=O)O Amb25911793 [0,0,0,0,1,0|2,0,1]=4 945 B12R1.261 CC(C)c1ncccc1C(=O)O Amb18828451 [0,0,0,0,1,0|2,0,1]=4 946 B12R1.261 CC(F)c1ccccc1C(=O)O Amb27221962 [0,0,0,0,1,0|1,0,1]=3 947 B12R1.261 CC(N)c1ccccc1C(=O)O Amb22755630 [0,0,0,0,1,0|1,0,1]=3 948 B12R1.261 CC(N)c1ccccc1C(=O)O Amb22831575 [0,0,0,0,1,0|1,0,1]=3 949 B12R1.261 CC(O)c1ccccc1C(=O)O Amb25360947 [0,0,0,0,1,0|0,0,2]=3 950 B12R1.261 CC(O)c1ccccc1C(=O)[O-] Amb32663613 [0,0,0,0,1,0|0,0,3]=4 951 B12R1.261 CN(C)c1ccccc1C(=O)O Amb21964350 [0,0,0,0,1,0|2,0,0]=3 952 B12R1.261 CN(C)c1ccccc1C(=O)O Amb6357485 [0,0,0,0,1,0|2,0,0]=3 953 B12R1.261 CN(C)c1cccnc1C(=O)O Amb25777505 [0,0,0,0,1,0|3,0,0]=4 954 B12R1.261 CN(C)c1cccnc1C(=O)O Amb28963321 [0,0,0,0,1,0|3,0,0]=4 955 B12R1.261 CN(C)c1cccnc1C(=O)O Amb32663310 [0,0,0,0,1,0|3,0,0]=4 956 B12R1.261 CN(C)c1ccncc1C(=O)O Amb27444653 [0,0,0,0,1,0|3,0,0]=4 957 B12R1.261 CN(C)c1cnccc1C(=O)O Amb27449699 [0,0,0,0,1,0|3,0,0]=4 958 B12R1.261 CN(C)c1ncccc1C(=O)O Amb5745951 [0,0,0,0,1,0|3,0,0]=4 959 B12R1.261 CN(C)c1ncccc1C(=O)O Amb7969779 [0,0,0,0,1,0|3,0,0]=4 960 B12R1.261 CN(N)c1ccccc1C(=O)O Amb28118977 [0,0,0,0,1,0|2,0,0]=3 961 B12R1.261 CS(=O)c1ccccc1B(O)O Amb2456027 [0,0,0,0,1,0|2,0,1]=4 962 B12R1.261 CS(=O)c1ccccc1C(=O)O Amb1216535 [0,0,0,0,1,0|1,0,0]=2 963 B12R1.261 CS(=O)c1ccccc1C(N)=O Amb25876512 [0,0,0,0,1,0|2,0,0]=3 964 B12R1.261 C[C@@H](N)c1ccccc1C(=O)O Amb25149917 [0,0,0,0,1,0|1,0,1]=3 965 B12R1.261 C[C@H](N)c1ccccc1C(=O)O Amb28381850 [0,0,0,0,1,0|1,0,1]=3 966 B12R1.261 C[C@H](N)c1ccncc1C(=O)O Amb27881620 [0,0,0,0,1,0|2,0,1]=4 967 B12R1.261 C[C@H](O)c1ccccc1C(=O)O Amb27398175 [0,0,0,0,1,0|0,0,2]=3 968 B12R1.261 N=C(N)c1ccccc1C(=O)O Amb28384608 [0,0,0,0,1,0|2,0,0]=3 969 B12R1.261 N=C(N)c1ncccc1C(=O)O Amb27963250 [0,0,0,0,1,0|3,0,0]=4 970 B12R1.261 NC(=O)c1ccccc1B(O)O Amb2455624 [0,0,0,0,1,0|2,0,1]=4 971 B12R1.261 NC(=O)c1ccccc1C(=O)O Amb2590006 [0,0,0,0,1,0|1,0,0]=2 972 B12R1.261 NC(=O)c1ccccc1C(N)=O Amb1929307 [0,0,0,0,1,0|2,0,0]=3 973 B12R1.261 NC(=O)c1ccccc1N(=O)=O Amb6357401 [0,0,0,0,1,0|2,0,1]=4 974 B12R1.261 NC(=O)c1ccccc1[N+](=O)[O-] Amb6335822 [0,0,0,0,1,0|2,0,1]=4 975 B12R1.261 NC(=O)c1ccncc1C(=O)O Amb2609577 [0,0,0,0,1,0|2,0,0]=3 976 B12R1.261 NC(=O)c1cnccc1C(=O)O Amb27645485 [0,0,0,0,1,0|2,0,0]=3 977 B12R1.261 NC(=O)c1ncccc1C(=O)O Amb2612004 [0,0,0,0,1,0|2,0,0]=3 978 B12R1.261 NC(=O)c1nccnc1C(=O)O Amb2792732 [0,0,0,0,1,0|3,0,0]=4 979 B12R1.261 NC(=S)c1ccccc1C(=O)O Amb1113491 [0,0,0,0,1,0|1,1,0]=3 980 B12R1.261 NC(=S)c1cccnc1C(=O)O Amb28398582 [0,0,0,0,1,0|2,1,0]=4 981 B12R1.261 NC(=S)c1ncccc1C(=O)O Amb27800834 [0,0,0,0,1,0|2,1,0]=4 982 B12R1.261 O=C(Cl)c1ccccc1C(=O)Cl Amb8513296 [0,0,0,0,1,0|2,0,0]=3 983 B12R1.261 O=C(Cl)c1ccccc1[N+](=O)[O-] Amb33528402 [0,0,0,0,1,0|2,0,1]=4 984 B12R1.261 O=C(O)C1=C(C(=O)O)CC=CC1 Amb17594192 [0,0,0,0,1,0|1,0,2]=4 985 B12R1.261 O=C(O)C1C=CC=CC1C(=O)O Amb17594193 [0,0,0,0,1,0|1,0,2]=4 986 B12R1.261 O=C(O)c1ccccc1B(O)O Amb2455715 [0,0,0,0,1,0|2,0,1]=4 987 B12R1.261 O=C(O)c1ccccc1C(=O)O Amb22338462 [0,0,0,0,1,0|1,0,0]=2 988 B12R1.261 O=C(O)c1ccccc1C(=O)O Amb2556636 [0,0,0,0,1,0|1,0,0]=2 989 B12R1.261 O=C(O)c1ccccc1C(Br)Br Amb2967247 [0,0,0,0,1,0|2,0,1]=4 990 B12R1.261 O=C(O)c1ccccc1C(F)F Amb20670211 [0,0,0,0,1,0|2,0,1]=4 991 B12R1.261 O=C(O)c1ccccc1I(=O)=O Amb4030382 [0,0,0,0,1,0|2,0,0]=3 992 B12R1.261 O=C(O)c1ccccc1S(=O)O Amb3992396 [0,0,0,0,1,0|2,0,0]=3 993 B12R1.261 O=C(O)c1ccccc1[N+](=O)[O-] Amb6355839 [0,0,0,0,1,0|2,0,0]=3 994 B12R1.261 O=C(O)c1cccnc1C(=O)Cl Amb27400392 [0,0,0,0,1,0|2,0,0]=3 995 B12R1.261 O=C(O)c1cccnc1C(=O)O Amb535229 [0,0,0,0,1,0|2,0,0]=3 996 B12R1.261 O=C(O)c1cccnc1S(=O)O Amb27666982 [0,0,0,0,1,0|3,0,0]=4 997 B12R1.261 O=C(O)c1cccnc1[N+](=O)[O-] Amb2795629 [0,0,0,0,1,0|3,0,0]=4 998 B12R1.261 O=C(O)c1ccncc1C(=O)O Amb535231 [0,0,0,0,1,0|2,0,0]=3 999 B12R1.261 O=C(O)c1ccncc1N(=O)=O Amb20621861 [0,0,0,0,1,0|3,0,0]=4 1000 B12R1.261 O=C(O)c1ccncc1[N+](=O)[O-] Amb10602342 [0,0,0,0,1,0|3,0,0]=4 1001 B12R1.261 O=C(O)c1ccnnc1C(=O)O Amb24061646 [0,0,0,0,1,0|3,0,0]=4 1002 B12R1.261 O=C(O)c1cnccc1[N+](=O)[O-] Amb10602769 [0,0,0,0,1,0|3,0,0]=4 1003 B12R1.261 O=C(O)c1cnncc1C(=O)O Amb2796084 [0,0,0,0,1,0|3,0,0]=4 1004 B12R1.261 O=C(O)c1ncccc1N(=O)=O Amb20621913 [0,0,0,0,1,0|3,0,0]=4 1005 B12R1.261 O=C(O)c1ncccc1S(=O)O Amb28130076 [0,0,0,0,1,0|3,0,0]=4 1006 B12R1.261 O=C(O)c1ncccc1[N+](=O)[O-] Amb10603711 [0,0,0,0,1,0|3,0,0]=4 1007 B12R1.261 O=C(O)c1nccnc1C(=O)O Amb535228 [0,0,0,0,1,0|3,0,0]=4 1008 B12R1.261 O=C([O-])c1ccccc1C(=O)O Amb6365805 [0,0,0,0,1,0|1,0,0]=2 1009 B12R1.261 O=C([O-])c1ccccc1C(=O)[O-] Amb22491164 [0,0,0,0,1,0|1,0,1]=3 1010 B12R1.261 O=C([O-])c1ccccc1C(=O)[O-] Amb24323292 [0,0,0,0,1,0|1,0,1]=3 1011 B12R1.261 O=C([O-])c1ccccc1C(=O)[O-] Amb8488239 [0,0,0,0,1,0|1,0,1]=3 1012 B12R1.261 O=C([O-])c1ccccc1[N+](=O)[O-] Amb24309021 [0,0,0,0,1,0|2,0,1]=4 1013 B12R1.261 O=[N+]([O-])c1ccccc1S(=O)O Amb27273346 [0,0,0,0,1,0|3,0,0]=4 1014 B12R1.392 CC(=O)Cc1occc1C(=O)O Amb28121350 [0,0,0,0,1,0|2,0,0]=3 1015 B12R1.392 CC(=O)Nc1ccsc1C(=O)O Amb1117704 [0,0,0,0,1,0|2,0,0]=3 1016 B12R1.392 CC(=O)Nc1ccsc1C(C)=O Amb5721273 [0,0,0,0,1,0|3,0,0]=4 1017 B12R1.392 CC(=O)Nc1cscc1C(N)=O Amb25138597 [0,0,0,0,1,0|3,0,0]=4 1018 B12R1.392 CC(=O)Nc1sccc1C(=O)O Amb1099198 [0,0,0,0,1,0|2,0,0]=3 1019 B12R1.392 CC(=O)Nc1sccc1C(N)=O Amb4480061 [0,0,0,0,1,0|3,0,0]=4 1020 B12R1.392 CS(=O)Cc1occc1C(=O)O Amb18974544 [0,0,0,0,1,0|3,0,0]=4 1021 B12R1.392 NC(=O)Cc1cscc1C(=O)O Amb18649089 [0,0,0,0,1,0|3,0,0]=4 1022 B12R1.392 NC(=O)Cc1occc1C(=O)O Amb27446392 [0,0,0,0,1,0|3,0,0]=4 1023 B12R1.392 NC(=O)Nc1cocc1C(=O)O Amb25273932 [0,0,0,0,1,0|3,0,0]=4 1024 B12R1.392 O=C(O)Cc1ccoc1C(=O)O Amb18198948 [0,0,0,0,1,0|3,0,0]=4 1025 B12R1.392 O=C(O)Cc1cocc1C(=O)O Amb18198947 [0,0,0,0,1,0|3,0,0]=4 1026 B12R1.392 O=C(O)Cc1cscc1C(=O)O Amb18649249 [0,0,0,0,1,0|3,0,0]=4 1027 B12R1.392 O=C(O)Cc1occc1C(=O)O Amb4035788 [0,0,0,0,1,0|3,0,0]=4 1028 B12R1.392 O=C(O)Cc1sccc1C(=O)O Amb18822221 [0,0,0,0,1,0|3,0,0]=4 1029 B14R1.814 C=C(Br)Cc1ccccc1OC(C)=O Amb6299134 [0,0,0,0,0,1|2,0,0]=3 1030 B14R1.814 C=C(C)Cc1ccccc1OC(C)=O Amb6299136 [0,0,0,0,0,1|2,0,0]=3 1031 B14R1.814 C=C(Cl)Cc1ccccc1OC(C)=O Amb6299132 [0,0,0,0,0,1|2,0,0]=3 1032 B14R1.814 CC(=O)Cc1ccccc1NC(C)=O Amb27782404 [0,0,0,0,0,1|2,0,0]=3 1033 B14R1.814 CC(=O)Nc1ccccc1CC(=O)O Amb18299369 [0,0,0,0,0,1|1,0,0]=2 1034 B14R1.814 CC(=O)Nc1ccccc1CS(C)=O Amb27947476 [0,0,0,0,0,1|3,0,0]=4 1035 B14R1.814 CC(=O)Nc1ccccc1NC(C)=O Amb1070765 [0,0,0,0,0,1|2,0,0]=3 1036 B14R1.814 CC(=O)Nc1ccccc1NC(N)=O Amb27803929 [0,0,0,0,0,1|2,0,0]=3 1037 B14R1.814 CC(=O)Nc1ccccc1OC(C)=O Amb3994218 [0,0,0,0,0,1|1,0,0]=2 1038 B14R1.814 CC(=O)Nc1cccnc1NC(C)=O Amb9812501 [0,0,0,0,0,1|3,0,0]=4 1039 B14R1.814 CC(=O)Oc1ccccc1OC(C)=O Amb16193263 [0,0,0,0,0,1|1,0,0]=2 1040 B14R1.814 CC(C)Oc1ccccc1CC(=O)O Amb13952034 [0,0,0,0,0,1|1,0,1]=3 1041 B14R1.814 CC(C)Oc1ccccc1NC(N)=O Amb17235923 [0,0,0,0,0,1|2,0,1]=4 1042 B14R1.814 CC(C)Oc1cccnc1CC(=O)O Amb33313547 [0,0,0,0,0,1|2,0,1]=4 1043 B14R1.814 CN(C)Cc1ccccc1CC(=O)O Amb33802245 [0,0,0,0,0,1|3,0,0]=4 1044 B14R1.814 NC(=O)Cc1ccccc1CC(=O)O Amb32645963 [0,0,0,0,0,1|2,0,0]=3 1045 B14R1.814 NC(=O)Nc1ccccc1CC(=O)O Amb18299371 [0,0,0,0,0,1|2,0,0]=3 1046 B14R1.814 NC(=O)Nc1ccccc1NC(N)=O Amb27984959 [0,0,0,0,0,1|3,0,0]=4 1047 B14R1.814 O=C(O)Cc1ccccc1CC(=O)O Amb6298777 [0,0,0,0,0,1|2,0,0]=3 1048 B14R1.814 O=C(O)Cc1ccccc1OC(F)F Amb7764675 [0,0,0,0,0,1|2,0,1]=4 1049 B14R1.4522 C=C(Br)CCc1ccccc1C(=O)O Amb6299594 [0,0,0,0,0,1|2,0,1]=4 1050 B14R1.4522 C=C(C)CCc1ccccc1C(=O)O Amb6299595 [0,0,0,0,0,1|2,0,0]=3 1051 B14R1.4522 C=C(C)CNc1ccccc1C(C)=O Amb27979989 [0,0,0,0,0,1|3,0,0]=4 1052 B14R1.4522 C=C(C)CNc1ccccc1C(N)=O Amb24347935 [0,0,0,0,0,1|3,0,0]=4 1053 B14R1.4522 C=C(C)CNc1ccncc1C(=O)O Amb27796091 [0,0,0,0,0,1|3,0,0]=4 1054 B14R1.4522 C=C(C)CNc1ncccc1C(=O)O Amb27479753 [0,0,0,0,0,1|3,0,0]=4 1055 B14R1.4522 C=C(C)COc1ccccc1C(=O)O Amb2081547 [0,0,0,0,0,1|1,0,0]=2 1056 B14R1.4522 C=C(C)COc1ccccc1C(C)=O Amb6277285 [0,0,0,0,0,1|2,0,0]=3 1057 B14R1.4522 C=C(C)COc1ccccc1C(C)O Amb9364472 [0,0,0,0,0,1|2,0,1]=4 1058 B14R1.4522 C=C(Cl)CCc1ccccc1C(=O)O Amb6299592 [0,0,0,0,0,1|2,0,1]=4 1059 B14R1.4522 CC(=O)CCc1ccccc1[N+](=O)[O-] Amb9031574 [0,0,0,0,0,1|2,0,1]=4 1060 B14R1.4522 CC(=O)COc1ccccc1C(C)=O Amb18604479 [0,0,0,0,0,1|1,0,0]=2 1061 B14R1.4522 CC(=O)COc1ccccc1[N+](=O)[O-] Amb6370218 [0,0,0,0,0,1|1,0,1]=3 1062 B14R1.4522 CC(=O)CSc1ccccc1C(=O)O Amb436156 [0,0,0,0,0,1|0,1,0]=2 1063 B14R1.4522 CC(=O)CSc1ccccc1[N+](=O)[O-] Amb2624964 [0,0,0,0,0,1|1,1,1]=4 1064 B14R1.4522 CC(=O)CSc1ncccc1C(=O)O Amb6901856 [0,0,0,0,0,1|1,1,0]=3 1065 B14R1.4522 CC(=O)NCc1ccccc1B(O)O Amb29863061 [0,0,0,0,0,1|2,0,1]=4 1066 B14R1.4522 CC(=O)NNc1ccccc1[N+](=O)[O-] Amb3986097 [0,0,0,0,0,1|2,0,1]=4 1067 B14R1.4522 CC(=O)\C=C\c1ccccc1C(=O)O Amb17477544 [0,0,0,0,0,1|1,0,0]=2 1068 B14R1.4522 CC(=O)\C=C\c1ccccc1[N+](=O)[O-] Amb18564808 [0,0,0,0,0,1|2,0,1]=4 1069 B14R1.4522 CC(=O)c1ccccc1NCC(=O)O Amb24692784 [0,0,0,0,0,1|3,0,0]=4 1070 B14R1.4522 CC(=O)c1ccccc1NCC(N)=O Amb501414 [0,0,0,0,0,1|3,0,0]=4 1071 B14R1.4522 CC(=O)c1ccccc1OCC(=O)O Amb1280479 [0,0,0,0,0,1|2,0,0]=3 1072 B14R1.4522 CC(=O)c1ccccc1OCC(C)C Amb6264663 [0,0,0,0,0,1|2,0,1]=4 1073 B14R1.4522 CC(=O)c1ccccc1OCC(N)=O Amb6497616 [0,0,0,0,0,1|2,0,0]=3 1074 B14R1.4522 CC(=O)c1ccccc1\C=C\C(N)=O Amb25753580 [0,0,0,0,0,1|3,0,0]=4 1075 B14R1.4522 CC(C)=CCc1ccccc1C(=O)O Amb28069165 [0,0,0,0,0,1|2,0,0]=3 1076 B14R1.4522 CC(C)=NOc1ccccc1[N+](=O)[O-] Amb6368856 [0,0,0,0,0,1|2,0,1]=4 1077 B14R1.4522 CC(C)CNc1ccccc1C(=O)O Amb1109731 [0,0,0,0,0,1|2,0,1]=4 1078 B14R1.4522 CC(C)COc1ccccc1C(=O)Cl Amb17477464 [0,0,0,0,0,1|2,0,1]=4 1079 B14R1.4522 CC(C)COc1ccccc1C(=O)O Amb1124927 [0,0,0,0,0,1|1,0,1]=3 1080 B14R1.4522 CC(C)COc1ncccc1C(=O)O Amb6245484 [0,0,0,0,0,1|2,0,1]=4 1081 B14R1.4522 CC(C)CSc1ccccc1C(=O)O Amb1135348 [0,0,0,0,0,1|1,1,1]=4 1082 B14R1.4522 CC(C)NCc1ccccc1C(=O)O Amb19649751 [0,0,0,0,0,1|2,0,1]=4 1083 B14R1.4522 CC(C)OCc1ccccc1C(=O)O Amb9333076 [0,0,0,0,0,1|1,0,1]=3 1084 B14R1.4522 CN(C)CCc1ccccc1C(=O)O Amb28750811 [0,0,0,0,0,1|3,0,0]=4 1085 B14R1.4522 CN(C)\N=N\c1ccccc1C(=O)O Amb6608901 [0,0,0,0,0,1|3,0,0]=4 1086 B14R1.4522 N=C(N)c1ccccc1OCC(=O)O Amb31128474 [0,0,0,0,0,1|3,0,0]=4 1087 B14R1.4522 NC(=O)CNc1ccccc1C(N)=O Amb6892076 [0,0,0,0,0,1|3,0,0]=4 1088 B14R1.4522 NC(=O)COc1ccccc1C(=O)O Amb1245993 [0,0,0,0,0,1|1,0,0]=2 1089 B14R1.4522 NC(=O)COc1ccccc1[N+](=O)[O-] Amb6892050 [0,0,0,0,0,1|2,0,1]=4 1090 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O Amb1220938 [0,0,0,0,0,1|1,1,0]=3 1091 B14R1.4522 NC(=O)CSc1ncccc1C(=O)O Amb2357885 [0,0,0,0,0,1|2,1,0]=4 1092 B14R1.4522 NC(=O)NCc1ccccc1C(=O)O Amb27186254 [0,0,0,0,0,1|2,0,0]=3 1093 B14R1.4522 NC(=O)\C=C/c1ccccc1C(=O)O Amb27191691 [0,0,0,0,0,1|2,0,0]=3 1094 B14R1.4522 NC(=O)\C=C\c1ccccc1C(=O)O Amb27492894 [0,0,0,0,0,1|2,0,0]=3 1095 B14R1.4522 NC(=O)\C=C\c1ccccc1C(N)=O Amb27637743 [0,0,0,0,0,1|3,0,0]=4 1096 B14R1.4522 NC(=O)c1ccccc1CCC(=O)O Amb26304336 [0,0,0,0,0,1|3,0,0]=4 1097 B14R1.4522 NC(=O)c1ccccc1NCC(=O)O Amb6716192 [0,0,0,0,0,1|3,0,0]=4 1098 B14R1.4522 NC(=O)c1ccccc1OCC(=O)O Amb1201244 [0,0,0,0,0,1|2,0,0]=3 1099 B14R1.4522 NC(=S)CNc1ccccc1C(=O)O Amb27949593 [0,0,0,0,0,1|2,1,0]=4 1100 B14R1.4522 O=C(Cl)COc1ccccc1[N+](=O)[O-] Amb3939636 [0,0,0,0,0,1|2,0,1]=4 1101 B14R1.4522 O=C(O)C#Cc1ccccc1C(=O)O Amb32989926 [0,0,0,0,0,1|2,0,0]=3 1102 B14R1.4522 O=C(O)CCc1ccccc1C(=O)O Amb4303929 [0,0,0,0,0,1|2,0,0]=3 1103 B14R1.4522 O=C(O)CNc1ccccc1C(=O)O Amb1017148 [0,0,0,0,0,1|2,0,0]=3 1104 B14R1.4522 O=C(O)COc1ccccc1B(O)O Amb32946392 [0,0,0,0,0,1|2,0,1]=4 1105 B14R1.4522 O=C(O)COc1ccccc1C(=O)Cl Amb24069028 [0,0,0,0,0,1|2,0,0]=3 1106 B14R1.4522 O=C(O)COc1ccccc1C(=O)O Amb6358149 [0,0,0,0,0,1|1,0,0]=2 1107 B14R1.4522 O=C(O)COc1ccccc1N(=O)=O Amb20621868 [0,0,0,0,0,1|2,0,1]=4 1108 B14R1.4522 O=C(O)COc1ccccc1[N+](=O)[O-] Amb6334871 [0,0,0,0,0,1|2,0,1]=4 1109 B14R1.4522 O=C(O)COc1cccnc1C(=O)O Amb32946123 [0,0,0,0,0,1|2,0,0]=3 1110 B14R1.4522 O=C(O)COc1ncccc1C(=O)O Amb32946020 [0,0,0,0,0,1|2,0,0]=3 1111 B14R1.4522 O=C(O)CSc1ccccc1C(=O)O Amb6358166 [0,0,0,0,0,1|1,1,0]=3 1112 B14R1.4522 O=C(O)CSc1ncccc1C(=O)O Amb2522699 [0,0,0,0,0,1|2,1,0]=4 1113 B14R1.4522 O=C(O)\C=C\c1ccccc1C(=O)O Amb533192 [0,0,0,0,0,1|2,0,0]=3 1114 B14R1.4522 O=C(O)\C=C\c1ccncc1C(=O)O Amb25685334 [0,0,0,0,0,1|3,0,0]=4 1115 B14R1.4522 O=C(O)c1ccccc1OCC(F)F Amb9768715 [0,0,0,0,0,1|2,0,1]=4 1116 B14R1.4522 O=C(O)c1ccccc1\C=C\[N+](=O)[O-] Amb25781183 [0,0,0,0,0,1|3,0,0]=4 1117 B11R0.148 C\C=C\C=C\C=C\C=C\C(=O)O Amb10069454 [1,0,1,0,0,0|1,0,0]=3 1118 B11R1.41 C=CCc1ccccc1C=O Amb18124788 [2,0,0,0,0,0|1,0,1]=4 1119 B11R1.41 C=COc1ccccc1C=O Amb26334217 [2,0,0,0,0,0|0,0,1]=3 1120 B11R1.41 C=Cc1ccccc1NC=O Amb27856053 [2,0,0,0,0,0|2,0,0]=4 1121 B11R1.41 C=Cc1ccccc1OCC Amb26635795 [2,0,0,0,0,0|1,0,1]=4 1122 B11R1.41 CCNc1ccccc1C=O Amb18125011 [2,0,0,0,0,0|1,0,1]=4 1123 B11R1.41 CCOc1ccccc1C=O Amb845365 [2,0,0,0,0,0|0,0,1]=3 1124 B11R1.41 CCOc1ccccc1CO Amb3546826 [2,0,0,0,0,0|0,0,2]=4 1125 B11R1.41 CCOc1ccncc1C=O Amb21959251 [2,0,0,0,0,0|1,0,1]=4 1126 B11R1.41 CCOc1cnccc1C=O Amb26974721 [2,0,0,0,0,0|1,0,1]=4 1127 B11R1.41 CCOc1ncccc1C=O Amb4561136 [2,0,0,0,0,0|1,0,1]=4 1128 B11R1.41 CCSc1ccccc1C=O Amb18126446 [2,0,0,0,0,0|0,1,1]=4 1129 B11R1.41 COCc1ccccc1C=O Amb18644422 [2,0,0,0,0,0|2,0,0]=4 1130 B11R1.41 COSc1ccccc1C=O Amb28074650 [2,0,0,0,0,0|1,1,0]=4 1131 B11R1.41 N#COc1ccccc1C=O Amb25700946 [2,0,0,0,0,0|1,0,1]=4 1132 B11R1.41 O=CCc1ccccc1C=O Amb17593688 [2,0,0,0,0,0|1,0,0]=3 1133 B11R1.41 O=CNc1cccnc1C=O Amb27823154 [2,0,0,0,0,0|2,0,0]=4 1134 B11R1.41 O=CNc1ccncc1C=O Amb27229830 [2,0,0,0,0,0|2,0,0]=4 1135 B11R1.41 O=CNc1cnccc1C=O Amb27623279 [2,0,0,0,0,0|2,0,0]=4 1136 B11R1.41 O=Cc1ccccc1OCCl Amb27878777 [2,0,0,0,0,0|1,0,1]=4 1137 B11R1.86 C=C(C)Oc1ccccc1Cl Amb26611218 [2,0,0,0,0,0|2,0,0]=4 1138 B11R1.86 C=C(C)Sc1ccccc1O Amb18646620 [2,0,0,0,0,0|1,1,0]=4 1139 B11R1.86 CC(=O)CN1C=CC=CC1=O Amb18177167 [2,0,0,0,0,0|2,0,0]=4 1140 B11R1.86 CC(=O)CN1C=CC=CC1=O Amb28652828 [2,0,0,0,0,0|2,0,0]=4 1141 B11R1.86 CC(=O)Cc1ccccc1Br Amb6365737 [2,0,0,0,0,0|2,0,0]=4 1142 B11R1.86 CC(=O)Cc1ccccc1C Amb5751053 [2,0,0,0,0,0|1,0,1]=4 1143 B11R1.86 CC(=O)Cc1ccccc1Cl Amb2724208 [2,0,0,0,0,0|2,0,0]=4 1144 B11R1.86 CC(=O)Cc1ccccc1F Amb5751055 [2,0,0,0,0,0|2,0,0]=4 1145 B11R1.86 CC(=O)Cc1ccccc1I Amb24431271 [2,0,0,0,0,0|2,0,0]=4 1146 B11R1.86 CC(=O)Cc1ccccc1N Amb8439140 [2,0,0,0,0,0|2,0,0]=4 1147 B11R1.86 CC(=O)Cc1ccccc1O Amb18041942 [2,0,0,0,0,0|1,0,0]=3 1148 B11R1.86 CC(=O)NC1=CC=CNC1=O Amb22747067 [2,0,0,0,0,0|2,0,0]=4 1149 B11R1.86 CC(=O)Nc1ccccc1Br Amb2611397 [2,0,0,0,0,0|2,0,0]=4 1150 B11R1.86 CC(=O)Nc1ccccc1C Amb6346350 [2,0,0,0,0,0|1,0,1]=4 1151 B11R1.86 CC(=O)Nc1ccccc1Cl Amb6349758 [2,0,0,0,0,0|2,0,0]=4 1152 B11R1.86 CC(=O)Nc1ccccc1F Amb2444091 [2,0,0,0,0,0|2,0,0]=4 1153 B11R1.86 CC(=O)Nc1ccccc1I Amb2652722 [2,0,0,0,0,0|2,0,0]=4 1154 B11R1.86 CC(=O)Nc1ccccc1N Amb1121033 [2,0,0,0,0,0|2,0,0]=4 1155 B11R1.86 CC(=O)Nc1ccccc1O Amb1212257 [2,0,0,0,0,0|1,0,0]=3 1156 B11R1.86 CC(=O)Nc1ccccc1S Amb16186713 [2,0,0,0,0,0|1,1,0]=4 1157 B11R1.86 CC(=O)Nc1ccncc1O Amb13889918 [2,0,0,0,0,0|2,0,0]=4 1158 B11R1.86 CC(=O)Nc1cnccc1O Amb13889919 [2,0,0,0,0,0|2,0,0]=4 1159 B11R1.86 CC(=O)Nc1ncccc1O Amb8630319 [2,0,0,0,0,0|2,0,0]=4 1160 B11R1.86 CC(=O)Oc1cccc[n+]1[O-] Amb27661878 [2,0,0,0,0,0|1,0,1]=4 1161 B11R1.86 CC(=O)Oc1ccccc1Br Amb20242519 [2,0,0,0,0,0|1,0,0]=3 1162 B11R1.86 CC(=O)Oc1ccccc1Cl Amb3123033 [2,0,0,0,0,0|1,0,0]=3 1163 B11R1.86 CC(=O)Oc1ccccc1F Amb10605688 [2,0,0,0,0,0|1,0,0]=3 1164 B11R1.86 CC(=O)Oc1ccccc1I Amb10975213 [2,0,0,0,0,0|1,0,0]=3 1165 B11R1.86 CC(=O)Oc1ccccc1O Amb18125344 [2,0,0,0,0,0|0,0,0]=2 1166 B11R1.86 CC(=O)Oc1cccnc1Br Amb4017668 [2,0,0,0,0,0|2,0,0]=4 1167 B11R1.86 CC(=O)Oc1cccnc1Cl Amb28188019 [2,0,0,0,0,0|2,0,0]=4 1168 B11R1.86 CC(=O)Oc1cccnc1I Amb2405507 [2,0,0,0,0,0|2,0,0]=4 1169 B11R1.86 CC(=O)Oc1cnccc1Br Amb23412302 [2,0,0,0,0,0|2,0,0]=4 1170 B11R1.86 CC(=O)Oc1cnccc1I Amb28052820 [2,0,0,0,0,0|2,0,0]=4 1171 B11R1.86 CC(=O)Oc1ncccc1Cl Amb27869965 [2,0,0,0,0,0|2,0,0]=4 1172 B11R1.86 CC(=O)Sc1ccccc1C Amb25189277 [2,0,0,0,0,0|0,1,1]=4 1173 B11R1.86 CC(C)Oc1ccccc1O Amb2725468 [2,0,0,0,0,0|1,0,1]=4 1174 B11R1.86 Cc1ccccc1OC(=O)Cl Amb24055454 [2,0,0,0,0,0|1,0,1]=4 1175 B11R1.86 NC(=O)Cc1ccccc1O Amb4020853 [2,0,0,0,0,0|2,0,0]=4 1176 B11R1.86 NC(=O)Nc1ccccc1O Amb18125361 [2,0,0,0,0,0|2,0,0]=4 1177 B11R1.86 NC(=O)Oc1ccccc1O Amb27148270 [2,0,0,0,0,0|1,0,0]=3 1178 B11R1.86 O=C(Cl)Cc1ccccc1O Amb27477566 [2,0,0,0,0,0|2,0,0]=4 1179 B11R1.86 O=C(Cl)Oc1ccccc1Br Amb28365355 [2,0,0,0,0,0|2,0,0]=4 1180 B11R1.86 O=C(Cl)Oc1ccccc1Cl Amb10844668 [2,0,0,0,0,0|2,0,0]=4 1181 B11R1.86 O=C(Cl)Oc1ccccc1F Amb26641132 [2,0,0,0,0,0|2,0,0]=4 1182 B11R1.86 O=C(Cl)Oc1ccccc1I Amb28313136 [2,0,0,0,0,0|2,0,0]=4 1183 B11R1.86 O=C(O)Cc1ccccc1O Amb2388914 [2,0,0,0,0,0|2,0,0]=4 1184 B11R1.86 O=[PH](O)Oc1ccccc1O Amb28122429 [2,0,0,0,0,0|2,0,0]=4 1185 B11R1.53 C#Cc1ccccc1C(=O)O Amb10068419 [2,0,0,0,0,0|0,0,2]=4 1186 B11R1.53 C=C(Br)c1ccccc1OC Amb22736847 [2,0,0,0,0,0|2,0,0]=4 1187 B11R1.53 C=C(I)c1ccccc1OC Amb28246087 [2,0,0,0,0,0|2,0,0]=4 1188 B11R1.53 C=Cc1ccccc1C(=O)O Amb16185425 [2,0,0,0,0,0|0,0,1]=3 1189 B11R1.53 C=Cc1ccccc1C(C)=O Amb17593659 [2,0,0,0,0,0|1,0,1]=4 1190 B11R1.53 C=Cc1cccnc1C(=O)O Amb27248247 [2,0,0,0,0,0|1,0,1]=4 1191 B11R1.53 C=Cc1ccncc1C(=O)O Amb26978462 [2,0,0,0,0,0|1,0,1]=4 1192 B11R1.53 C=Cc1ncccc1C(=O)O Amb25085304 [2,0,0,0,0,0|1,0,1]=4 1193 B11R1.53 CC(=O)c1ccccc1N=O Amb25695758 [2,0,0,0,0,0|2,0,0]=4 1194 B11R1.53 CC(O)c1ccccc1C=O Amb27876336 [2,0,0,0,0,0|1,0,1]=4 1195 B11R1.53 CCc1ccccc1C(=O)O Amb3940731 [2,0,0,0,0,0|0,0,1]=3 1196 B11R1.53 CCc1ccccc1C(C)=O Amb17470383 [2,0,0,0,0,0|1,0,1]=4 1197 B11R1.53 CCc1ccccc1C(N)=O Amb33539272 [2,0,0,0,0,0|1,0,1]=4 1198 B11R1.53 CCc1cccnc1C(=O)O Amb30584721 [2,0,0,0,0,0|1,0,1]=4 1199 B11R1.53 CCc1ccncc1C(=O)O Amb18201753 [2,0,0,0,0,0|1,0,1]=4 1200 B11R1.53 CCc1cnccc1C(=O)O Amb21857954 [2,0,0,0,0,0|1,0,1]=4 1201 B11R1.53 CCc1cnccc1C(=O)O Amb30584719 [2,0,0,0,0,0|1,0,1]=4 1202 B11R1.53 CCc1ncccc1C(=O)O Amb18201760 [2,0,0,0,0,0|1,0,1]=4 1203 B11R1.53 CNc1ccccc1C(=O)O Amb1209109 [2,0,0,0,0,0|1,0,0]=3 1204 B11R1.53 CNc1ccccc1C(C)=O Amb22057822 [2,0,0,0,0,0|2,0,0]=4 1205 B11R1.53 CNc1ccccc1C(N)=O Amb1209391 [2,0,0,0,0,0|2,0,0]=4 1206 B11R1.53 CNc1cccnc1C(=O)O Amb22396326 [2,0,0,0,0,0|2,0,0]=4 1207 B11R1.53 CNc1ccncc1C(=O)O Amb23440762 [2,0,0,0,0,0|2,0,0]=4 1208 B11R1.53 CNc1cnccc1C(=O)O Amb25904787 [2,0,0,0,0,0|2,0,0]=4 1209 B11R1.53 CNc1ncccc1C(=O)O Amb2795550 [2,0,0,0,0,0|2,0,0]=4 1210 B11R1.53 COc1ccccc1B(O)O Amb2383496 [2,0,0,0,0,0|1,0,1]=4 1211 B11R1.53 COc1ccccc1C(=N)N Amb22494243 [2,0,0,0,0,0|2,0,0]=4 1212 B11R1.53 COc1ccccc1C(=N)N Amb2696305 [2,0,0,0,0,0|2,0,0]=4 1213 B11R1.53 COc1ccccc1C(=N)N Amb8630187 [2,0,0,0,0,0|2,0,0]=4 1214 B11R1.53 COc1ccccc1C(=O)Cl Amb3429823 [2,0,0,0,0,0|1,0,0]=3 1215 B11R1.53 COc1ccccc1C(=O)F Amb27860257 [2,0,0,0,0,0|1,0,0]=3 1216 B11R1.53 COc1ccccc1C(=O)O Amb2592793 [2,0,0,0,0,0|0,0,0]=2 1217 B11R1.53 COc1ccccc1C(C)=O Amb2209367 [2,0,0,0,0,0|1,0,0]=3 1218 B11R1.53 COc1ccccc1C(C)O Amb2689207 [2,0,0,0,0,0|1,0,1]=4 1219 B11R1.53 COc1ccccc1C(N)=O Amb3564650 [2,0,0,0,0,0|1,0,0]=3 1220 B11R1.53 COc1ccccc1C(N)=S Amb1216517 [2,0,0,0,0,0|1,1,0]=4 1221 B11R1.53 COc1ccccc1S(=O)O Amb18862871 [2,0,0,0,0,0|1,0,0]=3 1222 B11R1.53 COc1ccccc1S(=O)[O-] Amb10610173 [2,0,0,0,0,0|1,0,1]=4 1223 B11R1.53 COc1ccccc1S(C)=O Amb19892204 [2,0,0,0,0,0|2,0,0]=4 1224 B11R1.53 COc1ccccc1[C@@H](C)O Amb6893452 [2,0,0,0,0,0|1,0,1]=4 1225 B11R1.53 COc1ccccc1[C@H](C)O Amb6893451 [2,0,0,0,0,0|1,0,1]=4 1226 B11R1.53 COc1ccccc1[N+](=O)[O-] Amb6608806 [2,0,0,0,0,0|1,0,1]=4 1227 B11R1.53 COc1cccnc1C(=O)O Amb10842137 [2,0,0,0,0,0|1,0,0]=3 1228 B11R1.53 COc1cccnc1C(C)=O Amb21963735 [2,0,0,0,0,0|2,0,0]=4 1229 B11R1.53 COc1ccncc1C(=O)O Amb21964513 [2,0,0,0,0,0|1,0,0]=3 1230 B11R1.53 COc1ccncc1C(C)=O Amb22728571 [2,0,0,0,0,0|2,0,0]=4 1231 B11R1.53 COc1ccnnc1C(=O)O Amb27475955 [2,0,0,0,0,0|2,0,0]=4 1232 B11R1.53 COc1cnccc1C(=O)O Amb16230607 [2,0,0,0,0,0|1,0,0]=3 1233 B11R1.53 COc1cnccc1C(C)=O Amb21857120 [2,0,0,0,0,0|2,0,0]=4 1234 B11R1.53 COc1cnccc1C(N)=O Amb23412272 [2,0,0,0,0,0|2,0,0]=4 1235 B11R1.53 COc1ncccc1C(=O)O Amb1130324 [2,0,0,0,0,0|1,0,0]=3 1236 B11R1.53 COc1ncccc1C(=O)[O-] Amb33512971 [2,0,0,0,0,0|1,0,1]=4 1237 B11R1.53 COc1ncccc1C(C)=O Amb18201742 [2,0,0,0,0,0|2,0,0]=4 1238 B11R1.53 COc1ncccc1C(N)=O Amb8858823 [2,0,0,0,0,0|2,0,0]=4 1239 B11R1.53 COc1nccnc1C(=O)O Amb18287071 [2,0,0,0,0,0|2,0,0]=4 1240 B11R1.53 COc1ncncc1C(=O)O Amb18125642 [2,0,0,0,0,0|2,0,0]=4 1241 B11R1.53 CS(=O)c1ccccc1C=O Amb18126524 [2,0,0,0,0,0|2,0,0]=4 1242 B11R1.53 CSc1ccccc1C(=O)Cl Amb10879591 [2,0,0,0,0,0|1,1,0]=4 1243 B11R1.53 CSc1ccccc1C(=O)O Amb6357476 [2,0,0,0,0,0|0,1,0]=3 1244 B11R1.53 CSc1ccccc1C(C)=O Amb18180109 [2,0,0,0,0,0|1,1,0]=4 1245 B11R1.53 CSc1ccccc1C(N)=O Amb3709825 [2,0,0,0,0,0|1,1,0]=4 1246 B11R1.53 CSc1cccnc1C(=O)O Amb25138723 [2,0,0,0,0,0|1,1,0]=4 1247 B11R1.53 CSc1cnccc1C(=O)O Amb27878610 [2,0,0,0,0,0|1,1,0]=4 1248 B11R1.53 CSc1ncccc1C(=O)O Amb1242848 [2,0,0,0,0,0|1,1,0]=4 1249 B11R1.53 C\C=C1/C=CC=C/C1=C(/C)O Amb27848191 [2,0,0,0,0,0|1,0,0]=3 1250 B11R1.53 C\C=C1\C=CC=C\C1=C(\C)O Amb27875406 [2,0,0,0,0,0|1,0,0]=3 1251 B11R1.53 N#Cc1ccccc1C(=O)O Amb1971492 [2,0,0,0,0,0|1,0,1]=4 1252 B11R1.53 N=Cc1ccccc1C(=O)O Amb27413879 [2,0,0,0,0,0|1,0,0]=3 1253 B11R1.53 NC(=O)c1ccccc1C=O Amb25865237 [2,0,0,0,0,0|1,0,0]=3 1254 B11R1.53 NC(=O)c1cccnc1C=O Amb27962547 [2,0,0,0,0,0|2,0,0]=4 1255 B11R1.53 NCc1ccccc1C(=O)O Amb1092013 [2,0,0,0,0,0|1,0,1]=4 1256 B11R1.53 NCc1ccccc1C(=O)O Amb21955326 [2,0,0,0,0,0|1,0,1]=4 1257 B11R1.53 NNc1ccccc1C(=O)O Amb1202653 [2,0,0,0,0,0|2,0,0]=4 1258 B11R1.53 NNc1ccccc1C(=O)O Amb2235199 [2,0,0,0,0,0|2,0,0]=4 1259 B11R1.53 O=C(O)c1ccccc1CBr Amb1935113 [2,0,0,0,0,0|1,0,1]=4 1260 B11R1.53 O=C(O)c1ccccc1CCl Amb6892775 [2,0,0,0,0,0|1,0,1]=4 1261 B11R1.53 O=C(O)c1ccccc1CF Amb25109949 [2,0,0,0,0,0|1,0,1]=4 1262 B11R1.53 O=C(O)c1ccccc1CO Amb33529359 [2,0,0,0,0,0|0,0,2]=4 1263 B11R1.53 O=C(O)c1ccccc1CS Amb17498634 [2,0,0,0,0,0|0,1,1]=4 1264 B11R1.53 O=C(O)c1ccccc1NO Amb26512688 [2,0,0,0,0,0|1,0,1]=4 1265 B11R1.53 O=C(O)c1ccccc1SCl Amb28136748 [2,0,0,0,0,0|1,1,0]=4 1266 B11R1.53 O=Cc1ccccc1B(O)O Amb2447093 [2,0,0,0,0,0|1,0,1]=4 1267 B11R1.53 O=Cc1ccccc1C(=O)O Amb2568292 [2,0,0,0,0,0|0,0,0]=2 1268 B11R1.53 O=Cc1ccccc1N(=O)=O Amb20621765 [2,0,0,0,0,0|1,0,1]=4 1269 B11R1.53 O=Cc1ccccc1S(=O)O Amb27823415 [2,0,0,0,0,0|1,0,0]=3 1270 B11R1.53 O=Cc1ccccc1[N+](=O)[O-] Amb2611310 [2,0,0,0,0,0|1,0,1]=4 1271 B11R1.53 O=Cc1ccccc1[SH](=O)=O Amb27226994 [2,0,0,0,0,0|1,0,1]=4 1272 B11R1.53 O=Cc1cccnc1C(=O)O Amb33544128 [2,0,0,0,0,0|1,0,0]=3 1273 B11R1.53 O=Cc1ccncc1C(=O)O Amb7172756 [2,0,0,0,0,0|1,0,0]=3 1274 B11R1.53 O=Cc1cnccc1C(=O)O Amb23559759 [2,0,0,0,0,0|1,0,0]=3 1275 B11R1.53 O=Cc1ncccc1C(=O)O Amb22001968 [2,0,0,0,0,0|1,0,0]=3 1276 B11R1.53 O=Cc1ncccc1C(=O)O Amb32721603 [2,0,0,0,0,0|1,0,0]=3 1277 B11R1.53 O=Nc1ccccc1C(=O)O Amb17593754 [2,0,0,0,0,0|1,0,0]=3 1278 B11R1.53 O=[IH2]c1ccccc1C(=O)O Amb9809713 [2,0,0,0,0,0|1,0,0]=3 1279 B11R1.53 [C-]#[N+]c1ccccc1C(=O)O Amb28125730 [2,0,0,0,0,0|1,0,1]=4 1280 B11R1.53 [NH3+]Nc1ccccc1C(=O)O Amb6365989 [2,0,0,0,0,0|2,0,0]=4 1281 B13R1.51 C=Cc1cc(Br)ccc1OC(C)=O Amb27597503 [1,1,0,0,0,0|1,0,0]=3 1282 B13R1.51 CC(=O)Cc1ccc(Br)cc1C=O Amb24696769 [1,1,0,0,0,0|1,0,0]=3 1283 B13R1.51 CC(=O)Cc1ccc(Br)cc1CO Amb27463485 [1,1,0,0,0,0|1,0,1]=4 1284 B13R1.51 CC(=O)Cc1ccc(C)cc1C=O Amb24528061 [1,1,0,0,0,0|1,0,0]=3 1285 B13R1.51 CC(=O)Cc1ccc(I)cc1C=O Amb28284212 [1,1,0,0,0,0|1,0,0]=3 1286 B13R1.51 CC(=O)Cc1ccc(I)cc1CO Amb28130552 [1,1,0,0,0,0|1,0,1]=4 1287 B13R1.51 CC(=O)Cc1ccc(O)cc1C=O Amb27795084 [1,1,0,0,0,0|1,0,0]=3 1288 B13R1.51 CC(=O)Cc1ccc(O)cc1CO Amb27462256 [1,1,0,0,0,0|1,0,1]=4 1289 B13R1.51 CC(=O)Cc1ccc(S)cc1CO Amb28247270 [1,1,0,0,0,0|1,0,1]=4 1290 B13R1.51 CC(=O)Nc1ccc(Br)cc1C=O Amb32723950 [1,1,0,0,0,0|1,0,0]=3 1291 B13R1.51 CC(=O)Nc1ccc(Br)cc1CO Amb25042665 [1,1,0,0,0,0|1,0,1]=4 1292 B13R1.51 CC(=O)Nc1ccc(C)cc1C=O Amb18127904 [1,1,0,0,0,0|1,0,0]=3 1293 B13R1.51 CC(=O)Nc1ccc(C)nc1C=O Amb27201639 [1,1,0,0,0,0|2,0,0]=4 1294 B13R1.51 CC(=O)Nc1ccc(Cl)cc1C=O Amb18130448 [1,1,0,0,0,0|1,0,0]=3 1295 B13R1.51 CC(=O)Nc1ccc(F)cc1C=O Amb28326267 [1,1,0,0,0,0|1,0,0]=3 1296 B13R1.51 CC(=O)Oc1ccc(Br)cc1C#N Amb8426509 [1,1,0,0,0,0|1,0,1]=4 1297 B13R1.51 CC(=O)Oc1ccc(Cl)cc1C#N Amb8426506 [1,1,0,0,0,0|1,0,1]=4 1298 B13R1.51 CC(C)Oc1ccc(Br)cc1C=O Amb6496330 [1,1,0,0,0,0|1,0,1]=4 1299 B13R1.51 CC(C)Oc1ccc(Cl)cc1C=O Amb6550861 [1,1,0,0,0,0|1,0,1]=4 1300 B13R1.51 CC(C)Oc1ccc(F)cc1C=O Amb8945716 [1,1,0,0,0,0|1,0,1]=4 1301 B13R1.51 CC(C)Oc1ccc(O)cc1C=O Amb28243619 [1,1,0,0,0,0|1,0,1]=4 1302 B13R1.51 CCc1cc(Br)ccc1OC(C)=O Amb22551030 [1,1,0,0,0,0|1,0,1]=4 1303 B13R1.51 COc1cc(Br)ccc1OC(C)=O Amb23590110 [1,1,0,0,0,0|2,0,0]=4 1304 B13R1.51 COc1cc(C)ccc1OC(C)=O Amb27188504 [1,1,0,0,0,0|2,0,0]=4 1305 B13R1.51 Cc1ccc(OC(=O)Cl)c(C=O)n1 Amb33297297 [1,1,0,0,0,0|2,0,0]=4 1306 B13R1.51 Cc1ccc(OC(C)C)c(C=O)c1 Amb19962147 [1,1,0,0,0,0|1,0,1]=4 1307 B13R1.51 O=Cc1cc(Br)ccc1OC(=O)Cl Amb33296825 [1,1,0,0,0,0|1,0,0]=3 1308 B13R1.51 O=Cc1cc(Cl)ccc1OC(=O)Cl Amb33297013 [1,1,0,0,0,0|1,0,0]=3 1309 B13R1.51 O=Cc1cc(F)ccc1CC(=O)O Amb27236261 [1,1,0,0,0,0|2,0,0]=4 1310 B13R1.51 O=Cc1cc(F)ccc1OC(=O)Cl Amb33296803 [1,1,0,0,0,0|1,0,0]=3 1311 B13R1.89 CC(=O)C(Br)c1ccccc1CO Amb27192451 [1,1,0,0,0,0|1,0,1]=4 1312 B13R1.89 CC(=O)C(N)c1ccccc1CO Amb27413018 [1,1,0,0,0,0|1,0,1]=4 1313 B13R1.89 CC(=O)N(C)c1ccccc1C=O Amb27403479 [1,1,0,0,0,0|1,0,0]=3 1314 B13R1.91 C=CC(C)Oc1ccccc1C=O Amb18804547 [1,1,0,0,0,0|1,0,1]=4 1315 B13R1.91 CCC(=O)Nc1ccccc1CO Amb8452600 [1,1,0,0,0,0|1,0,1]=4 1316 B13R1.91 CCC(=O)Nc1ncccc1C=O Amb27600951 [1,1,0,0,0,0|2,0,0]=4 1317 B13R1.91 CCC(=O)Oc1ccccc1C=O Amb17129203 [1,1,0,0,0,0|0,0,0]=2 1318 B13R1.91 CCC(=O)Oc1ccccc1OC Amb24079979 [1,1,0,0,0,0|2,0,0]=4 1319 B13R1.91 CCC(C)Oc1ccccc1C=O Amb9770242 [1,1,0,0,0,0|1,0,1]=4 1320 B13R1.91 CCc1ccccc1OC(=O)CN Amb17335317 [1,1,0,0,0,0|1,0,1]=4 1321 B13R1.91 CCc1ccccc1OC(=O)NC Amb27849649 [1,1,0,0,0,0|1,0,1]=4 1322 B13R1.91 CNC(=O)Oc1ccccc1CCl Amb27984758 [1,1,0,0,0,0|1,0,1]=4 1323 B13R1.91 CNC(=O)Oc1ccccc1CO Amb23440453 [1,1,0,0,0,0|0,0,1]=3 1324 B13R1.91 CNC(=O)Oc1ccccc1OC Amb26632219 [1,1,0,0,0,0|2,0,0]=4 1325 B13R1.91 COC(=O)Cc1ccccc1C=O Amb16233254 [1,1,0,0,0,0|1,0,0]=3 1326 B13R1.91 COC(=O)Nc1ccccc1CO Amb18181289 [1,1,0,0,0,0|1,0,1]=4 1327 B13R1.91 COC(=O)Nc1ccccc1N=O Amb28341010 [1,1,0,0,0,0|2,0,0]=4 1328 B13R1.91 COc1ccccc1OC(=O)CN Amb19115310 [1,1,0,0,0,0|2,0,0]=4 1329 B13R1.91 O=C(CCl)Nc1ccccc1CO Amb9565931 [1,1,0,0,0,0|1,0,1]=4 1330 B13R1.91 O=Cc1ccccc1NC(=O)CCl Amb18130449 [1,1,0,0,0,0|1,0,0]=3 1331 B13R1.91 O=Cc1ccccc1OC(=O)CCl Amb17129248 [1,1,0,0,0,0|0,0,0]=2 1332 B13R1.115 CC(=O)Cc1cccc(Br)c1C=O Amb26990220 [1,1,0,0,0,0|1,0,0]=3 1333 B13R1.115 CC(=O)Cc1cccc(Br)c1CO Amb26593530 [1,1,0,0,0,0|1,0,1]=4 1334 B13R1.115 CC(=O)Cc1cccc(C)c1C=O Amb24539772 [1,1,0,0,0,0|1,0,0]=3 1335 B13R1.115 CC(=O)Cc1cccc(C)c1CO Amb27963905 [1,1,0,0,0,0|1,0,1]=4 1336 B13R1.115 CC(=O)Cc1cccc(Cl)c1C=O Amb28196025 [1,1,0,0,0,0|1,0,0]=3 1337 B13R1.115 CC(=O)Cc1cccc(I)c1C=O Amb27439359 [1,1,0,0,0,0|1,0,0]=3 1338 B13R1.115 CC(=O)Nc1cccc(C)c1C=O Amb32723953 [1,1,0,0,0,0|1,0,0]=3 1339 B13R1.115 CC(=O)Nc1cccc(C)c1CO Amb27876200 [1,1,0,0,0,0|1,0,1]=4 1340 B13R1.115 CC(=O)Nc1cccc(Cl)c1CO Amb27623229 [1,1,0,0,0,0|1,0,1]=4 1341 B13R1.115 CC(=O)Nc1cccc(F)c1C=O Amb27469799 [1,1,0,0,0,0|1,0,0]=3 1342 B13R1.115 CC(=O)Nc1nccc(C)c1C=O Amb27794827 [1,1,0,0,0,0|2,0,0]=4 1343 B13R1.115 CC(=O)Oc1cccc(Cl)c1C=O Amb27257877 [1,1,0,0,0,0|0,0,0]=2 1344 B13R1.115 CC(=O)Oc1cccc(F)c1C#N Amb27589509 [1,1,0,0,0,0|1,0,1]=4 1345 B13R1.115 Cc1cccc(CC(=O)O)c1C=O Amb18195566 [1,1,0,0,0,0|2,0,0]=4 1346 B13R1.115 O=Cc1c(F)cccc1CC(=O)O Amb18823851 [1,1,0,0,0,0|2,0,0]=4 1347 B13R1.380 C=CCc1ccccc1OC(=O)Cl Amb33297027 [1,1,0,0,0,0|2,0,0]=4 1348 B13R1.380 CC(=O)Nc1ccccc1CCO Amb22523486 [1,1,0,0,0,0|1,0,1]=4 1349 B13R1.380 CC(=O)Nc1ccccc1\C=C\Br Amb33135173 [1,1,0,0,0,0|2,0,0]=4 1350 B13R1.380 CC(=O)Nc1ccccc1\C=C\Cl Amb27878645 [1,1,0,0,0,0|2,0,0]=4 1351 B13R1.380 CC(=O)Nc1ccccc1\C=N\O Amb27782390 [1,1,0,0,0,0|1,0,0]=3 1352 B13R1.380 CC(C)Oc1ccccc1CC=O Amb33079771 [1,1,0,0,0,0|1,0,1]=4 1353 B13R1.380 CC(C)Oc1ccccc1\C=N\O Amb385407 [1,1,0,0,0,0|1,0,1]=4 1354 B13R1.380 COCc1ccccc1OC(=O)Cl Amb33297201 [1,1,0,0,0,0|1,0,1]=4 1355 B13R1.380 NC(=O)Nc1ccccc1\C=N\O Amb27471956 [1,1,0,0,0,0|2,0,0]=4 1356 B13R1.380 O=C(O)Cc1ccccc1\C=N\O Amb27489077 [1,1,0,0,0,0|2,0,0]=4 1357 B13R1.622 CC(C)(C)Oc1ccccc1C=O Amb2683362 [1,1,0,0,0,0|1,0,1]=4 1358 B13R1.622 CS(=O)(=O)Nc1ccccc1C=O Amb17935682 [1,1,0,0,0,0|2,0,0]=4 1359 B13R1.622 CS(=O)(=O)Oc1ccccc1C=O Amb22450082 [1,1,0,0,0,0|1,0,0]=3 1360 B13R1.622 C[Si](C)(C)Oc1ccccc1C=O Amb10071256 [1,1,0,0,0,0|1,1,0]=4 1361 B13R1.622 NS(=O)(=O)Oc1ccccc1C=O Amb27748885 [1,1,0,0,0,0|2,0,0]=4 1362 B13R1.2135 CC(=O)Cc1c(C)cccc1C=O Amb25980292 [1,1,0,0,0,0|1,0,0]=3 1363 B13R1.2135 CC(=O)Cc1c(C)cccc1CO Amb27871551 [1,1,0,0,0,0|1,0,1]=4 1364 B13R1.2135 CC(=O)Cc1c(Cl)cccc1CO Amb27844434 [1,1,0,0,0,0|1,0,1]=4 1365 B13R1.2135 CC(=O)Cc1c(F)cccc1C=O Amb27423500 [1,1,0,0,0,0|1,0,0]=3 1366 B13R1.2135 CC(=O)Nc1c(C)cccc1C=O Amb26464082 [1,1,0,0,0,0|1,0,0]=3 1367 B13R1.2135 CC(=O)Oc1c(C)cccc1C#N Amb23596365 [1,1,0,0,0,0|1,0,1]=4 1368 B13R1.2135 CC(=O)Oc1c(C)cccc1C=O Amb23575820 [1,1,0,0,0,0|0,0,0]=2 1369 B13R1.2135 CC(C)Oc1c(Cl)cccc1C=O Amb25370769 [1,1,0,0,0,0|1,0,1]=4 1370 B13R1.2135 CC(C)Oc1c(F)cccc1C=O Amb24443552 [1,1,0,0,0,0|1,0,1]=4 1371 B13R1.2135 Cc1cccc(C=O)c1OC(C)C Amb23287034 [1,1,0,0,0,0|1,0,1]=4 1372 B13R1.2135 Nc1cccc(C=O)c1CC(=O)O Amb18194796 [1,1,0,0,0,0|2,0,0]=4 1373 B13R1.2135 O=Cc1cccc(Br)c1OC(=O)Cl Amb33297041 [1,1,0,0,0,0|1,0,0]=3 1374 B13R1.2135 O=Cc1cccc(Cl)c1OC(=O)Cl Amb33297063 [1,1,0,0,0,0|1,0,0]=3 1375 B13R1.3089 CC(=O)Cc1cc(Br)ccc1C=O Amb25922278 [1,1,0,0,0,0|1,0,0]=3 1376 B13R1.3089 CC(=O)Cc1cc(Br)ccc1CO Amb27631631 [1,1,0,0,0,0|1,0,1]=4 1377 B13R1.3089 CC(=O)Cc1cc(C)ccc1C=O Amb24528060 [1,1,0,0,0,0|1,0,0]=3 1378 B13R1.3089 CC(=O)Cc1cc(C)ccc1CO Amb27632953 [1,1,0,0,0,0|1,0,1]=4 1379 B13R1.3089 CC(=O)Cc1cc(Cl)ccc1C=O Amb27844739 [1,1,0,0,0,0|1,0,0]=3 1380 B13R1.3089 CC(=O)Cc1cc(Cl)ccc1CO Amb27844542 [1,1,0,0,0,0|1,0,1]=4 1381 B13R1.3089 CC(=O)Cc1cc(S)ccc1C=O Amb27487775 [1,1,0,0,0,0|1,0,0]=3 1382 B13R1.3089 CC(=O)NC1=CC(=O)C=C\C1=N\O Amb28428473 [1,1,0,0,0,0|2,0,0]=4 1383 B13R1.3089 CC(=O)Nc1cc(Br)ccc1C=O Amb32684898 [1,1,0,0,0,0|1,0,0]=3 1384 B13R1.3089 CC(=O)Nc1cc(Cl)ccc1C=O Amb27793058 [1,1,0,0,0,0|1,0,0]=3 1385 B13R1.3089 CC(=O)Nc1cc(Cl)ccc1CO Amb27401180 [1,1,0,0,0,0|1,0,1]=4 1386 B13R1.3089 CC(=O)Nc1cc(F)ccc1C=O Amb25255592 [1,1,0,0,0,0|1,0,0]=3 1387 B13R1.3089 CC(C)Oc1cc(Br)ccc1C=O Amb9025359 [1,1,0,0,0,0|1,0,1]=4 1388 B13R1.3089 CC(C)Oc1cc(Cl)ccc1C=O Amb27144259 [1,1,0,0,0,0|1,0,1]=4 1389 B13R1.3089 CC(C)Oc1cc(O)ccc1C=O Amb23569449 [1,1,0,0,0,0|1,0,1]=4 1390 B13R1.3089 COc1ccc(Br)cc1OC(C)=O Amb22463042 [1,1,0,0,0,0|2,0,0]=4 1391 B13R1.3089 COc1ccc(O)cc1OC(C)=O Amb22055683 [1,1,0,0,0,0|2,0,0]=4 1392 B13R1.3089 Cc1ccc(C=O)c(OC(C)C)c1 Amb32411717 [1,1,0,0,0,0|1,0,1]=4 1393 B13R1.3089 Nc1ccc(C=O)c(CC(=O)O)c1 Amb18194802 [1,1,0,0,0,0|2,0,0]=4 1394 B13R1.141 C=COc1ccc(Br)cc1C(C)=O Amb28454524 [1,1,0,0,0,0|1,0,1]=4 1395 B13R1.141 C=COc1ccc(Cl)cc1C(=O)O Amb28119789 [1,1,0,0,0,0|0,0,1]=3 1396 B13R1.141 CCNc1ccc(Br)cc1C(=O)O Amb841583 [1,1,0,0,0,0|1,0,1]=4 1397 B13R1.141 CCNc1ccc(C)cc1C(=O)O Amb841586 [1,1,0,0,0,0|1,0,1]=4 1398 B13R1.141 CCNc1ccc(Cl)cc1C(=O)O Amb2787869 [1,1,0,0,0,0|1,0,1]=4 1399 B13R1.141 CCNc1ccc(F)cc1C(=O)O Amb18066098 [1,1,0,0,0,0|1,0,1]=4 1400 B13R1.141 CCOc1ccc(Br)cc1C(=O)Cl Amb16230170 [1,1,0,0,0,0|1,0,1]=4 1401 B13R1.141 CCOc1ccc(Br)cc1C(=O)O Amb6541258 [1,1,0,0,0,0|0,0,1]=3 1402 B13R1.141 CCOc1ccc(Br)cc1C(C)=O Amb2209254 [1,1,0,0,0,0|1,0,1]=4 1403 B13R1.141 CCOc1ccc(Br)cc1C(N)=O Amb6826289 [1,1,0,0,0,0|1,0,1]=4 1404 B13R1.141 CCOc1ccc(Br)cc1S(=O)O Amb27243683 [1,1,0,0,0,0|1,0,1]=4 1405 B13R1.141 CCOc1ccc(Br)nc1C(=O)O Amb23541704 [1,1,0,0,0,0|1,0,1]=4 1406 B13R1.141 CCOc1ccc(C)cc1C(=O)O Amb17109112 [1,1,0,0,0,0|0,0,1]=3 1407 B13R1.141 CCOc1ccc(C)cc1C(C)=O Amb2209256 [1,1,0,0,0,0|1,0,1]=4 1408 B13R1.141 CCOc1ccc(C)nc1C(=O)O Amb33483934 [1,1,0,0,0,0|1,0,1]=4 1409 B13R1.141 CCOc1ccc(C)nc1C(=O)O Amb33547891 [1,1,0,0,0,0|1,0,1]=4 1410 B13R1.141 CCOc1ccc(Cl)cc1C(=O)Cl Amb16230220 [1,1,0,0,0,0|1,0,1]=4 1411 B13R1.141 CCOc1ccc(Cl)cc1C(=O)O Amb3993854 [1,1,0,0,0,0|0,0,1]=3 1412 B13R1.141 CCOc1ccc(Cl)cc1C(C)=O Amb6487144 [1,1,0,0,0,0|1,0,1]=4 1413 B13R1.141 CCOc1ccc(Cl)cc1C(N)=O Amb8342628 [1,1,0,0,0,0|1,0,1]=4 1414 B13R1.141 CCOc1ccc(Cl)nc1C(=O)O Amb33743609 [1,1,0,0,0,0|1,0,1]=4 1415 B13R1.141 CCOc1ccc(F)cc1C(=O)O Amb8945763 [1,1,0,0,0,0|0,0,1]=3 1416 B13R1.141 CCOc1ccc(F)cc1C(C)=O Amb6487138 [1,1,0,0,0,0|1,0,1]=4 1417 B13R1.141 CCOc1ccc(I)cc1C(=O)O Amb18555907 [1,1,0,0,0,0|0,0,1]=3 1418 B13R1.141 CCOc1ccc(N)cc1C(=O)O Amb13949220 [1,1,0,0,0,0|0,0,1]=3 1419 B13R1.141 CCOc1ccc(N)cc1C(=O)O Amb8073220 [1,1,0,0,0,0|0,0,1]=3 1420 B13R1.141 CCOc1ccc(N)cc1C(N)=O Amb8427035 [1,1,0,0,0,0|1,0,1]=4 1421 B13R1.141 CCOc1ccc(O)cc1C(=O)O Amb17201823 [1,1,0,0,0,0|0,0,1]=3 1422 B13R1.141 CCOc1ccc(S)cc1C(=O)O Amb27165629 [1,1,0,0,0,0|0,0,1]=3 1423 B13R1.141 CCOc1ncc(Br)cc1C(=O)O Amb10069951 [1,1,0,0,0,0|1,0,1]=4 1424 B13R1.141 CCOc1ncc(Cl)cc1C(=O)O Amb1092000 [1,1,0,0,0,0|1,0,1]=4 1425 B13R1.141 CCOc1ncc(I)cc1C(=O)O Amb10069949 [1,1,0,0,0,0|1,0,1]=4 1426 B13R1.141 CCSc1ccc(Br)cc1C(=O)O Amb27882277 [1,1,0,0,0,0|0,1,1]=4 1427 B13R1.141 CCSc1ccc(C)cc1C(=O)O Amb18992254 [1,1,0,0,0,0|0,1,1]=4 1428 B13R1.141 CCSc1ccc(Cl)cc1C(=O)O Amb20629931 [1,1,0,0,0,0|0,1,1]=4 1429 B13R1.141 COCc1ccc(Br)cc1C(=O)O Amb23443128 [1,1,0,0,0,0|2,0,0]=4 1430 B13R1.141 COCc1ccc(C)cc1C(=O)O Amb26611512 [1,1,0,0,0,0|2,0,0]=4 1431 B13R1.141 COCc1ccc(Cl)cc1C(=O)O Amb28289285 [1,1,0,0,0,0|2,0,0]=4 1432 B13R1.141 COCc1ccc(F)cc1C(=O)O Amb24644398 [1,1,0,0,0,0|2,0,0]=4 1433 B13R1.141 COCc1ccc(O)cc1C(=O)O Amb25896349 [1,1,0,0,0,0|2,0,0]=4 1434 B13R1.141 Cc1ccc(NC=O)c(C(=O)O)c1 Amb18951586 [1,1,0,0,0,0|1,0,0]=3 1435 B13R1.141 Cc1ccc(NN=O)c(C(=O)O)c1 Amb27165835 [1,1,0,0,0,0|2,0,0]=4 1436 B13R1.141 NC(=O)c1cc(O)ccc1NC=O Amb28385463 [1,1,0,0,0,0|2,0,0]=4 1437 B13R1.141 O=CNc1ccc(O)cc1C(=O)O Amb18282958 [1,1,0,0,0,0|1,0,0]=3 1438 B13R1.356 CCCc1cc(Br)ccc1C(=O)O Amb25979516 [1,1,0,0,0,0|1,0,1]=4 1439 B13R1.356 CCNc1cc(C)ccc1C(=O)O Amb18300466 [1,1,0,0,0,0|1,0,1]=4 1440 B13R1.356 CCNc1cc(Cl)ccc1C(=O)O Amb18303162 [1,1,0,0,0,0|1,0,1]=4 1441 B13R1.356 CCNc1cc(F)ccc1C(=O)O Amb19515461 [1,1,0,0,0,0|1,0,1]=4 1442 B13R1.356 CCNc1cc(I)ccc1C(=O)O Amb28205486 [1,1,0,0,0,0|1,0,1]=4 1443 B13R1.356 CCNc1cc(N)ccc1C(=O)O Amb27494241 [1,1,0,0,0,0|1,0,1]=4 1444 B13R1.356 CCOc1cc(Br)ccc1C(=O)O Amb9025522 [1,1,0,0,0,0|0,0,1]=3 1445 B13R1.356 CCOc1cc(Br)ccc1C(N)=O Amb22229684 [1,1,0,0,0,0|1,0,1]=4 1446 B13R1.356 CCOc1cc(Br)cnc1C(=O)O Amb27762016 [1,1,0,0,0,0|1,0,1]=4 1447 B13R1.356 CCOc1cc(C)ccc1C(=O)O Amb18291991 [1,1,0,0,0,0|0,0,1]=3 1448 B13R1.356 CCOc1cc(Cl)ccc1C(=O)O Amb18295312 [1,1,0,0,0,0|0,0,1]=3 1449 B13R1.356 CCOc1cc(Cl)ccc1C(C)=O Amb24407258 [1,1,0,0,0,0|1,0,1]=4 1450 B13R1.356 CCOc1cc(Cl)ccc1C(N)=O Amb27769632 [1,1,0,0,0,0|1,0,1]=4 1451 B13R1.356 CCOc1cc(Cl)ncc1C(=O)O Amb2610125 [1,1,0,0,0,0|1,0,1]=4 1452 B13R1.356 CCOc1cc(F)ccc1C(=O)Cl Amb27200234 [1,1,0,0,0,0|1,0,1]=4 1453 B13R1.356 CCOc1cc(F)ccc1C(=O)O Amb27249535 [1,1,0,0,0,0|0,0,1]=3 1454 B13R1.356 CCOc1cc(F)ccc1C(C)=O Amb18179261 [1,1,0,0,0,0|1,0,1]=4 1455 B13R1.356 CCOc1cc(I)ccc1C(=O)O Amb28120624 [1,1,0,0,0,0|0,0,1]=3 1456 B13R1.356 CCOc1cc(N)ccc1C(=O)O Amb27621386 [1,1,0,0,0,0|0,0,1]=3 1457 B13R1.356 CCOc1cc(N)ccc1C(N)=O Amb24092570 [1,1,0,0,0,0|1,0,1]=4 1458 B13R1.356 CCOc1cc(N)cnc1C(=O)O Amb27447871 [1,1,0,0,0,0|1,0,1]=4 1459 B13R1.356 CCOc1nc(C)ccc1C(=O)O Amb18995650 [1,1,0,0,0,0|1,0,1]=4 1460 B13R1.356 CCOc1nc(Cl)ccc1C(=O)O Amb22276112 [1,1,0,0,0,0|1,0,1]=4 1461 B13R1.356 CCSc1cc(Br)ccc1C(=O)O Amb26451824 [1,1,0,0,0,0|0,1,1]=4 1462 B13R1.356 CCSc1cc(C)ccc1C(=O)O Amb18300481 [1,1,0,0,0,0|0,1,1]=4 1463 B13R1.356 CCSc1cc(Cl)ccc1C(=O)O Amb26374537 [1,1,0,0,0,0|0,1,1]=4 1464 B13R1.356 CCSc1cc(F)ccc1C(=O)O Amb25192462 [1,1,0,0,0,0|0,1,1]=4 1465 B13R1.356 CCSc1cc(I)ccc1C(=O)O Amb24402350 [1,1,0,0,0,0|0,1,1]=4 1466 B13R1.356 CCSc1cc(N)ccc1C(=O)O Amb25350010 [1,1,0,0,0,0|0,1,1]=4 1467 B13R1.356 COCc1cc(Br)ccc1C(=O)O Amb27610186 [1,1,0,0,0,0|2,0,0]=4 1468 B13R1.356 CSCc1cc(F)ccc1C(=O)O Amb28317186 [1,1,0,0,0,0|2,0,0]=4 1469 B13R1.356 CSSc1cc(Br)ccc1C(=O)O Amb28289204 [1,1,0,0,0,0|1,1,0]=4 1470 B13R1.356 C\C=C\c1cc(C)ccc1C(=O)O Amb27636945 [1,1,0,0,0,0|1,0,0]=3 1471 B13R1.356 Cc1ccc(C(=O)O)c(NC=O)c1 Amb27392372 [1,1,0,0,0,0|1,0,0]=3 1472 B13R1.356 O=C(O)c1ccc(F)cc1\C=C\Br Amb33135514 [1,1,0,0,0,0|2,0,0]=4 1473 B13R1.356 O=CNc1cc(Br)ccc1C(=O)O Amb18281872 [1,1,0,0,0,0|1,0,0]=3 1474 B13R1.381 CCOc1ccccc1P(=O)(O)O Amb814259 [1,1,0,0,0,0|1,0,1]=4 1475 B13R1.382 C=CC(=O)c1ccccc1OCC Amb32955629 [1,1,0,0,0,0|1,0,1]=4 1476 B13R1.382 C=COc1ccccc1C(=O)OC Amb33530859 [1,1,0,0,0,0|0,0,1]=3 1477 B13R1.382 CCNc1ccccc1C(=O)NO Amb27259355 [1,1,0,0,0,0|1,0,1]=4 1478 B13R1.382 CCNc1ccccc1C(=O)OC Amb841658 [1,1,0,0,0,0|1,0,1]=4 1479 B13R1.382 CCOc1ccccc1C(=O)CBr Amb6673817 [1,1,0,0,0,0|1,0,1]=4 1480 B13R1.382 CCOc1ccccc1C(=O)CC Amb6266493 [1,1,0,0,0,0|1,0,1]=4 1481 B13R1.382 CCOc1ccccc1C(=O)CCl Amb19084559 [1,1,0,0,0,0|1,0,1]=4 1482 B13R1.382 CCOc1ccccc1C(=O)CN Amb19009277 [1,1,0,0,0,0|1,0,1]=4 1483 B13R1.382 CCOc1ccccc1C(=O)NC Amb3886766 [1,1,0,0,0,0|1,0,1]=4 1484 B13R1.382 CCOc1ccccc1C(=O)NN Amb1141348 [1,1,0,0,0,0|1,0,1]=4 1485 B13R1.382 CCOc1ccccc1C(=O)OC Amb6297220 [1,1,0,0,0,0|0,0,1]=3 1486 B13R1.382 CCOc1ccccc1\C(C)=N/O Amb8073027 [1,1,0,0,0,0|1,0,1]=4 1487 B13R1.382 CCOc1ccccc1\C(C)=N\O Amb8426361 [1,1,0,0,0,0|1,0,1]=4 1488 B13R1.382 CCOc1ccccc1\C(Cl)=N\O Amb28045397 [1,1,0,0,0,0|1,0,1]=4 1489 B13R1.382 CCOc1ccccc1\C(N)=N\O Amb2696669 [1,1,0,0,0,0|1,0,1]=4 1490 B13R1.382 CCOc1ccncc1C(=O)OC Amb23412040 [1,1,0,0,0,0|1,0,1]=4 1491 B13R1.382 CCOc1ncccc1C(=O)NO Amb27809030 [1,1,0,0,0,0|1,0,1]=4 1492 B13R1.382 CCOc1ncccc1C(=O)OC Amb28992447 [1,1,0,0,0,0|1,0,1]=4 1493 B13R1.382 CNCc1ccccc1C(=O)OC Amb19346337 [1,1,0,0,0,0|2,0,0]=4 1494 B13R1.382 CNCc1ccccc1C(=O)OC Amb9620945 [1,1,0,0,0,0|2,0,0]=4 1495 B13R1.382 COC(=O)c1ccccc1N=C=O Amb3939233 [1,1,0,0,0,0|1,0,1]=4 1496 B13R1.382 COC(=O)c1ccccc1NC=O Amb19515947 [1,1,0,0,0,0|1,0,0]=3 1497 B13R1.382 COC(=O)c1cccnc1NC=O Amb25843904 [1,1,0,0,0,0|2,0,0]=4 1498 B13R1.382 NCC(=O)c1ccccc1NC=O Amb28434941 [1,1,0,0,0,0|2,0,0]=4 1499 B13R1.547 C=C[C@@H](N)c1ccccc1C(=O)O Amb28341345 [1,1,0,0,0,0|1,0,1]=4 1500 B13R1.547 CC(C=O)c1ccccc1C(=O)O Amb27482145 [1,1,0,0,0,0|1,0,0]=3 1501 B13R1.547 CCC(=O)c1ccccc1C(=O)O Amb2721053 [1,1,0,0,0,0|1,0,1]=4 1502 B13R1.547 CCC(C)c1ccccc1C(=O)O Amb18128233 [1,1,0,0,0,0|1,0,1]=4 1503 B13R1.547 CCS(=O)c1ccccc1C(=O)O Amb426808 [1,1,0,0,0,0|0,1,1]=4 1504 B13R1.547 CC[C@@H](N)c1ccccc1C(=O)O Amb27832678 [1,1,0,0,0,0|1,0,1]=4 1505 B13R1.547 CC[C@H](N)c1ccccc1C(=O)O Amb28288654 [1,1,0,0,0,0|1,0,1]=4 1506 B13R1.547 CN(C=O)c1ccccc1C(N)=O Amb28254510 [1,1,0,0,0,0|2,0,0]=4 1507 B13R1.547 CNC(=O)c1ccccc1C(=O)O Amb2970514 [1,1,0,0,0,0|2,0,0]=4 1508 B13R1.547 COC(=O)c1ccccc1C(=O)O Amb6335787 [1,1,0,0,0,0|2,0,0]=4 1509 B13R1.547 CO[C@H](C)c1ccccc1C(=O)O Amb28119893 [1,1,0,0,0,0|2,0,0]=4 1510 B13R1.547 O=CN(O)c1ccccc1C(=O)O Amb27955814 [1,1,0,0,0,0|1,0,0]=3 1511 B13R1.572 C#CCOc1ccccc1C(=O)O Amb3427930 [1,1,0,0,0,0|0,0,2]=4 1512 B13R1.572 C=CCCc1ccccc1C(=O)O Amb6299591 [1,1,0,0,0,0|1,0,1]=4 1513 B13R1.572 C=CCNc1ccccc1C(=O)O Amb1206080 [1,1,0,0,0,0|1,0,1]=4 1514 B13R1.572 C=CCOc1ccccc1C(=O)Cl Amb32439024 [1,1,0,0,0,0|1,0,1]=4 1515 B13R1.572 C=CCOc1ccccc1C(=O)O Amb6239366 [1,1,0,0,0,0|0,0,1]=3 1516 B13R1.572 C=CCOc1ccccc1C(C)=O Amb6261418 [1,1,0,0,0,0|1,0,1]=4 1517 B13R1.572 C=CCOc1cccnc1C(=O)O Amb18178631 [1,1,0,0,0,0|1,0,1]=4 1518 B13R1.572 C=CCSc1ccccc1C(=O)O Amb33532620 [1,1,0,0,0,0|0,1,1]=4 1519 B13R1.572 CC#COc1ccccc1C(=O)O Amb27409085 [1,1,0,0,0,0|0,0,1]=3 1520 B13R1.572 CC(=O)c1ccccc1OCCBr Amb1105087 [1,1,0,0,0,0|1,0,1]=4 1521 B13R1.572 CC(=O)c1ccccc1OCCO Amb6257013 [1,1,0,0,0,0|1,0,1]=4 1522 B13R1.572 CC(=O)c1ccccc1\C=C\C=O Amb27256504 [1,1,0,0,0,0|2,0,0]=4 1523 B13R1.572 CCC#Cc1ccccc1C(=O)O Amb25956127 [1,1,0,0,0,0|1,0,1]=4 1524 B13R1.572 CCCCc1ccccc1C(=O)O Amb32951200 [1,1,0,0,0,0|1,0,1]=4 1525 B13R1.572 CCCNc1ccccc1C(=O)O Amb1110239 [1,1,0,0,0,0|1,0,1]=4 1526 B13R1.572 CCCOc1ccccc1C(=O)Cl Amb8393734 [1,1,0,0,0,0|1,0,1]=4 1527 B13R1.572 CCCOc1ccccc1C(=O)O Amb1140823 [1,1,0,0,0,0|0,0,1]=3 1528 B13R1.572 CCCOc1ccccc1C(=O)[O-] Amb33513158 [1,1,0,0,0,0|0,0,2]=4 1529 B13R1.572 CCCOc1ccccc1C(C)=O Amb6259401 [1,1,0,0,0,0|1,0,1]=4 1530 B13R1.572 CCCOc1ccccc1C(N)=O Amb5846702 [1,1,0,0,0,0|1,0,1]=4 1531 B13R1.572 CCCOc1cccnc1C(=O)O Amb8009480 [1,1,0,0,0,0|1,0,1]=4 1532 B13R1.572 CCCSc1ccccc1C(=O)O Amb1138545 [1,1,0,0,0,0|0,1,1]=4 1533 B13R1.572 CCNCc1ccccc1C(=O)O Amb10242754 [1,1,0,0,0,0|1,0,1]=4 1534 B13R1.572 CCOCc1ccccc1C(=O)O Amb9333064 [1,1,0,0,0,0|0,0,1]=3 1535 B13R1.572 CCSCc1ccccc1C(=O)O Amb9272232 [1,1,0,0,0,0|0,1,1]=4 1536 B13R1.572 CC\C=C\c1ccccc1C(=O)O Amb27781528 [1,1,0,0,0,0|1,0,0]=3 1537 B13R1.572 CNCCc1ccccc1C(=O)O Amb28600353 [1,1,0,0,0,0|1,0,1]=4 1538 B13R1.572 CNCCc1ccccc1C(=O)O Amb32718804 [1,1,0,0,0,0|1,0,1]=4 1539 B13R1.572 COCCc1ccccc1C(=O)O Amb33191750 [1,1,0,0,0,0|1,0,1]=4 1540 B13R1.572 COCOc1ccccc1C(C)=O Amb18092918 [1,1,0,0,0,0|1,0,1]=4 1541 B13R1.572 C\C=C/Oc1ccccc1C(=O)O Amb28121137 [1,1,0,0,0,0|0,0,0]=2 1542 B13R1.572 C\C=C\Cc1ccccc1C(=O)O Amb24426260 [1,1,0,0,0,0|1,0,0]=3 1543 B13R1.572 C\C=N\Nc1ccccc1C(=O)O Amb27392289 [1,1,0,0,0,0|1,0,0]=3 1544 B13R1.572 N#CCOc1ccccc1C(=O)O Amb6252002 [1,1,0,0,0,0|0,0,2]=4 1545 B13R1.572 NC(=O)c1ccccc1OCCCl Amb9209783 [1,1,0,0,0,0|1,0,1]=4 1546 B13R1.572 NC(=O)c1ccccc1OCCO Amb4009342 [1,1,0,0,0,0|1,0,1]=4 1547 B13R1.572 NC(=O)c1ccccc1\C=C\CO Amb20248381 [1,1,0,0,0,0|2,0,0]=4 1548 B13R1.572 NCC#Cc1ccccc1C(=O)O Amb24494529 [1,1,0,0,0,0|1,0,1]=4 1549 B13R1.572 NCCNc1ccccc1C(=O)O Amb18186560 [1,1,0,0,0,0|1,0,1]=4 1550 B13R1.572 NCCOc1ccccc1C(N)=O Amb6272104 [1,1,0,0,0,0|1,0,1]=4 1551 B13R1.572 NCCSc1ccccc1C(=O)O Amb33755442 [1,1,0,0,0,0|0,1,1]=4 1552 B13R1.572 NCCSc1ccccc1C(=O)O Amb9174994 [1,1,0,0,0,0|0,1,1]=4 1553 B13R1.572 O=C(Cl)c1ccccc1OCCF Amb24070129 [1,1,0,0,0,0|1,0,1]=4 1554 B13R1.572 O=C(O)c1ccccc1C#CCBr Amb26596278 [1,1,0,0,0,0|1,0,1]=4 1555 B13R1.572 O=C(O)c1ccccc1C#CCF Amb25896275 [1,1,0,0,0,0|1,0,1]=4 1556 B13R1.572 O=C(O)c1ccccc1C#CCI Amb24437559 [1,1,0,0,0,0|1,0,1]=4 1557 B13R1.572 O=C(O)c1ccccc1C#CCO Amb27170732 [1,1,0,0,0,0|1,0,1]=4 1558 B13R1.572 O=C(O)c1ccccc1NCCO Amb1102882 [1,1,0,0,0,0|1,0,1]=4 1559 B13R1.572 O=C(O)c1ccccc1OCCF Amb31207829 [1,1,0,0,0,0|0,0,1]=3 1560 B13R1.572 O=C(O)c1ccccc1OCCO Amb2697954 [1,1,0,0,0,0|0,0,1]=3 1561 B13R1.572 O=C(O)c1ccccc1SCCO Amb33532641 [1,1,0,0,0,0|0,1,1]=4 1562 B13R1.572 O=C(O)c1cccnc1OCCO Amb6681161 [1,1,0,0,0,0|1,0,1]=4 1563 B13R1.572 O=C(O)c1ncccc1OCCO Amb19015805 [1,1,0,0,0,0|1,0,1]=4 1564 B13R1.572 O=CCNc1ncccc1C(=O)O Amb18128572 [1,1,0,0,0,0|2,0,0]=4 1565 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] Amb17099947 [1,1,0,0,0,0|1,0,1]=4 1566 B13R1.572 O=CNNc1ccccc1C(=O)O Amb18128573 [1,1,0,0,0,0|1,0,0]=3 1567 B13R1.572 O=S=NNc1ccccc1C(=O)O Amb28396617 [1,1,0,0,0,0|2,0,0]=4 1568 B13R1.2897 C=CCc1cccc(Cl)c1C(=O)O Amb27166076 [1,1,0,0,0,0|1,0,1]=4 1569 B13R1.2897 CCCc1cccc(C)c1C(=O)O Amb27646143 [1,1,0,0,0,0|1,0,1]=4 1570 B13R1.2897 CCNc1cccc(F)c1C(=O)O Amb18066095 [1,1,0,0,0,0|1,0,1]=4 1571 B13R1.2897 CCOc1cccc(C)c1C(=O)O Amb18648351 [1,1,0,0,0,0|0,0,1]=3 1572 B13R1.2897 CCOc1cccc(C)c1C(N)=O Amb22500484 [1,1,0,0,0,0|1,0,1]=4 1573 B13R1.2897 CCOc1cccc(Cl)c1C(=O)O Amb6718141 [1,1,0,0,0,0|0,0,1]=3 1574 B13R1.2897 CCOc1cccc(Cl)c1C(C)=O Amb25153339 [1,1,0,0,0,0|1,0,1]=4 1575 B13R1.2897 CCOc1cccc(Cl)c1C(N)=O Amb29845155 [1,1,0,0,0,0|1,0,1]=4 1576 B13R1.2897 CCOc1cccc(F)c1C(=O)O Amb25180885 [1,1,0,0,0,0|0,0,1]=3 1577 B13R1.2897 CCOc1cccc(F)c1C(C)=O Amb6681597 [1,1,0,0,0,0|1,0,1]=4 1578 B13R1.2897 CCOc1cccc(F)c1C(N)=O Amb26455701 [1,1,0,0,0,0|1,0,1]=4 1579 B13R1.2897 CCOc1cccc(O)c1C(=O)O Amb27394306 [1,1,0,0,0,0|0,0,1]=3 1580 B13R1.2897 CCOc1cccc(O)c1C(C)=O Amb22264780 [1,1,0,0,0,0|1,0,1]=4 1581 B13R1.2897 CCOc1nccc(C)c1C(=O)O Amb33551766 [1,1,0,0,0,0|1,0,1]=4 1582 B13R1.2897 CCSc1cccc(Br)c1C(=O)O Amb27602576 [1,1,0,0,0,0|0,1,1]=4 1583 B13R1.2897 CCSc1cccc(C)c1C(=O)O Amb27219104 [1,1,0,0,0,0|0,1,1]=4 1584 B13R1.2897 CCSc1cccc(Cl)c1C(=O)O Amb25070911 [1,1,0,0,0,0|0,1,1]=4 1585 B13R1.2897 CCSc1cccc(F)c1C(=O)O Amb25790740 [1,1,0,0,0,0|0,1,1]=4 1586 B13R1.2897 CCSc1cccc(I)c1C(=O)O Amb26969943 [1,1,0,0,0,0|0,1,1]=4 1587 B13R1.2897 CCSc1cccc(N)c1C(=O)O Amb27950955 [1,1,0,0,0,0|0,1,1]=4 1588 B13R1.2897 CCSc1cccc(O)c1C(=O)O Amb27784182 [1,1,0,0,0,0|0,1,1]=4 1589 B13R1.2897 Cc1cccc(NC=O)c1C(=O)O Amb27951141 [1,1,0,0,0,0|1,0,0]=3 1590 B13R1.2897 O=CNc1cccc(F)c1C(=O)O Amb18951592 [1,1,0,0,0,0|1,0,0]=3 1591 B13R1.4012 C=CCc1c(Cl)cccc1C(=O)O Amb27179196 [1,1,0,0,0,0|1,0,1]=4 1592 B13R1.4012 C=CCc1c(O)cccc1C(=O)O Amb25076760 [1,1,0,0,0,0|1,0,1]=4 1593 B13R1.4012 CCCc1c(Br)cccc1C(=O)O Amb22497463 [1,1,0,0,0,0|1,0,1]=4 1594 B13R1.4012 CCNc1c(Cl)cccc1C(=O)O Amb2788367 [1,1,0,0,0,0|1,0,1]=4 1595 B13R1.4012 CCNc1c(N)cccc1C(=O)O Amb26420751 [1,1,0,0,0,0|1,0,1]=4 1596 B13R1.4012 CCOc1c(Br)cccc1C(=O)O Amb18977690 [1,1,0,0,0,0|0,0,1]=3 1597 B13R1.4012 CCOc1c(C(=O)O)ccnc1C Amb32671527 [1,1,0,0,0,0|1,0,1]=4 1598 B13R1.4012 CCOc1c(C)cccc1C(C)=O Amb17233419 [1,1,0,0,0,0|1,0,1]=4 1599 B13R1.4012 CCOc1c(Cl)cccc1C(C)=O Amb17236838 [1,1,0,0,0,0|1,0,1]=4 1600 B13R1.4012 CCOc1c(Cl)ccnc1C(=O)O Amb26988484 [1,1,0,0,0,0|1,0,1]=4 1601 B13R1.4012 CCOc1c(F)cccc1C(=O)O Amb18994272 [1,1,0,0,0,0|0,0,1]=3 1602 B13R1.4012 CCOc1c(N)cccc1C(=O)O Amb27477991 [1,1,0,0,0,0|0,0,1]=3 1603 B13R1.4012 CCOc1c(S)cccc1C(=O)O Amb25091126 [1,1,0,0,0,0|0,0,1]=3 1604 B13R1.4012 CCSc1c(Br)cccc1C(=O)O Amb27859582 [1,1,0,0,0,0|0,1,1]=4 1605 B13R1.4012 CCSc1c(C)cccc1C(=O)O Amb28430323 [1,1,0,0,0,0|0,1,1]=4 1606 B13R1.4012 CCSc1c(F)cccc1C(=O)O Amb18994300 [1,1,0,0,0,0|0,1,1]=4 1607 B13R1.4012 CCSc1c(N)cccc1C(=O)O Amb27652377 [1,1,0,0,0,0|0,1,1]=4 1608 B13R1.4012 C\C=C\c1c(C)cccc1C(=O)O Amb27179068 [1,1,0,0,0,0|1,0,0]=3 1609 B13R1.4012 O=CNc1c(F)cccc1C(=O)O Amb27608872 [1,1,0,0,0,0|1,0,0]=3 1610 B13R1.165 CC(=O)c1cc(Br)ccc1C(=O)O Amb18155971 [0,1,0,0,1,0|0,0,0]=2 1611 B13R1.165 CC(=O)c1cc(Br)ccc1N(=O)=O Amb22371054 [0,1,0,0,1,0|1,0,1]=4 1612 B13R1.165 CC(=O)c1cc(Br)ccc1[N+](=O)[O-] Amb19944582 [0,1,0,0,1,0|1,0,1]=4 1613 B13R1.165 CC(=O)c1cc(C)ccc1C(=O)O Amb27166740 [0,1,0,0,1,0|0,0,0]=2 1614 B13R1.165 CC(=O)c1cc(C)ccc1[N+](=O)[O-] Amb10604706 [0,1,0,0,1,0|1,0,1]=4 1615 B13R1.165 CC(=O)c1cc(Cl)ccc1C(=O)O Amb25304211 [0,1,0,0,1,0|0,0,0]=2 1616 B13R1.165 CC(=O)c1cc(Cl)ccc1[N+](=O)[O-] Amb2423370 [0,1,0,0,1,0|1,0,1]=4 1617 B13R1.165 CC(=O)c1cc(Cl)cnc1C(=O)O Amb15695202 [0,1,0,0,1,0|1,0,0]=3 1618 B13R1.165 CC(=O)c1cc(F)ccc1C(=O)O Amb25965318 [0,1,0,0,1,0|0,0,0]=2 1619 B13R1.165 CC(=O)c1cc(F)ccc1[N+](=O)[O-] Amb22274620 [0,1,0,0,1,0|1,0,1]=4 1620 B13R1.165 CC(=O)c1cc(I)ccc1C(=O)O Amb24659770 [0,1,0,0,1,0|0,0,0]=2 1621 B13R1.165 CC(=O)c1cc(I)ccc1[N+](=O)[O-] Amb28199015 [0,1,0,0,1,0|1,0,1]=4 1622 B13R1.165 CC(=O)c1cc(N)ccc1C(=O)O Amb24454553 [0,1,0,0,1,0|0,0,0]=2 1623 B13R1.165 CC(=O)c1cc(N)ccc1C(=O)O Amb33484283 [0,1,0,0,1,0|0,0,0]=2 1624 B13R1.165 CC(=O)c1cc(N)ccc1[N+](=O)[O-] Amb3989916 [0,1,0,0,1,0|1,0,1]=4 1625 B13R1.165 CC(=O)c1cc(O)ccc1C(=O)O Amb26520297 [0,1,0,0,1,0|0,0,0]=2 1626 B13R1.165 CC(=O)c1cc(O)ccc1[N+](=O)[O-] Amb21962931 [0,1,0,0,1,0|1,0,1]=4 1627 B13R1.165 CC(=O)c1ccc(Br)cc1[N+](=O)[O-] Amb20241811 [0,1,0,0,1,0|1,0,1]=4 1628 B13R1.165 CC(=O)c1ccc(C)cc1[N+](=O)[O-] Amb24634708 [0,1,0,0,1,0|1,0,1]=4 1629 B13R1.165 CC(=O)c1ccc(Cl)cc1[N+](=O)[O-] Amb8390732 [0,1,0,0,1,0|1,0,1]=4 1630 B13R1.165 CC(=O)c1ccc(F)cc1[N+](=O)[O-] Amb22497637 [0,1,0,0,1,0|1,0,1]=4 1631 B13R1.165 CC(=O)c1ccc(I)cc1[N+](=O)[O-] Amb22498969 [0,1,0,0,1,0|1,0,1]=4 1632 B13R1.165 CC(=O)c1ccc(N)cc1C(=O)O Amb33133012 [0,1,0,0,1,0|0,0,0]=2 1633 B13R1.165 CC(=O)c1ccc(O)cc1N(=O)=O Amb8383575 [0,1,0,0,1,0|1,0,1]=4 1634 B13R1.165 CC(=O)c1cnc(Cl)nc1C(=O)O Amb27401088 [0,1,0,0,1,0|2,0,0]=4 1635 B13R1.165 CC(=O)c1nc(Cl)ccc1C(=O)O Amb27808187 [0,1,0,0,1,0|1,0,0]=3 1636 B13R1.165 CC(=O)c1nc(O)ncc1C(=O)O Amb22755344 [0,1,0,0,1,0|2,0,0]=4 1637 B13R1.165 CC(C)c1cc(Br)ccc1C(=O)O Amb19892741 [0,1,0,0,1,0|1,0,1]=4 1638 B13R1.165 CC(C)c1cc(Cl)ccc1C(=O)O Amb27608007 [0,1,0,0,1,0|1,0,1]=4 1639 B13R1.165 CC(C)c1cc(N)ccc1C(=O)O Amb27165688 [0,1,0,0,1,0|1,0,1]=4 1640 B13R1.165 CC(C)c1ccc(Cl)cc1C(=O)O Amb26959955 [0,1,0,0,1,0|1,0,1]=4 1641 B13R1.165 CC(C)c1ccc(O)cc1C(=O)O Amb28200848 [0,1,0,0,1,0|1,0,1]=4 1642 B13R1.165 CC(N)c1cc(Br)ccc1C(=O)O Amb27947576 [0,1,0,0,1,0|1,0,1]=4 1643 B13R1.165 CC(N)c1cc(F)ccc1C(=O)O Amb27810780 [0,1,0,0,1,0|1,0,1]=4 1644 B13R1.165 CC(N)c1cc(N)ccc1C(=O)O Amb27646384 [0,1,0,0,1,0|1,0,1]=4 1645 B13R1.165 CC(N)c1cc(O)ccc1C(=O)O Amb27875134 [0,1,0,0,1,0|1,0,1]=4 1646 B13R1.165 CN(C)c1cc(Br)ccc1C(=O)O Amb10610263 [0,1,0,0,1,0|2,0,0]=4 1647 B13R1.165 CN(C)c1cc(Br)ccc1C(=O)O Amb8867604 [0,1,0,0,1,0|2,0,0]=4 1648 B13R1.165 CN(C)c1cc(F)ccc1C(=O)O Amb26652012 [0,1,0,0,1,0|2,0,0]=4 1649 B13R1.165 CN(C)c1ccc(Br)cc1C(=O)O Amb23401967 [0,1,0,0,1,0|2,0,0]=4 1650 B13R1.165 CN(C)c1ccc(Cl)cc1C(=O)O Amb18955632 [0,1,0,0,1,0|2,0,0]=4 1651 B13R1.165 CN(C)c1ccc(F)cc1C(=O)O Amb8945581 [0,1,0,0,1,0|2,0,0]=4 1652 B13R1.165 CN(C)c1ccc(N)cc1C(=O)O Amb2734700 [0,1,0,0,1,0|2,0,0]=4 1653 B13R1.165 CN(C)c1ccc(O)cc1C(=O)O Amb27803962 [0,1,0,0,1,0|2,0,0]=4 1654 B13R1.165 C[C@@H](N)c1cc(F)ccc1C(=O)O Amb28322780 [0,1,0,0,1,0|1,0,1]=4 1655 B13R1.165 C[C@@H](N)c1ccc(F)cc1C(=O)O Amb28144977 [0,1,0,0,1,0|1,0,1]=4 1656 B13R1.165 C[C@@H](N)c1ccc(O)cc1C(=O)O Amb27948086 [0,1,0,0,1,0|1,0,1]=4 1657 B13R1.165 C[C@H](N)c1ccc(F)cc1C(=O)O Amb27187405 [0,1,0,0,1,0|1,0,1]=4 1658 B13R1.165 C[C@H](N)c1ccc(N)cc1C(=O)O Amb27461378 [0,1,0,0,1,0|1,0,1]=4 1659 B13R1.165 C[C@H](N)c1ccc(O)cc1C(=O)O Amb27948150 [0,1,0,0,1,0|1,0,1]=4 1660 B13R1.165 Cc1cc(C(=O)O)c(C(=O)O)cn1 Amb22522562 [0,1,0,0,1,0|2,0,0]=4 1661 B13R1.165 Cc1ccc(C(=O)O)c(C(=O)O)c1 Amb6296696 [0,1,0,0,1,0|1,0,0]=3 1662 B13R1.165 Cc1ccc(C(=O)O)c(C(=O)O)n1 Amb4037087 [0,1,0,0,1,0|2,0,0]=4 1663 B13R1.165 Cc1ccc(C(=O)O)c(C(C)N)c1 Amb27596071 [0,1,0,0,1,0|1,0,1]=4 1664 B13R1.165 Cc1ccc(C(=O)O)c(C(N)=O)c1 Amb27974269 [0,1,0,0,1,0|1,0,0]=3 1665 B13R1.165 Cc1ccc(C(=O)O)c([C@@H](C)N)c1 Amb27404527 [0,1,0,0,1,0|1,0,1]=4 1666 B13R1.165 Cc1ccc(C(=O)O)c([N+](=O)[O-])c1 Amb3428554 [0,1,0,0,1,0|2,0,0]=4 1667 B13R1.165 Cc1ccc(C(C)C)c(C(=O)O)c1 Amb17594551 [0,1,0,0,1,0|1,0,1]=4 1668 B13R1.165 Cc1ccc(C(C)N)c(C(=O)O)c1 Amb27954462 [0,1,0,0,1,0|1,0,1]=4 1669 B13R1.165 Cc1ccc(C(N)=O)c(C(=O)O)c1 Amb27179251 [0,1,0,0,1,0|1,0,0]=3 1670 B13R1.165 Cc1ccc(N(=O)=O)c(C(=O)O)c1 Amb20621664 [0,1,0,0,1,0|2,0,0]=4 1671 B13R1.165 Cc1ccc(N(C)C)c(C(=O)O)c1 Amb18962239 [0,1,0,0,1,0|2,0,0]=4 1672 B13R1.165 Cc1ccc([C@H](C)N)c(C(=O)O)c1 Amb28067615 [0,1,0,0,1,0|1,0,1]=4 1673 B13R1.165 Cc1ccc([N+](=O)[O-])c(C(=O)O)c1 Amb3940446 [0,1,0,0,1,0|2,0,0]=4 1674 B13R1.165 Cc1cnc(C(=O)O)c(C(=O)O)c1 Amb18128790 [0,1,0,0,1,0|2,0,0]=4 1675 B13R1.165 Cc1cnc(C(N)=O)c(C(=O)O)c1 Amb27876047 [0,1,0,0,1,0|2,0,0]=4 1676 B13R1.165 NC(=O)c1cc(N)ccc1C(=O)O Amb27965067 [0,1,0,0,1,0|1,0,0]=3 1677 B13R1.165 NC(=O)c1ccc(Br)cc1C(N)=O Amb8626456 [0,1,0,0,1,0|2,0,0]=4 1678 B13R1.165 NC(=O)c1ccc(N)cc1C(N)=O Amb18128355 [0,1,0,0,1,0|2,0,0]=4 1679 B13R1.165 NC(=S)c1cc(F)ccc1C(=O)O Amb28400171 [0,1,0,0,1,0|1,1,0]=4 1680 B13R1.165 Nc1ccc(C(=O)O)c(C(=O)O)c1 Amb5720140 [0,1,0,0,1,0|1,0,0]=3 1681 B13R1.165 Nc1ccc(C(=O)O)c(C(=O)O)n1 Amb28118638 [0,1,0,0,1,0|2,0,0]=4 1682 B13R1.165 Nc1ccc(C(=O)O)c([N+](=O)[O-])c1 Amb1033061 [0,1,0,0,1,0|2,0,0]=4 1683 B13R1.165 Nc1ccc(N(=O)=O)c(C(=O)O)c1 Amb6357278 [0,1,0,0,1,0|2,0,0]=4 1684 B13R1.165 Nc1ccc([N+](=O)[O-])c(C(=O)O)c1 Amb2721314 [0,1,0,0,1,0|2,0,0]=4 1685 B13R1.165 Nc1cnc(C(=O)O)c(C(=O)O)c1 Amb22546303 [0,1,0,0,1,0|2,0,0]=4 1686 B13R1.165 O=C(Cl)c1ccc(F)cc1C(=O)Cl Amb27164248 [0,1,0,0,1,0|2,0,0]=4 1687 B13R1.165 O=C(O)c1cc(Br)ccc1N(=O)=O Amb20620550 [0,1,0,0,1,0|2,0,0]=4 1688 B13R1.165 O=C(O)c1cc(Br)ccc1[N+](=O)[O-] Amb2694458 [0,1,0,0,1,0|2,0,0]=4 1689 B13R1.165 O=C(O)c1cc(Br)cnc1C(=O)O Amb9776008 [0,1,0,0,1,0|2,0,0]=4 1690 B13R1.165 O=C(O)c1cc(Br)cnc1C(=O)[O-] Amb32751780 [0,1,0,0,1,0|2,0,0]=4 1691 B13R1.165 O=C(O)c1cc(Cl)ccc1[N+](=O)[O-] Amb3940444 [0,1,0,0,1,0|2,0,0]=4 1692 B13R1.165 O=C(O)c1cc(Cl)cnc1C(=O)O Amb24745137 [0,1,0,0,1,0|2,0,0]=4 1693 B13R1.165 O=C(O)c1cc(F)ccc1[N+](=O)[O-] Amb2688256 [0,1,0,0,1,0|2,0,0]=4 1694 B13R1.165 O=C(O)c1cc(F)cnc1C(=O)O Amb22497501 [0,1,0,0,1,0|2,0,0]=4 1695 B13R1.165 O=C(O)c1cc(I)ccc1[N+](=O)[O-] Amb21964727 [0,1,0,0,1,0|2,0,0]=4 1696 B13R1.165 O=C(O)c1cc(O)ccc1N(=O)=O Amb20621426 [0,1,0,0,1,0|2,0,0]=4 1697 B13R1.165 O=C(O)c1cc(O)ccc1[N+](=O)[O-] Amb2613021 [0,1,0,0,1,0|2,0,0]=4 1698 B13R1.165 O=C(O)c1cc(S)ccc1[N+](=O)[O-] Amb18954047 [0,1,0,0,1,0|2,0,0]=4 1699 B13R1.165 O=C(O)c1ccc(Br)cc1C(=O)O Amb6335790 [0,1,0,0,1,0|1,0,0]=3 1700 B13R1.165 O=C(O)c1ccc(Br)cc1N(=O)=O Amb20620548 [0,1,0,0,1,0|2,0,0]=4 1701 B13R1.165 O=C(O)c1ccc(Br)cc1[N+](=O)[O-] Amb8387477 [0,1,0,0,1,0|2,0,0]=4 1702 B13R1.165 O=C(O)c1ccc(Cl)cc1C(=O)O Amb2698425 [0,1,0,0,1,0|1,0,0]=3 1703 B13R1.165 O=C(O)c1ccc(Cl)cc1N(=O)=O Amb6365359 [0,1,0,0,1,0|2,0,0]=4 1704 B13R1.165 O=C(O)c1ccc(Cl)cc1[N+](=O)[O-] Amb2725442 [0,1,0,0,1,0|2,0,0]=4 1705 B13R1.165 O=C(O)c1ccc(F)cc1C(=O)O Amb6297681 [0,1,0,0,1,0|1,0,0]=3 1706 B13R1.165 O=C(O)c1ccc(F)cc1N(=O)=O Amb20621324 [0,1,0,0,1,0|2,0,0]=4 1707 B13R1.165 O=C(O)c1ccc(F)cc1[N+](=O)[O-] Amb2688255 [0,1,0,0,1,0|2,0,0]=4 1708 B13R1.165 O=C(O)c1ccc(I)cc1C(=O)O Amb16231921 [0,1,0,0,1,0|1,0,0]=3 1709 B13R1.165 O=C(O)c1ccc(I)cc1[N+](=O)[O-] Amb19889775 [0,1,0,0,1,0|2,0,0]=4 1710 B13R1.165 O=C(O)c1ccc(I)nc1C(=O)O Amb27633279 [0,1,0,0,1,0|2,0,0]=4 1711 B13R1.165 O=C(O)c1ccc(O)cc1C(=O)O Amb4040626 [0,1,0,0,1,0|1,0,0]=3 1712 B13R1.165 O=C(O)c1ccc(O)cc1[N+](=O)[O-] Amb10602738 [0,1,0,0,1,0|2,0,0]=4 1713 B13R1.165 O=C(O)c1ccc(S)cc1C(=O)O Amb10561452 [0,1,0,0,1,0|1,0,0]=3 1714 B13R1.165 O=C(O)c1cnc(Br)cc1C(=O)O Amb27610282 [0,1,0,0,1,0|2,0,0]=4 1715 B13R1.165 O=C(O)c1cnc(Cl)cc1C(=O)O Amb10606278 [0,1,0,0,1,0|2,0,0]=4 1716 B13R1.165 O=C1C=CC(C(=O)O)=C(C(=O)O)N1 Amb18129167 [0,1,0,0,1,0|2,0,0]=4 1717 B13R1.165 O=C1C=CC(C(=O)O)=C(C(=O)O)O1 Amb27433943 [0,1,0,0,1,0|2,0,0]=4 1718 B13R1.295 C=C(C)c1cccc(Cl)c1C(=O)O Amb27207091 [0,1,0,0,1,0|1,0,0]=3 1719 B13R1.295 CC(=O)N1C(N)=CC=CC1C(=O)O Amb27187232 [0,1,0,0,1,0|1,0,1]=4 1720 B13R1.295 CC(=O)c1c(C)cccc1[N+](=O)[O-] Amb25109557 [0,1,0,0,1,0|1,0,1]=4 1721 B13R1.295 CC(=O)c1c(Cl)cccc1[N+](=O)[O-] Amb22495688 [0,1,0,0,1,0|1,0,1]=4 1722 B13R1.295 CC(=O)c1c(F)cccc1[N+](=O)[O-] Amb22500716 [0,1,0,0,1,0|1,0,1]=4 1723 B13R1.295 CC(=O)c1c(N)cncc1C(=O)O Amb27171245 [0,1,0,0,1,0|1,0,0]=3 1724 B13R1.295 CC(=O)c1cccc(Br)c1C(=O)O Amb18155972 [0,1,0,0,1,0|0,0,0]=2 1725 B13R1.295 CC(=O)c1cccc(C)c1[N+](=O)[O-] Amb4477256 [0,1,0,0,1,0|1,0,1]=4 1726 B13R1.295 CC(=O)c1cccc(Cl)c1[N+](=O)[O-] Amb24179121 [0,1,0,0,1,0|1,0,1]=4 1727 B13R1.295 CC(=O)c1cccc(F)c1C(=O)O Amb27865615 [0,1,0,0,1,0|0,0,0]=2 1728 B13R1.295 CC(=O)c1cccc(F)c1[N+](=O)[O-] Amb22274604 [0,1,0,0,1,0|1,0,1]=4 1729 B13R1.295 CC(=O)c1cccc(N)c1C(=O)O Amb26651942 [0,1,0,0,1,0|0,0,0]=2 1730 B13R1.295 CC(=O)c1cccc(N)c1[N+](=O)[O-] Amb26845579 [0,1,0,0,1,0|1,0,1]=4 1731 B13R1.295 CC(=O)c1cccc(O)c1N(=O)=O Amb20621427 [0,1,0,0,1,0|1,0,1]=4 1732 B13R1.295 CC(=O)c1cccc(O)c1[N+](=O)[O-] Amb9824284 [0,1,0,0,1,0|1,0,1]=4 1733 B13R1.295 CC(C)c1c(O)cccc1C(=O)O Amb28145965 [0,1,0,0,1,0|1,0,1]=4 1734 B13R1.295 CC(C)c1cccc(Br)c1C(=O)O Amb27772595 [0,1,0,0,1,0|1,0,1]=4 1735 B13R1.295 CC(C)c1cccc(Cl)c1C(=O)O Amb27204213 [0,1,0,0,1,0|1,0,1]=4 1736 B13R1.295 CC(C)c1cccc(O)c1C(=O)O Amb8439230 [0,1,0,0,1,0|1,0,1]=4 1737 B13R1.295 CC(F)c1c(Cl)cccc1C(=O)O Amb28129427 [0,1,0,0,1,0|1,0,1]=4 1738 B13R1.295 CC(N)c1c(Br)cccc1C(=O)O Amb28341095 [0,1,0,0,1,0|1,0,1]=4 1739 B13R1.295 CC(N)c1c(Cl)cccc1C(=O)O Amb28058386 [0,1,0,0,1,0|1,0,1]=4 1740 B13R1.295 CC(N)c1c(F)cccc1C(=O)O Amb27601313 [0,1,0,0,1,0|1,0,1]=4 1741 B13R1.295 CN(C)c1cccc(Cl)c1C(=O)O Amb6718062 [0,1,0,0,1,0|2,0,0]=4 1742 B13R1.295 CN(C)c1cccc(F)c1C(=O)O Amb18066096 [0,1,0,0,1,0|2,0,0]=4 1743 B13R1.295 C[C@@H](N)c1cccc(O)c1C(=O)O Amb27433141 [0,1,0,0,1,0|1,0,1]=4 1744 B13R1.295 C[C@H](N)c1c(F)cccc1C(=O)O Amb27609599 [0,1,0,0,1,0|1,0,1]=4 1745 B13R1.295 C[C@H](N)c1c(I)cccc1C(=O)O Amb27236958 [0,1,0,0,1,0|1,0,1]=4 1746 B13R1.295 C[C@H](N)c1cccc(F)c1C(=O)O Amb28365969 [0,1,0,0,1,0|1,0,1]=4 1747 B13R1.295 Cc1cccc(C(=O)O)c1C(=O)O Amb17594608 [0,1,0,0,1,0|1,0,0]=3 1748 B13R1.295 Cc1cccc(C(=O)O)c1C(O)=S Amb24686628 [0,1,0,0,1,0|1,0,1]=4 1749 B13R1.295 Cc1cccc(C(=O)O)c1N(=O)=O Amb6357338 [0,1,0,0,1,0|2,0,0]=4 1750 B13R1.295 Cc1cccc(C(=O)O)c1S(C)=O Amb27657785 [0,1,0,0,1,0|1,0,0]=3 1751 B13R1.295 Cc1cccc(C(=O)O)c1[N+](=O)[O-] Amb495300 [0,1,0,0,1,0|2,0,0]=4 1752 B13R1.295 Cc1cccc(C(C)C)c1C(=O)O Amb17470582 [0,1,0,0,1,0|1,0,1]=4 1753 B13R1.295 Cc1cccc(C(N)=O)c1C(N)=O Amb28249966 [0,1,0,0,1,0|2,0,0]=4 1754 B13R1.295 Cc1cccc(N(=O)=O)c1C(=O)O Amb6357428 [0,1,0,0,1,0|2,0,0]=4 1755 B13R1.295 Cc1cccc(N(C)C)c1C(=O)O Amb18128449 [0,1,0,0,1,0|2,0,0]=4 1756 B13R1.295 Cc1cccc(S(C)=O)c1C(=O)O Amb27848079 [0,1,0,0,1,0|1,0,0]=3 1757 B13R1.295 Cc1cccc([C@@H](C)N)c1C(=O)O Amb28250212 [0,1,0,0,1,0|1,0,1]=4 1758 B13R1.295 Cc1cccc([C@H](C)N)c1C(=O)O Amb28243666 [0,1,0,0,1,0|1,0,1]=4 1759 B13R1.295 Cc1cccc([N+](=O)[O-])c1C(=O)O Amb495320 [0,1,0,0,1,0|2,0,0]=4 1760 B13R1.295 NC(=O)c1c(F)cccc1C(=O)O Amb22495398 [0,1,0,0,1,0|1,0,0]=3 1761 B13R1.295 NC(=O)c1c(O)cccc1C(=O)O Amb27591514 [0,1,0,0,1,0|1,0,0]=3 1762 B13R1.295 NC(=O)c1cccc(Br)c1C(N)=O Amb23400093 [0,1,0,0,1,0|2,0,0]=4 1763 B13R1.295 NC(=O)c1cccc(Cl)c1C(N)=O Amb27474160 [0,1,0,0,1,0|2,0,0]=4 1764 B13R1.295 NC(=O)c1cccc(F)c1C(=O)O Amb22495397 [0,1,0,0,1,0|1,0,0]=3 1765 B13R1.295 NC(=O)c1cccc(N)c1C(N)=O Amb27396124 [0,1,0,0,1,0|2,0,0]=4 1766 B13R1.295 NC(=O)c1nccc(Cl)c1C(=O)O Amb28202606 [0,1,0,0,1,0|2,0,0]=4 1767 B13R1.295 Nc1cccc(C(=O)O)c1C(=O)Cl Amb27224817 [0,1,0,0,1,0|1,0,0]=3 1768 B13R1.295 Nc1cccc(C(=O)O)c1C(=O)O Amb22047266 [0,1,0,0,1,0|1,0,0]=3 1769 B13R1.295 Nc1cccc(C(=O)O)c1C(=O)O Amb33719376 [0,1,0,0,1,0|1,0,0]=3 1770 B13R1.295 Nc1cccc(C(=O)O)c1C(=O)O Amb3940778 [0,1,0,0,1,0|1,0,0]=3 1771 B13R1.295 Nc1cccc(C(=O)O)c1C(=O)O Amb6297245 [0,1,0,0,1,0|1,0,0]=3 1772 B13R1.295 Nc1cccc(C(=O)O)c1[N+](=O)[O-] Amb1022000 [0,1,0,0,1,0|2,0,0]=4 1773 B13R1.295 Nc1cccc(N(=O)=O)c1C(=O)O Amb20620305 [0,1,0,0,1,0|2,0,0]=4 1774 B13R1.295 Nc1cccc([N+](=O)[O-])c1C(=O)O Amb6308520 [0,1,0,0,1,0|2,0,0]=4 1775 B13R1.295 Nc1nccc(C(=O)O)c1C(=O)O Amb27480341 [0,1,0,0,1,0|2,0,0]=4 1776 B13R1.295 O=C(Cl)c1cccc(Br)c1C(=O)Cl Amb26507423 [0,1,0,0,1,0|2,0,0]=4 1777 B13R1.295 O=C(Cl)c1cccc(F)c1C(=O)Cl Amb28323017 [0,1,0,0,1,0|2,0,0]=4 1778 B13R1.295 O=C(O)C1=C(C(=O)O)C(=O)NC=C1 Amb18192236 [0,1,0,0,1,0|2,0,0]=4 1779 B13R1.295 O=C(O)c1c(Br)cccc1[N+](=O)[O-] Amb19957870 [0,1,0,0,1,0|2,0,0]=4 1780 B13R1.295 O=C(O)c1c(Cl)cccc1N(=O)=O Amb20620782 [0,1,0,0,1,0|2,0,0]=4 1781 B13R1.295 O=C(O)c1c(Cl)cccc1[N+](=O)[O-] Amb1091173 [0,1,0,0,1,0|2,0,0]=4 1782 B13R1.295 O=C(O)c1c(F)cccc1N(=O)=O Amb20621328 [0,1,0,0,1,0|2,0,0]=4 1783 B13R1.295 O=C(O)c1c(F)cccc1[N+](=O)[O-] Amb6308508 [0,1,0,0,1,0|2,0,0]=4 1784 B13R1.295 O=C(O)c1c(O)cccc1[N+](=O)[O-] Amb21856812 [0,1,0,0,1,0|2,0,0]=4 1785 B13R1.295 O=C(O)c1ccc[n+]([O-])c1C(=O)O Amb26885652 [0,1,0,0,1,0|2,0,0]=4 1786 B13R1.295 O=C(O)c1cccc(Br)c1C(=O)O Amb18665083 [0,1,0,0,1,0|1,0,0]=3 1787 B13R1.295 O=C(O)c1cccc(Br)c1[N+](=O)[O-] Amb22495494 [0,1,0,0,1,0|2,0,0]=4 1788 B13R1.295 O=C(O)c1cccc(Cl)c1C(=O)O Amb2731451 [0,1,0,0,1,0|1,0,0]=3 1789 B13R1.295 O=C(O)c1cccc(Cl)c1[N+](=O)[O-] Amb2691576 [0,1,0,0,1,0|2,0,0]=4 1790 B13R1.295 O=C(O)c1cccc(F)c1C(=O)O Amb2688402 [0,1,0,0,1,0|1,0,0]=3 1791 B13R1.295 O=C(O)c1cccc(F)c1[N+](=O)[O-] Amb10838826 [0,1,0,0,1,0|2,0,0]=4 1792 B13R1.295 O=C(O)c1cccc(I)c1C(=O)O Amb2722930 [0,1,0,0,1,0|1,0,0]=3 1793 B13R1.295 O=C(O)c1cccc(I)c1[N+](=O)[O-] Amb25771544 [0,1,0,0,1,0|2,0,0]=4 1794 B13R1.295 O=C(O)c1cccc(O)c1C(=O)O Amb17594670 [0,1,0,0,1,0|1,0,0]=3 1795 B13R1.295 O=C(O)c1cccc(O)c1[N+](=O)[O-] Amb6357037 [0,1,0,0,1,0|2,0,0]=4 1796 B13R1.295 O=C(O)c1cccc(S)c1C(=O)O Amb26978553 [0,1,0,0,1,0|1,0,0]=3 1797 B13R1.295 O=C(O)c1ccnc(Cl)c1C(=O)O Amb10602095 [0,1,0,0,1,0|2,0,0]=4 1798 B13R1.295 O=C(O)c1cncc(O)c1C(=O)O Amb27144056 [0,1,0,0,1,0|2,0,0]=4 1799 B13R1.295 O=C([O-])c1cccc(F)c1C(=O)[O-] Amb33513181 [0,1,0,0,1,0|1,0,1]=4 1800 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)Cl Amb1130970 [0,1,0,0,1,0|1,0,1]=4 1801 B13R1.349 CC(=O)c1ccccc1S(C)(=O)=O Amb5721056 [0,1,0,0,1,0|1,0,1]=4 1802 B13R1.349 CC(=O)c1ccccc1S(N)(=O)=O Amb25782594 [0,1,0,0,1,0|1,0,1]=4 1803 B13R1.349 CC(C)(C)c1ccccc1C(=O)O Amb2610680 [0,1,0,0,1,0|1,0,1]=4 1804 B13R1.349 CC(C)(F)c1ccccc1C(=O)O Amb27663684 [0,1,0,0,1,0|1,0,1]=4 1805 B13R1.349 CC(C)(O)c1ccccc1C(=O)O Amb27659331 [0,1,0,0,1,0|0,0,2]=4 1806 B13R1.349 CC(C)(S)c1ccccc1C(=O)O Amb25934610 [0,1,0,0,1,0|0,1,1]=4 1807 B13R1.349 CC(F)(F)c1ccccc1C(=O)O Amb24182094 [0,1,0,0,1,0|1,0,1]=4 1808 B13R1.349 CP(=O)(O)c1ccccc1C(=O)O Amb26840743 [0,1,0,0,1,0|1,0,0]=3 1809 B13R1.349 CP(C)(=O)c1ccccc1C(=O)O Amb3371757 [0,1,0,0,1,0|1,0,0]=3 1810 B13R1.349 CS(=N)(=O)c1ccccc1C(=O)O Amb32668645 [0,1,0,0,1,0|1,0,0]=3 1811 B13R1.349 CS(=N)(=O)c1ncccc1C(=O)O Amb32668624 [0,1,0,0,1,0|2,0,0]=4 1812 B13R1.349 CS(=O)(=O)c1ccccc1C(=O)Cl Amb27394147 [0,1,0,0,1,0|2,0,0]=4 1813 B13R1.349 CS(=O)(=O)c1ccccc1C(=O)O Amb1212344 [0,1,0,0,1,0|1,0,0]=3 1814 B13R1.349 CS(=O)(=O)c1ccccc1C(N)=O Amb25958380 [0,1,0,0,1,0|2,0,0]=4 1815 B13R1.349 CS(=O)(=O)c1cccnc1C(=O)O Amb18653467 [0,1,0,0,1,0|2,0,0]=4 1816 B13R1.349 CS(=O)(=O)c1ncccc1C(=O)O Amb7780242 [0,1,0,0,1,0|2,0,0]=4 1817 B13R1.349 C[N+](C)(C)c1ccccc1C(=O)O Amb27797230 [0,1,0,0,1,0|2,0,0]=4 1818 B13R1.349 NS(=O)(=O)c1ccccc1C(=O)O Amb842836 [0,1,0,0,1,0|2,0,0]=4 1819 B13R1.349 O=C(O)c1ccccc1P(=O)(O)O Amb26868914 [0,1,0,0,1,0|2,0,0]=4 1820 B13R1.349 O=C(O)c1ccccc1S(=O)(=O)Cl Amb16232987 [0,1,0,0,1,0|2,0,0]=4 1821 B13R1.349 O=C(O)c1ccccc1S(=O)(=O)F Amb32667531 [0,1,0,0,1,0|2,0,0]=4 1822 B13R1.349 O=C(O)c1ccccc1S(=O)(=O)O Amb10807552 [0,1,0,0,1,0|2,0,0]=4 1823 B13R1.349 O=C(O)c1ccccc1S(=O)(=O)O Amb1196439 [0,1,0,0,1,0|2,0,0]=4 1824 B13R1.350 CC(=O)C(N)c1ccsc1C(=O)O Amb27404500 [0,1,0,0,1,0|2,0,0]=4 1825 B13R1.350 CC(=O)C(N)c1cscc1C(=O)O Amb27398577 [0,1,0,0,1,0|2,0,0]=4 1826 B13R1.350 CC(=O)N(Cl)c1sccc1C(=O)O Amb27947468 [0,1,0,0,1,0|2,0,0]=4 1827 B13R1.551 COC(=O)c1ccsc1NC(C)=O Amb2425813 [0,1,0,0,1,0|2,0,0]=4 1828 B13R1.551 COC(=O)c1cscc1NC(C)=O Amb2614310 [0,1,0,0,1,0|2,0,0]=4 1829 B13R1.551 COC(=O)c1cscc1OC(C)=O Amb17621436 [0,1,0,0,1,0|1,0,0]=3 1830 B13R1.551 COC(=O)c1sccc1CC(C)=O Amb32876580 [0,1,0,0,1,0|2,0,0]=4 1831 B13R1.551 COC(=O)c1sccc1NC(C)=O Amb2430999 [0,1,0,0,1,0|2,0,0]=4 1832 B13R1.2880 CCC(=O)Nc1ccsc1C(=O)O Amb1112500 [0,1,0,0,1,0|2,0,0]=4 1833 B13R1.2880 CCC(=O)Nc1cscc1C(=O)O Amb18123715 [0,1,0,0,1,0|2,0,0]=4 1834 B13R1.2880 COC(=O)Cc1occc1C(=O)O Amb28556095 [0,1,0,0,1,0|2,0,0]=4 1835 B13R1.2880 COC(=O)Cc1sccc1C(=O)O Amb18130660 [0,1,0,0,1,0|2,0,0]=4 1836 B13R1.2880 COC(=O)Nc1ccsc1C(=O)O Amb6668819 [0,1,0,0,1,0|2,0,0]=4 1837 B13R1.2880 NCC(=O)Nn1cccc1C(=O)O Amb18192156 [0,1,0,0,1,0|2,0,0]=4 1838 B13R1.3487 CC(=O)Cc1oc(C)cc1C(=O)O Amb27776830 [0,1,0,0,1,0|2,0,0]=4 1839 B13R1.3487 CC(=O)Nc1sc(Br)cc1C(=O)O Amb10975381 [0,1,0,0,1,0|2,0,0]=4 1840 B13R1.3487 CC(=O)Nc1sc(C)cc1C(=O)O Amb17068944 [0,1,0,0,1,0|2,0,0]=4 1841 B13R1.3487 CC(=O)Nc1sc(Cl)cc1C(=O)O Amb2429152 [0,1,0,0,1,0|2,0,0]=4 1842 B13R1.3487 CC(=O)OC1CC(=O)C=C1C(=O)O Amb27863960 [0,1,0,0,1,0|0,0,2]=4 1843 B15R1.1086 C=C(C(=O)O)c1ccccc1OC(C)C Amb32880172 [0,1,0,0,0,1|1,0,1]=4 1844 B15R1.1086 CC(=O)Nc1ccccc1C(=O)C(=O)O Amb6565523 [0,1,0,0,0,1|1,0,0]=3 1845 B15R1.1086 CC(=O)Nc1ccccc1C(=O)C(=O)[O-] Amb4417861 [0,1,0,0,0,1|1,0,1]=4 1846 B15R1.1086 CC(C)Oc1ccccc1C(=O)C(=O)O Amb18656064 [0,1,0,0,0,1|1,0,1]=4 1847 B15R1.1086 CC(C)Oc1ccccc1C(C)C(=O)O Amb33171484 [0,1,0,0,0,1|1,0,1]=4 1848 B15R1.1086 CC(C)Oc1ccccc1C(N)C(=O)O Amb33079348 [0,1,0,0,0,1|1,0,1]=4 1849 B15R1.1086 CC(C)Oc1ccccc1C(O)C(=O)O Amb33450170 [0,1,0,0,0,1|1,0,1]=4 1850 B15R1.3845 CC(=O)Nc1ccccc1NC(=O)CCl Amb10608657 [0,1,0,0,0,1|2,0,0]=4 1851 B15R1.3845 CC(=O)Nc1ccccc1NC(=O)CN Amb17125977 [0,1,0,0,0,1|2,0,0]=4 1852 B15R1.3845 CC(=O)Nc1ccccc1OC(C)C=O Amb30020980 [0,1,0,0,0,1|1,0,1]=4 1853 B15R1.3845 CC(C)Oc1ccccc1NC(=O)CO Amb17339237 [0,1,0,0,0,1|1,0,1]=4 1854 B15R1.3845 COC(=O)Nc1ccccc1CC(=O)O Amb19024490 [0,1,0,0,0,1|1,0,0]=3 1855 B15R1.3845 NC(=O)Cc1ccccc1NC(=O)CBr Amb27752234 [0,1,0,0,0,1|2,0,0]=4 1856 B15R1.5836 CC(=O)Oc1ccc(C)cc1OC(C)=O Amb8629251 [0,1,0,0,0,1|1,0,0]=3 1857 B15R1.5836 CC(C)Oc1ccc(F)cc1CC(=O)O Amb18057902 [0,1,0,0,0,1|1,0,1]=4 1858 B15R1.8288 CC(=O)Oc1cccc(F)c1OC(C)=O Amb2782287 [0,1,0,0,0,1|1,0,0]=3 1859 B15R1.9074 CS(=O)(=O)Nc1ccccc1CC(=O)O Amb17935683 [0,1,0,0,0,1|2,0,0]=4 1860 B15R1.508 CC(C)(C)OCc1ccccc1C(=O)O Amb9333095 [0,1,0,0,0,1|1,0,1]=4 1861 B15R1.985 C=C(C)COc1ccccc1C(=O)OC Amb32661566 [0,1,0,0,0,1|1,0,0]=3 1862 B15R1.985 COC(=O)c1ccccc1CCC(=O)O Amb19651927 [0,1,0,0,0,1|2,0,0]=4 1863 B15R1.985 COC(=O)c1ccccc1CCC(C)=O Amb16755469 [0,1,0,0,0,1|1,0,0]=3 1864 B15R1.985 COC(=O)c1ccccc1NCC(N)=O Amb2787038 [0,1,0,0,0,1|2,0,0]=4 1865 B15R1.985 COC(=O)c1ccccc1OCC(=O)O Amb18656724 [0,1,0,0,0,1|1,0,0]=3 1866 B15R1.985 COC(=O)c1ccccc1SCC(=O)O Amb23591212 [0,1,0,0,0,1|1,1,0]=4 1867 B15R1.985 COC(=O)c1ccccc1SCC(C)=O Amb2724614 [0,1,0,0,0,1|0,1,0]=3 1868 B15R1.985 COC(=O)c1ccccc1\C=C\C(C)=O Amb33420040 [0,1,0,0,0,1|1,0,0]=3 1869 B15R1.1108 CC(=O)c1ccccc1OCC(=O)NN Amb2566792 [0,1,0,0,0,1|2,0,0]=4 1870 B15R1.1108 CCC(=O)NNc1ccccc1C(=O)O Amb24070200 [0,1,0,0,0,1|1,0,0]=3 1871 B15R1.1108 CNC(=O)CNc1cnccc1C(=O)O Amb28146654 [0,1,0,0,0,1|2,0,0]=4 1872 B15R1.1108 CNC(=O)COc1ccccc1C(=N)N Amb31128313 [0,1,0,0,0,1|2,0,0]=4 1873 B15R1.1108 CNC(=O)COc1ccccc1C(=O)O Amb6251449 [0,1,0,0,0,1|0,0,0]=2 1874 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)O Amb309632 [0,1,0,0,0,1|0,1,0]=3 1875 B15R1.1108 COC(=O)C#Cc1ccccc1C(=O)O Amb32989925 [0,1,0,0,0,1|1,0,0]=3 1876 B15R1.1108 COC(=O)CCc1ccccc1C(=O)O Amb28905873 [0,1,0,0,0,1|1,0,0]=3 1877 B15R1.1108 COC(=O)CNc1ccccc1C(=O)O Amb1200184 [0,1,0,0,0,1|1,0,0]=3 1878 B15R1.1108 COC(=O)COc1ccccc1C(=O)O Amb6705818 [0,1,0,0,0,1|0,0,0]=2 1879 B15R1.1108 COC(=O)COc1ccccc1C(C)=O Amb1923721 [0,1,0,0,0,1|1,0,0]=3 1880 B15R1.1108 COC(=O)COc1ccccc1C(N)=O Amb534442 [0,1,0,0,0,1|1,0,0]=3 1881 B15R1.1108 COC(=O)COc1ccccc1[N+](=O)[O-] Amb6340329 [0,1,0,0,0,1|1,0,1]=4 1882 B15R1.1108 O=C(CCl)CSc1ccccc1C(=O)O Amb32421554 [0,1,0,0,0,1|0,1,0]=3 1883 B15R1.5509 CC(C)OC(=O)c1ccccc1C(=O)O Amb1227865 [0,1,0,0,0,1|1,0,1]=4 1884 B15R1.5509 CN(CC(=O)O)c1ccccc1C(=O)O Amb1024937 [0,1,0,0,0,1|2,0,0]=4 1885 B15R1.5509 NC(=O)CS(=O)c1ccccc1C(=O)O Amb19007193 [0,1,0,0,0,1|1,1,0]=4 1886 B15R1.5509 O=C(O)CC(=O)c1ccccc1C(=O)O Amb2610160 [0,1,0,0,0,1|2,0,0]=4 1887 B15R1.6620 C=C(C)COc1c(C)cccc1C(C)=O Amb17238114 [0,1,0,0,0,1|2,0,0]=4 1888 B15R1.6620 C=C(C)COc1c(Cl)cccc1C(C)=O Amb17246772 [0,1,0,0,0,1|2,0,0]=4 1889 B15R1.6620 Cc1cccc(C(=O)O)c1CCC(=O)O Amb17595565 [0,1,0,0,0,1|2,0,0]=4 1890 B15R1.6620 Cc1cccc(C(=O)O)c1OCC(=O)O Amb18656723 [0,1,0,0,0,1|1,0,0]=3 1891 B15R1.6620 NC(=O)CNc1c(N)cccc1C(=O)O Amb27621405 [0,1,0,0,0,1|2,0,0]=4 1892 B15R1.6620 O=C(O)COc1c(Cl)cccc1C(=O)O Amb32946090 [0,1,0,0,0,1|1,0,0]=3 1893 B15R1.6620 O=C(O)COc1c(F)cccc1C(=O)O Amb32946371 [0,1,0,0,0,1|1,0,0]=3 1894 B15R1.8265 C=C(C)CNc1cccc(Cl)c1C(=O)O Amb27480410 [0,1,0,0,0,1|2,0,0]=4 1895 B15R1.8265 CC(=O)c1c(O)cccc1OCC(=O)O Amb18656704 [0,1,0,0,0,1|2,0,0]=4 1896 B15R1.8265 Cc1cccc(OCC(=O)O)c1C(=O)O Amb32946370 [0,1,0,0,0,1|1,0,0]=3 1897 B15R1.8265 O=C(O)COc1cccc(F)c1C(=O)O Amb32946278 [0,1,0,0,0,1|1,0,0]=3 1898 B15R1.8415 C=C(C)CNc1ccc(Br)cc1C(=O)O Amb17307087 [0,1,0,0,0,1|2,0,0]=4 1899 B15R1.8415 C=C(C)CNc1ccc(C)cc1C(=O)O Amb27469294 [0,1,0,0,0,1|2,0,0]=4 1900 B15R1.8415 C=C(C)COc1ccc(C)cc1C(C)=O Amb9276504 [0,1,0,0,0,1|2,0,0]=4 1901 B15R1.8415 C=C(C)COc1ccc(Cl)cc1C(C)=O Amb17246771 [0,1,0,0,0,1|2,0,0]=4 1902 B15R1.8415 CC(=O)COc1ccc(Br)cc1[N+](=O)[O-] Amb31291617 [0,1,0,0,0,1|1,0,1]=4 1903 B15R1.8415 CC(=O)c1cc(Br)ccc1OCC(=O)O Amb28906214 [0,1,0,0,0,1|2,0,0]=4 1904 B15R1.8415 CC(=O)c1cc(C)ccc1OCC(=O)O Amb2461060 [0,1,0,0,0,1|2,0,0]=4 1905 B15R1.8415 CC(=O)c1cc(F)ccc1OCC(=O)O Amb21963736 [0,1,0,0,0,1|2,0,0]=4 1906 B15R1.8415 CC(C)COc1ccc(Br)cc1C(=O)O Amb6541555 [0,1,0,0,0,1|1,0,1]=4 1907 B15R1.8415 CC(C)COc1ccc(Cl)cc1C(=O)O Amb3992432 [0,1,0,0,0,1|1,0,1]=4 1908 B15R1.8415 Cc1ccc(CCC(=O)O)c(C(=O)O)c1 Amb17471306 [0,1,0,0,0,1|2,0,0]=4 1909 B15R1.8415 Cc1ccc(OCC(C)C)c(C(=O)O)c1 Amb17109110 [0,1,0,0,0,1|1,0,1]=4 1910 B15R1.8415 NC(=O)c1cc(Br)ccc1OCC(=O)O Amb22167235 [0,1,0,0,0,1|2,0,0]=4 1911 B15R1.8415 O=C(O)CCc1ccc(Cl)cc1C(=O)O Amb17472162 [0,1,0,0,0,1|2,0,0]=4 1912 B15R1.8415 O=C(O)CCc1ccc(F)cc1C(=O)O Amb17471449 [0,1,0,0,0,1|2,0,0]=4 1913 B15R1.8415 O=C(O)CNc1ccc(Br)cc1C(=O)O Amb3940324 [0,1,0,0,0,1|2,0,0]=4 1914 B15R1.8415 O=C(O)COc1ccc(Cl)cc1C(=O)O Amb6912103 [0,1,0,0,0,1|1,0,0]=3 1915 B15R1.8415 O=C(O)COc1ccc(F)cc1C(=O)O Amb18657553 [0,1,0,0,0,1|1,0,0]=3 1916 B15R1.8415 O=C(O)COc1ccc(I)cc1C(=O)O Amb6915516 [0,1,0,0,0,1|1,0,0]=3 1917 B15R1.8435 CC(C)COc1cc(Br)ccc1C(=O)O Amb9025531 [0,1,0,0,0,1|1,0,1]=4 1918 B15R1.8435 CC(C)COc1cc(N)ccc1C(=O)O Amb24091203 [0,1,0,0,0,1|1,0,1]=4 1919 B15R1.8435 Cc1ccc(C(=O)O)c(NCC(N)=O)c1 Amb27390818 [0,1,0,0,0,1|2,0,0]=4 1920 B15R1.8435 O=C(O)CNc1cc(Cl)ccc1C(=O)O Amb8389080 [0,1,0,0,0,1|2,0,0]=4 1921 B15R1.8435 O=C(O)COc1cc(Br)ccc1C(=O)O Amb32946119 [0,1,0,0,0,1|1,0,0]=3 1922 B15R1.8435 O=C(O)COc1cc(Cl)ccc1C(=O)O Amb6912773 [0,1,0,0,0,1|1,0,0]=3 1923 B15R1.8435 O=C(O)COc1cc(F)ccc1C(=O)O Amb22497056 [0,1,0,0,0,1|1,0,0]=3 1924 B15R1.8875 C=C(C)C(=O)Nc1ccccc1C(=O)O Amb6417571 [0,1,0,0,0,1|2,0,0]=4 1925 B15R1.8875 CC(=O)c1ccccc1OC(C)C(C)=O Amb18092914 [0,1,0,0,0,1|1,0,0]=3 1926 B15R1.8875 CC(Oc1ccccc1C(=O)O)C(=O)O Amb8496051 [0,1,0,0,0,1|1,0,0]=3 1927 B15R1.8875 CC(Sc1ccccc1C(=O)O)C(N)=O Amb286572 [0,1,0,0,0,1|1,1,0]=4 1928 B15R1.8875 NC(=O)C(=O)Nc1ccccc1C(=O)O Amb2610249 [0,1,0,0,0,1|2,0,0]=4 1929 B15R1.91 COc1ccc(C(=O)O)c(CC(=O)O)c1 Amb17471396 [0,2,0,0,0,0|2,0,0]=4 1930 B15R1.91 COc1ccc(C(=O)O)c(OC(C)C)c1 Amb19015699 [0,2,0,0,0,0|1,0,1]=4 1931 B15R1.91 COc1ccc(C(C)=O)c(OC(=O)Cl)c1 Amb33296997 [0,2,0,0,0,0|2,0,0]=4 1932 B15R1.134 CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)O Amb1116387 [0,2,0,0,0,0|2,0,0]=4 1933 B15R1.134 CS(=O)(=O)Nc1cc(F)ccc1C(=O)O Amb1131869 [0,2,0,0,0,0|2,0,0]=4 1934 B15R1.3550 CC(=O)Cc1cc(O)cc(O)c1C(=O)O Amb24090073 [0,2,0,0,0,0|1,0,0]=3 1935 B15R1.3550 CC(=O)Oc1cc(C)cc(C)c1C(=O)O Amb21981420 [0,2,0,0,0,0|0,0,0]=2 1936 B15R1.3550 CC(=O)c1c(C)cc(C)cc1OC(=O)Cl Amb33297166 [0,2,0,0,0,0|2,0,0]=4 1937 B15R1.3825 C#CC(=O)Nc1cc(Br)ccc1C(=O)O Amb27610963 [0,2,0,0,0,0|1,0,1]=4 1938 B15R1.3825 C=CC(=O)Nc1cc(Cl)ccc1C(=O)O Amb6271049 [0,2,0,0,0,0|1,0,1]=4 1939 B15R1.3825 CCC(=O)Nc1cc(Br)ccc1C(=O)O Amb28119629 [0,2,0,0,0,0|1,0,0]=3 1940 B15R1.3825 CCC(=O)Nc1cc(Cl)ccc1C(=O)O Amb6434586 [0,2,0,0,0,0|1,0,0]=3 1941 B15R1.3825 CCC(=O)Nc1cc(F)ccc1C(=O)O Amb1131595 [0,2,0,0,0,0|1,0,0]=3 1942 B15R1.3825 CNC(=O)Nc1cc(Br)ccc1C(=O)O Amb27783704 [0,2,0,0,0,0|1,0,0]=3 1943 B15R1.3825 CNC(=O)Nc1cc(F)ccc1C(=O)O Amb18951735 [0,2,0,0,0,0|1,0,0]=3 1944 B15R1.3825 COC(=O)Nc1cc(Br)ccc1C(=O)O Amb28200418 [0,2,0,0,0,0|1,0,0]=3 1945 B15R1.3825 O=C(CCl)Nc1cc(Cl)ccc1C(=O)O Amb2264594 [0,2,0,0,0,0|1,0,0]=3 1946 B15R1.3825 O=C(CCl)Nc1cc(F)ccc1C(=O)O Amb520853 [0,2,0,0,0,0|1,0,0]=3 1947 B15R1.8400 CC(=O)Nc1cc(Cl)c(C)cc1C(=O)O Amb22232245 [0,2,0,0,0,0|1,0,0]=3 1948 B15R1.8400 CC(=O)Nc1cc(F)c(F)cc1C(=O)O Amb18965419 [0,2,0,0,0,0|1,0,0]=3 1949 B15R1.8400 CC(=O)Oc1cc(C)c(C)cc1C(=O)O Amb21984879 [0,2,0,0,0,0|0,0,0]=2 1950 B15R1.8400 CC(=O)Oc1cc(N)c(Cl)cc1C(=O)O Amb8629385 [0,2,0,0,0,0|0,0,0]=2 1951 B15R1.8400 CC(=O)c1cc(Cl)c(Cl)cc1OC(=O)Cl Amb33297136 [0,2,0,0,0,0|2,0,0]=4 1952 B15R1.8400 CC(C)Oc1cc(Cl)c(Cl)cc1C(=O)O Amb18277267 [0,2,0,0,0,0|1,0,1]=4 1953 B15R1.8400 CC(C)Oc1cc(F)c(F)cc1C(=O)O Amb34911648 [0,2,0,0,0,0|1,0,1]=4 1954 B15R1.8400 Cc1cc(OC(C)C)c(C(=O)O)cc1Cl Amb18055916 [0,2,0,0,0,0|1,0,1]=4 1955 B15R1.8400 NC(=O)Nc1cc(F)c(F)cc1C(=O)O Amb18287629 [0,2,0,0,0,0|2,0,0]=4 1956 B15R1.8419 CC(=O)Oc1c(C(=O)O)ccc(C)c1C Amb21981419 [0,2,0,0,0,0|0,0,0]=2 1957 B15R1.8419 CC(=O)c1ccc(Cl)c(Cl)c1OC(=O)Cl Amb33296995 [0,2,0,0,0,0|2,0,0]=4 1958 B15R1.11677 CCC(=O)c1ccc(C)cc1OC(=O)Cl Amb33297158 [0,2,0,0,0,0|2,0,0]=4 1959 B15R1.11677 COC(=O)c1ccc(Br)cc1NC(C)=O Amb15415332 [0,2,0,0,0,0|1,0,0]=3 1960 B15R1.11677 COC(=O)c1ccc(Br)cc1OC(C)C Amb32411346 [0,2,0,0,0,0|1,0,1]=4 1961 B15R1.11677 COC(=O)c1ccc(N)cc1OC(C)C Amb30869490 [0,2,0,0,0,0|1,0,1]=4 1962 B15R1.984 C=C(C(=O)O)c1ccccc1C(=O)OC Amb33420365 [0,2,0,0,0,0|2,0,0]=4 1963 B15R1.984 COC(=O)c1ccccc1C(=O)C(=O)O Amb33420150 [0,2,0,0,0,0|2,0,0]=4 1964 B15R1.984 COC(=O)c1ccccc1C(C)C(=O)O Amb33359279 [0,2,0,0,0,0|2,0,0]=4 1965 B15R1.984 COC(=O)c1ccccc1C(N)C(=O)O Amb20670121 [0,2,0,0,0,0|2,0,0]=4 1966 B15R1.984 COC(=O)c1ccccc1C(O)C(=O)O Amb33224677 [0,2,0,0,0,0|2,0,0]=4 1967 B15R1.1343 CCC(=O)C(Cl)c1ccccc1C(=O)O Amb17477508 [0,2,0,0,0,0|1,0,0]=3 1968 B15R1.1343 CCC(=O)N(C)c1ccccc1C(=O)O Amb1121157 [0,2,0,0,0,0|1,0,0]=3 1969 B15R1.1343 CN(C(=O)CO)c1ccccc1C(=O)O Amb5798067 [0,2,0,0,0,0|1,0,0]=3 1970 B15R1.1343 COC(=O)N(C)c1ccccc1C(=O)O Amb6668744 [0,2,0,0,0,0|1,0,0]=3 1971 B15R1.1372 CCC(C(=O)O)c1ccccc1C(=O)O Amb17845072 [0,2,0,0,0,0|2,0,0]=4 1972 B15R1.9034 CN(c1ccccc1C(=O)O)S(C)(=O)=O Amb6367786 [0,2,0,0,0,0|2,0,0]=4 1973 B15R1.810 C=C(C)Cc1ccccc1C(=O)OCC Amb2699901 [0,2,0,0,0,0|2,0,0]=4 1974 B15R1.810 CCNC(=O)c1ccccc1NC(C)=O Amb11247455 [0,2,0,0,0,0|2,0,0]=4 1975 B15R1.810 CCOC(=O)c1ccccc1CC(C)=O Amb2699947 [0,2,0,0,0,0|1,0,0]=3 1976 B15R1.810 CCOC(=O)c1ccccc1OC(C)=O Amb22277130 [0,2,0,0,0,0|0,0,0]=2 1977 B15R1.810 CCOC(=O)c1ccccc1OC(N)=O Amb28905903 [0,2,0,0,0,0|1,0,0]=3 1978 B15R1.925 CC(=O)Nc1ccc(Cl)cc1C(=O)NN Amb841762 [0,2,0,0,0,0|2,0,0]=4 1979 B15R1.925 CCC(=O)c1cc(Br)ccc1OC(=O)Cl Amb33297009 [0,2,0,0,0,0|2,0,0]=4 1980 B15R1.925 CCC(=O)c1cc(Cl)ccc1OC(=O)Cl Amb33297028 [0,2,0,0,0,0|2,0,0]=4 1981 B15R1.925 COC(=O)c1cc(Br)ccc1NC(C)=O Amb841679 [0,2,0,0,0,0|1,0,0]=3 1982 B15R1.925 COC(=O)c1cc(Br)ccc1OC(C)C Amb26304510 [0,2,0,0,0,0|1,0,1]=4 1983 B15R1.925 COC(=O)c1cc(C)ccc1NS(C)=O Amb28062910 [0,2,0,0,0,0|2,0,0]=4 1984 B15R1.925 COC(=O)c1cc(C)ccc1OC(C)C Amb18940406 [0,2,0,0,0,0|1,0,1]=4 1985 B15R1.925 COC(=O)c1cc(Cl)ccc1NC(C)=O Amb841678 [0,2,0,0,0,0|1,0,0]=3 1986 B15R1.925 COC(=O)c1cc(Cl)ccc1OC(C)C Amb18940394 [0,2,0,0,0,0|1,0,1]=4 1987 B15R1.925 COC(=O)c1cc(F)ccc1OC(C)C Amb18275926 [0,2,0,0,0,0|1,0,1]=4 1988 B15R1.925 COC(=O)c1cc(N)ccc1OC(C)C Amb9860766 [0,2,0,0,0,0|1,0,1]=4 1989 B15R1.925 COC(=O)c1cc(O)ccc1NC(C)=O Amb2612464 [0,2,0,0,0,0|1,0,0]=3 1990 B15R1.3847 C#CC(=O)Nc1ccccc1C(=O)OC Amb9487846 [0,2,0,0,0,0|1,0,1]=4 1991 B15R1.3847 C=CC(=O)Nc1ccccc1C(=O)OC Amb9481042 [0,2,0,0,0,0|1,0,1]=4 1992 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)OC Amb6417248 [0,2,0,0,0,0|1,0,0]=3 1993 B15R1.3847 CNC(=O)Nc1ccccc1C(=O)OC Amb25925283 [0,2,0,0,0,0|1,0,0]=3 1994 B15R1.3847 CNC(=S)Nc1ccccc1C(=O)OC Amb8008967 [0,2,0,0,0,0|1,1,0]=4 1995 B15R1.3847 COC(=O)Cc1ccccc1C(=O)OC Amb9677758 [0,2,0,0,0,0|1,0,0]=3 1996 B15R1.3847 COC(=O)c1ccccc1NC(=O)CBr Amb4311203 [0,2,0,0,0,0|1,0,0]=3 1997 B15R1.3847 COC(=O)c1ccccc1NC(=O)CCl Amb1208873 [0,2,0,0,0,0|1,0,0]=3 1998 B15R1.3847 COC(=O)c1ccccc1NC(=O)CN Amb5783103 [0,2,0,0,0,0|1,0,0]=3 1999 B15R1.3847 COC(=O)c1ccccc1NC(=O)CO Amb5798048 [0,2,0,0,0,0|1,0,0]=3 2000 B15R1.3847 COC(=O)c1ccccc1NC(=O)NN Amb18568626 [0,2,0,0,0,0|2,0,0]=4 2001 B15R1.11372 COC(=O)c1ccccc1NS(C)(=O)=O Amb6347415 [0,2,0,0,0,0|2,0,0]=4 2002 B15R1.11372 COC(=O)c1ccccc1OS(N)(=O)=O Amb33055542 [0,2,0,0,0,0|2,0,0]=4 2003 B15R1.38499 COC(=O)c1cccc(Cl)c1CC(=O)O Amb32651932 [0,2,0,0,0,0|2,0,0]=4 2004 B15R1.38499 COC(=O)c1cccc(F)c1OC(C)C Amb34911849 [0,2,0,0,0,0|1,0,1]=4 2005 B15R1.38499 COC(=O)c1cccc(N)c1OC(C)C Amb28906013 [0,2,0,0,0,0|1,0,1]=4 2006 B15R1.38499 COC(=O)c1cccc(N)c1OC(C)C Amb33172793 [0,2,0,0,0,0|1,0,1]=4 2007 B15R1.5832 CC(=O)Nc1ccc(N)cc1S(=O)(=O)O Amb22232246 [0,2,0,0,0,0|2,0,0]=4 2008 B15R1.1274 C#CCC(=O)Nc1ccccc1C(=O)O Amb27808306 [0,2,0,0,0,0|1,0,0]=3 2009 B15R1.1274 C=CCC(=O)Nc1cnccc1C(=O)O Amb27595781 [0,2,0,0,0,0|2,0,0]=4 2010 B15R1.1274 CC#CC(=O)Nc1ccccc1C(=O)O Amb27162944 [0,2,0,0,0,0|1,0,0]=3 2011 B15R1.1274 CC#CC(=O)Nc1ncccc1C(=O)O Amb27951113 [0,2,0,0,0,0|2,0,0]=4 2012 B15R1.1274 CC(=O)c1ccccc1NC(=O)CCBr Amb32427281 [0,2,0,0,0,0|2,0,0]=4 2013 B15R1.1274 CC(=O)c1ccccc1NC(=O)CCCl Amb2111169 [0,2,0,0,0,0|2,0,0]=4 2014 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)O Amb6405526 [0,2,0,0,0,0|1,0,0]=3 2015 B15R1.1274 CCCC(=O)Nc1ccccc1C(C)=O Amb6274350 [0,2,0,0,0,0|2,0,0]=4 2016 B15R1.1274 CCCC(=O)Nc1ccccc1C(N)=O Amb6337700 [0,2,0,0,0,0|2,0,0]=4 2017 B15R1.1274 CCCC(=O)Nc1ccncc1C(=O)O Amb27236030 [0,2,0,0,0,0|2,0,0]=4 2018 B15R1.1274 CCCC(=O)Oc1ccccc1[N+](=O)[O-] Amb21964391 [0,2,0,0,0,0|1,0,1]=4 2019 B15R1.1274 CCNC(=O)Nc1ccccc1C(=O)O Amb4411695 [0,2,0,0,0,0|1,0,0]=3 2020 B15R1.1274 CCNC(=S)Nc1ccccc1C(=O)O Amb23129357 [0,2,0,0,0,0|1,1,0]=4 2021 B15R1.1274 CCN\C(C)=N/c1ccccc1C(=O)O Amb24106945 [0,2,0,0,0,0|2,0,0]=4 2022 B15R1.1274 CCOC(=O)Cc1ncccc1C(=O)O Amb1233275 [0,2,0,0,0,0|2,0,0]=4 2023 B15R1.1274 CCOC(=O)Nc1ccccc1C(=O)O Amb2550352 [0,2,0,0,0,0|1,0,0]=3 2024 B15R1.1274 CCOC(=O)Nc1ccccc1C(N)=O Amb1481354 [0,2,0,0,0,0|2,0,0]=4 2025 B15R1.1274 CCOC(=O)Nc1ccncc1C(=O)O Amb28067897 [0,2,0,0,0,0|2,0,0]=4 2026 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)O Amb2605955 [0,2,0,0,0,0|1,0,0]=3 2027 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)O Amb404588 [0,2,0,0,0,0|1,0,0]=3 2028 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)O Amb1118039 [0,2,0,0,0,0|1,0,0]=3 2029 B15R1.1274 COCC(=O)Nc1ccccc1C(C)=O Amb6208214 [0,2,0,0,0,0|2,0,0]=4 2030 B15R1.1274 C\C=C\C(=O)Nc1ccccc1C(=O)O Amb4379126 [0,2,0,0,0,0|1,0,0]=3 2031 B15R1.1274 C\C=C\C(=O)Nc1ccccc1C(N)=O Amb4006459 [0,2,0,0,0,0|2,0,0]=4 2032 B15R1.1274 N#CCC(=O)Nc1ccccc1C(=O)O Amb1207297 [0,2,0,0,0,0|1,0,0]=3 2033 B15R1.1274 N#CCC(=O)Nc1ccccc1C(=O)[O-] Amb34916722 [0,2,0,0,0,0|1,0,1]=4 2034 B15R1.1274 NC(=O)c1ccccc1NC(=O)CCCl Amb6892932 [0,2,0,0,0,0|2,0,0]=4 2035 B15R1.1274 NC(=O)c1ccccc1NC(=O)OCCl Amb35628691 [0,2,0,0,0,0|2,0,0]=4 2036 B15R1.1274 NCCC(=O)Nc1ccccc1C(=O)O Amb18305470 [0,2,0,0,0,0|1,0,0]=3 2037 B15R1.1274 NCCC(=O)Nc1ccccc1C(N)=O Amb5785030 [0,2,0,0,0,0|2,0,0]=4 2038 B15R1.1274 O=C(CCBr)Nc1ccccc1C(=O)O Amb28207913 [0,2,0,0,0,0|1,0,0]=3 2039 B15R1.1274 O=C(CCCl)Nc1ccccc1C(=O)O Amb6802870 [0,2,0,0,0,0|1,0,0]=3 2040 B15R1.1274 O=C(Nc1ccccc1C(=O)O)OCCl Amb35628698 [0,2,0,0,0,0|1,0,0]=3 2041 B15R1.1274 O=C(\C=C\O)Nc1ccccc1C(=O)O Amb3699464 [0,2,0,0,0,0|1,0,1]=4 2042 B15R1.1274 O=C(\C=N\O)Nc1ccccc1C(=O)O Amb24092864 [0,2,0,0,0,0|1,0,1]=4 2043 B15R1.2996 C#CC(=O)Nc1ccc(Br)cc1C(=O)O Amb28044460 [0,2,0,0,0,0|1,0,1]=4 2044 B15R1.2996 C#CC(=O)Nc1ccc(I)cc1C(=O)O Amb27773178 [0,2,0,0,0,0|1,0,1]=4 2045 B15R1.2996 CC(C#N)Oc1ccc(Cl)cc1C(=O)O Amb18981156 [0,2,0,0,0,0|1,0,1]=4 2046 B15R1.2996 CC(C#N)Oc1ccc(I)cc1C(=O)O Amb27464153 [0,2,0,0,0,0|1,0,1]=4 2047 B15R1.2996 CCC(=O)Nc1ccc(Br)cc1C(=O)O Amb6434584 [0,2,0,0,0,0|1,0,0]=3 2048 B15R1.2996 CCC(=O)Nc1ccc(Cl)cc1C(=O)O Amb1121593 [0,2,0,0,0,0|1,0,0]=3 2049 B15R1.2996 CCC(=O)Nc1ccc(N)cc1C(=O)O Amb32676673 [0,2,0,0,0,0|1,0,0]=3 2050 B15R1.2996 CCC(=O)Nc1ccc(O)cc1C(=O)O Amb6405067 [0,2,0,0,0,0|1,0,0]=3 2051 B15R1.2996 CCC(=O)Oc1ccc(N)cc1C(=O)O Amb24071001 [0,2,0,0,0,0|0,0,0]=2 2052 B15R1.2996 CCS(=O)Nc1ccc(Cl)cc1C(=O)O Amb28437117 [0,2,0,0,0,0|2,0,0]=4 2053 B15R1.2996 CCS(=O)Nc1ccc(O)cc1C(=O)O Amb28286113 [0,2,0,0,0,0|2,0,0]=4 2054 B15R1.2996 CNC(=O)Nc1ccc(F)cc1C(=O)O Amb18951738 [0,2,0,0,0,0|1,0,0]=3 2055 B15R1.2996 CNC(=O)Nc1ccc(I)cc1C(=O)O Amb27458211 [0,2,0,0,0,0|1,0,0]=3 2056 B15R1.2996 CNC(=S)Nc1ccc(Br)cc1C(=O)O Amb23494598 [0,2,0,0,0,0|1,1,0]=4 2057 B15R1.2996 CNC(=S)Nc1ccc(Cl)cc1C(=O)O Amb23494590 [0,2,0,0,0,0|1,1,0]=4 2058 B15R1.2996 COC(=O)Nc1ccc(Br)cc1C(=O)O Amb27780343 [0,2,0,0,0,0|1,0,0]=3 2059 B15R1.2996 COC(=O)Nc1ccc(F)cc1C(=O)O Amb6668864 [0,2,0,0,0,0|1,0,0]=3 2060 B15R1.2996 O=C(CCl)Nc1ccc(Cl)cc1C(=O)O Amb1242851 [0,2,0,0,0,0|1,0,0]=3 2061 B15R1.2996 O=C(CO)Nc1ccc(O)cc1C(=O)O Amb5798047 [0,2,0,0,0,0|1,0,0]=3 2062 B15R1.5720 CCC(CC)=Nc1ccccc1C(=O)O Amb24100573 [0,2,0,0,0,0|2,0,0]=4 2063 B15R1.7707 CC(C)(C=O)Cc1ccccc1C(=O)O Amb33730885 [0,2,0,0,0,0|1,0,1]=4 2064 B15R1.7707 CCS(=O)(=O)Cc1ccccc1C(=O)O Amb9333187 [0,2,0,0,0,0|2,0,0]=4 2065 B15R1.7707 CCS(=O)(=O)Nc1ccccc1C(=O)O Amb1111700 [0,2,0,0,0,0|2,0,0]=4 2066 B15R1.13377 C#CC(=O)Nc1cccc(C)c1C(=O)O Amb27628480 [0,2,0,0,0,0|1,0,1]=4 2067 B15R1.13377 C#CC(=O)Nc1cccc(F)c1C(=O)O Amb9301663 [0,2,0,0,0,0|1,0,1]=4 2068 B15R1.13377 C#CC(C)Oc1cccc(Br)c1C(=O)O Amb28397052 [0,2,0,0,0,0|1,0,1]=4 2069 B15R1.13377 C=CC(=O)Nc1cccc(C)c1C(=O)O Amb28424069 [0,2,0,0,0,0|1,0,1]=4 2070 B15R1.13377 C=CC(=O)Nc1cccc(Cl)c1C(=O)O Amb27431566 [0,2,0,0,0,0|1,0,1]=4 2071 B15R1.13377 CCC(=O)Nc1cccc(C)c1C(=O)O Amb18655764 [0,2,0,0,0,0|1,0,0]=3 2072 B15R1.13377 CCC(=O)Nc1cccc(Cl)c1C(=O)O Amb27391846 [0,2,0,0,0,0|1,0,0]=3 2073 B15R1.13377 CNC(=O)Nc1cccc(Cl)c1C(=O)O Amb28144256 [0,2,0,0,0,0|1,0,0]=3 2074 B15R1.13377 CNC(=O)Oc1cccc(N)c1C(=O)O Amb27828469 [0,2,0,0,0,0|0,0,0]=2 2075 B15R1.40363 C#CC(C)Oc1c(C)cccc1C(=O)O Amb27408927 [0,2,0,0,0,0|1,0,1]=4 2076 B15R1.40363 C=CC(=O)Nc1c(Br)cccc1C(=O)O Amb28200354 [0,2,0,0,0,0|1,0,1]=4 2077 B15R1.40363 C=CC(=O)Nc1c(Cl)cccc1C(=O)O Amb27174680 [0,2,0,0,0,0|1,0,1]=4 2078 B15R1.40363 CCC(=O)Nc1c(Cl)cccc1C(=O)O Amb8625052 [0,2,0,0,0,0|1,0,0]=3 2079 B15R1.40363 CCS(=O)Nc1c(C)cccc1C(=O)O Amb27431941 [0,2,0,0,0,0|2,0,0]=4 2080 B15R1.40363 CNC(=O)Nc1c(Br)cccc1C(=O)O Amb27243225 [0,2,0,0,0,0|1,0,0]=3 2081 B15R1.40363 CNC(=O)Nc1c(C)cccc1C(=O)O Amb18951729 [0,2,0,0,0,0|1,0,0]=3 2082 B15R1.40363 COC(=O)Nc1c(Br)cccc1C(=O)O Amb27602782 [0,2,0,0,0,0|1,0,0]=3 2083 B15R1.40363 Cc1cccc(C(=O)O)c1NC(=O)CCl Amb518676 [0,2,0,0,0,0|1,0,0]=3 2084 B15R1.3560 CC(=O)Nc1c(Br)cc(Br)cc1C(C)=O Amb31291107 [0,2,0,0,0,0|2,0,0]=4 2085 B15R1.3560 CC(=O)Nc1c(C)cc(C)cc1C(=O)O Amb8626018 [0,2,0,0,0,0|1,0,0]=3 2086 B15R1.3560 CC(=O)Oc1c(Br)cc(C)cc1C(=O)O Amb21981430 [0,2,0,0,0,0|0,0,0]=2 2087 B15R1.3560 CC(=O)Oc1c(C)cc(C)cc1C(=O)O Amb21981422 [0,2,0,0,0,0|0,0,0]=2 2088 B15R1.3560 CC(=O)Oc1c(Cl)cc(C)cc1C(=O)O Amb21981424 [0,2,0,0,0,0|0,0,0]=2 2089 B15R1.3560 CC(=O)c1cc(Br)cc(Cl)c1OC(=O)Cl Amb33297353 [0,2,0,0,0,0|2,0,0]=4 2090 B15R1.3560 CC(C)Oc1c(Br)cc(Br)cc1C(=O)O Amb27208291 [0,2,0,0,0,0|1,0,1]=4 2091 B15R1.3560 CC(C)Oc1c(F)cc(F)cc1C(=O)O Amb33042383 [0,2,0,0,0,0|1,0,1]=4 2092 B15R1.3560 Cc1cc(Br)cc(C(=O)O)c1OC(C)C Amb23287281 [0,2,0,0,0,0|1,0,1]=4 2093 B15R1.3560 Cc1cc(C)c(NS(C)=O)c(C(=O)O)c1 Amb27212763 [0,2,0,0,0,0|2,0,0]=4 2094 B15R1.3560 Cc1cc(C)c(OC(C)C)c(C(=O)O)c1 Amb18057417 [0,2,0,0,0,0|1,0,1]=4 2095 B15R1.6597 CC(C)(C)Oc1c(F)cccc1C(=O)O Amb18994274 [0,2,0,0,0,0|1,0,1]=4 2096 B15R1.6597 CC(C)(C)Oc1c(N)cccc1C(=O)O Amb27405669 [0,2,0,0,0,0|1,0,1]=4 2097 B15R1.6597 CS(=O)(=O)Nc1c(Br)cccc1C(=O)O Amb27773484 [0,2,0,0,0,0|2,0,0]=4 2098 B15R1.6597 CS(=O)(=O)Nc1c(Cl)cccc1C(=O)O Amb27210707 [0,2,0,0,0,0|2,0,0]=4 2099 B15R1.6597 Cc1cccc(C(=O)O)c1NS(C)(=O)=O Amb1114991 [0,2,0,0,0,0|2,0,0]=4 2100 B15R1.8425 CC(=O)Nc1c(C)ccc(C)c1C(=O)O Amb24105942 [0,2,0,0,0,0|1,0,0]=3 2101 B15R1.8425 CC(=O)Oc1c(C)ccc(C)c1C(=O)O Amb21981421 [0,2,0,0,0,0|0,0,0]=2 2102 B15R1.8425 Cc1ccc(C)c(C(=O)O)c1OC(C)C Amb18056967 [0,2,0,0,0,0|1,0,1]=4 2103 B15R1.12643 CC(=O)Oc1c(C#N)cccc1[N+](=O)[O-] Amb8426520 [0,2,0,0,0,0|1,0,1]=4 2104 B15R1.12643 CC(C)Oc1c(C=O)cccc1C(=O)O Amb32687842 [0,2,0,0,0,0|1,0,1]=4 2105 B15R1.12643 COc1cccc(C(=O)O)c1CC(=O)O Amb17471395 [0,2,0,0,0,0|2,0,0]=4 2106 B15R1.12643 COc1cccc(C(=O)O)c1OC(C)=O Amb6298176 [0,2,0,0,0,0|0,0,0]=2 2107 B15R1.12643 COc1cccc(C(=O)O)c1OC(C)C Amb9331619 [0,2,0,0,0,0|1,0,1]=4 2108 B15R1.1647 CCc1cccc(NC(C)=O)c1C(=O)O Amb20620177 [0,2,0,0,0,0|1,0,0]=3 2109 B15R1.1647 COc1cccc(NC(C)=O)c1C(=O)O Amb33856669 [0,2,0,0,0,0|1,0,0]=3 2110 B15R1.1647 COc1cccc(OC(=O)Cl)c1C(C)=O Amb33297372 [0,2,0,0,0,0|2,0,0]=4 2111 B15R1.8297 CC(C)(C)Oc1cccc(Cl)c1C(=O)O Amb7792793 [0,2,0,0,0,0|1,0,1]=4 2112 B15R1.8297 CS(=O)(=O)Nc1cccc(Cl)c1C(=O)O Amb22497129 [0,2,0,0,0,0|2,0,0]=4 2113 B15R1.8456 CC(C)Oc1ccc(F)c(F)c1C(=O)O Amb34911462 [0,2,0,0,0,0|1,0,1]=4 2114 B15R1.1927 CC(=O)Oc1ccc(C#N)cc1N(=O)=O Amb24053078 [0,2,0,0,0,0|1,0,1]=4 2115 B15R1.1927 CCc1ccc(CC(=O)O)c(C(=O)O)c1 Amb17471305 [0,2,0,0,0,0|2,0,0]=4 2116 B15R1.1927 CCc1ccc(NC(C)=O)c(C(=O)O)c1 Amb2582747 [0,2,0,0,0,0|1,0,0]=3 2117 B15R1.1927 CCc1ccc(NS(C)=O)c(C(=O)O)c1 Amb28437094 [0,2,0,0,0,0|2,0,0]=4 2118 B15R1.1927 CCc1ccc(OC(C)=O)c(C(=O)O)c1 Amb18656058 [0,2,0,0,0,0|0,0,0]=2 2119 B15R1.1927 COc1ccc(CC(=O)O)c(C(=O)O)c1 Amb1102861 [0,2,0,0,0,0|2,0,0]=4 2120 B15R1.1927 COc1ccc(NC(C)=O)c(C(=O)O)c1 Amb2731850 [0,2,0,0,0,0|1,0,0]=3 2121 B15R1.1927 COc1ccc(NC(N)=O)c(C(=O)O)c1 Amb27964418 [0,2,0,0,0,0|2,0,0]=4 2122 B15R1.1927 COc1ccc(NS(C)=O)c(C(=O)O)c1 Amb27249410 [0,2,0,0,0,0|2,0,0]=4 2123 B15R1.1927 COc1ccc(OC(=O)Cl)c(C(C)=O)c1 Amb33296744 [0,2,0,0,0,0|2,0,0]=4 2124 B15R1.1927 COc1ccc(OC(C)=O)c(C(=O)O)c1 Amb18656729 [0,2,0,0,0,0|0,0,0]=2 2125 B15R1.8453 CC(C)(C)Oc1ccc(N)cc1C(=O)O Amb18970803 [0,2,0,0,0,0|1,0,1]=4 2126 B15R1.8453 CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O Amb1117057 [0,2,0,0,0,0|2,0,0]=4 2127 B15R1.8453 CS(=O)(=O)Nc1ccc(F)cc1C(=O)O Amb6279172 [0,2,0,0,0,0|2,0,0]=4 2128 B15R1.8453 CS(=O)(=O)Nc1ccc(N)cc1C(=O)O Amb9468114 [0,2,0,0,0,0|2,0,0]=4 2129 B15R1.8453 CS(=O)(=O)Nc1ccc(O)cc1C(=O)O Amb18977852 [0,2,0,0,0,0|2,0,0]=4 2130 B15R1.8453 CS(=O)(=O)Oc1ccc(Br)cc1C(=O)O Amb27485568 [0,2,0,0,0,0|1,0,0]=3 2131 B15R1.8453 Cc1ccc(NS(C)(=O)=O)c(C(=O)O)c1 Amb6275296 [0,2,0,0,0,0|2,0,0]=4 2132 B13R1.13 CC(=O)c1cc(C(=O)O)ccc1C Amb17201601 [0,0,1,1,0,0|1,0,1]=4 2133 B13R1.13 CC(=O)c1cc(C(=O)O)ccc1Cl Amb25244510 [0,0,1,1,0,0|2,0,0]=4 2134 B13R1.13 CC(=O)c1cc(C(=O)O)ccc1F Amb26345774 [0,0,1,1,0,0|2,0,0]=4 2135 B13R1.13 CC(=O)c1cc(C(=O)O)ccc1N Amb25775930 [0,0,1,1,0,0|2,0,0]=4 2136 B13R1.13 CC(=O)c1cc(C(=O)O)ccc1O Amb1139217 [0,0,1,1,0,0|2,0,0]=4 2137 B13R1.56 C=Cc1cc(O)cc(OC(C)=O)c1 Amb17607354 [0,0,1,1,0,0|1,0,0]=3 2138 B13R1.128 CC(=O)\C=C\C=C\c1ccc(C)o1 Amb28351672 [0,0,1,1,0,0|2,0,0]=4 2139 B13R1.128 Cc1ccc(\C=C\C=C\C(=O)O)s1 Amb28189697 [0,0,1,1,0,0|1,1,0]=4 2140 B13R1.3801 CC(=O)c1cccc(C(=O)O)c1N Amb27865537 [0,0,1,1,0,0|2,0,0]=4 2141 B13R1.3801 CC(=O)c1cccc(C(=O)O)c1O Amb18128537 [0,0,1,1,0,0|2,0,0]=4 2142 B13R2.72 CC(=O)N1OCc2ccccc21 Amb27756375 [1,0,0,1,0,0|1,0,1]=4 2143 B13R2.72 CC(=O)c1occ2ccccc12 Amb18199846 [1,0,0,1,0,0|1,0,0]=3 2144 B13R2.72 CC(=O)c1onc2ccccc12 Amb27209683 [1,0,0,1,0,0|2,0,0]=4 2145 B13R2.72 CC(=O)n1ccc2ccccc21 Amb4148705 [1,0,0,1,0,0|2,0,0]=4 2146 B13R2.72 CC(=O)n1ncc2ccccc21 Amb22235128 [1,0,0,1,0,0|2,0,0]=4 2147 B13R2.72 O=C(O)c1occ2ccccc12 Amb6357074 [1,0,0,1,0,0|2,0,0]=4 2148 B13R2.163 O=C1CCCc2ccccc2O1 Amb22900954 [1,0,0,1,0,0|1,0,1]=4 2149 B13R2.163 O=C1COCc2ccccc2N1 Amb19516346 [1,0,0,1,0,0|1,0,1]=4 2150 B13R2.243 CC1(C)Oc2ccccc2C1=O Amb26849546 [1,0,0,1,0,0|1,0,1]=4 2151 B13R2.328 CC1=CC(=O)Oc2ccccc21 Amb20001467 [1,0,0,1,0,0|1,0,1]=4 2152 B13R2.328 CC1=CC(=O)c2ccccc2N1 Amb18368798 [1,0,0,1,0,0|2,0,0]=4 2153 B13R2.328 CC1=CC(=O)c2ccccc2O1 Amb19666848 [1,0,0,1,0,0|1,0,0]=3 2154 B13R2.328 CC1=CC(=O)c2ccccc2S1 Amb20414518 [1,0,0,1,0,0|1,1,0]=4 2155 B13R2.328 CC1=CC(=O)c2cnccc2O1 Amb28202041 [1,0,0,1,0,0|2,0,0]=4 2156 B13R2.328 CC1=Cc2ccccc2C(=O)O1 Amb20247502 [1,0,0,1,0,0|1,0,1]=4 2157 B13R2.328 CC1=NC(=O)c2ccccc2N1 Amb19844242 [1,0,0,1,0,0|2,0,0]=4 2158 B13R2.328 CC1=Nc2ccccc2C(=O)N1 Amb17997717 [1,0,0,1,0,0|2,0,0]=4 2159 B13R2.328 CC1=Nc2ccccc2C(=O)O1 Amb18800494 [1,0,0,1,0,0|1,0,1]=4 2160 B13R2.328 CC1CC(=O)c2ccccc2O1 Amb9398195 [1,0,0,1,0,0|1,0,1]=4 2161 B13R2.328 CC1NC(=O)c2ccccc2O1 Amb2184910 [1,0,0,1,0,0|1,0,1]=4 2162 B13R2.328 C[C@@H]1CC(=O)c2ccccc2O1 Amb25713529 [1,0,0,1,0,0|1,0,1]=4 2163 B13R2.328 Cc1cc(O)c2ccccc2n1 Amb1796824 [1,0,0,1,0,0|2,0,0]=4 2164 B13R2.328 Cc1cc2ccccc2c(O)n1 Amb18645154 [1,0,0,1,0,0|2,0,0]=4 2165 B13R2.328 Cc1nc(=O)c2ccccc2o1 Amb344572 [1,0,0,1,0,0|1,0,0]=3 2166 B13R2.328 Cc1nc(O)c2ccccc2n1 Amb6540413 [1,0,0,1,0,0|2,0,0]=4 2167 B13R2.328 Cc1nc2ccccc2c(=O)o1 Amb1216866 [1,0,0,1,0,0|1,0,1]=4 2168 B13R2.328 NC1=CC(=O)Oc2ccccc21 Amb18645456 [1,0,0,1,0,0|1,0,1]=4 2169 B13R2.328 NC1=CC(=O)c2ccccc2O1 Amb19870090 [1,0,0,1,0,0|1,0,1]=4 2170 B13R2.328 O=C1C=C(Br)c2ccccc2O1 Amb20248285 [1,0,0,1,0,0|1,0,1]=4 2171 B13R2.328 O=C1C=C(Cl)Oc2ccccc21 Amb28140666 [1,0,0,1,0,0|1,0,1]=4 2172 B13R2.328 O=C1C=C(Cl)c2ccccc2O1 Amb20414537 [1,0,0,1,0,0|1,0,1]=4 2173 B13R2.328 O=C1C=C(I)c2ccccc2O1 Amb27442019 [1,0,0,1,0,0|1,0,1]=4 2174 B13R2.328 O=C1C=C(O)c2ccccc2N1 Amb18002636 [1,0,0,1,0,0|1,0,1]=4 2175 B13R2.328 O=C1C=C(O)c2ccccc2O1 Amb18372000 [1,0,0,1,0,0|0,0,1]=3 2176 B13R2.328 O=C1C=C(O)c2ccccc2S1 Amb19517275 [1,0,0,1,0,0|0,1,1]=4 2177 B13R2.328 O=C1C=C(S)Oc2ccccc21 Amb27407667 [1,0,0,1,0,0|0,1,1]=4 2178 B13R2.328 O=C1C=C(S)c2ccccc2O1 Amb24446596 [1,0,0,1,0,0|0,1,1]=4 2179 B13R2.328 O=C1CC(=O)N2C=CC=CC2=N1 Amb17662604 [1,0,0,1,0,0|2,0,0]=4 2180 B13R2.328 O=C1CC(=O)c2ccccc2N1 Amb22263121 [1,0,0,1,0,0|1,0,0]=3 2181 B13R2.328 O=C1CC(=O)c2ccccc2O1 Amb19748567 [1,0,0,1,0,0|0,0,0]=2 2182 B13R2.328 O=C1CC(=O)n2ccccc2=N1 Amb6318176 [1,0,0,1,0,0|2,0,0]=4 2183 B13R2.328 O=C1CC(=S)Oc2ccccc21 Amb27193516 [1,0,0,1,0,0|0,1,0]=3 2184 B13R2.328 O=C1CC(O)Oc2ccccc21 Amb28461168 [1,0,0,1,0,0|0,0,2]=4 2185 B13R2.328 O=C1CC(O)c2ccccc2N1 Amb27592921 [1,0,0,1,0,0|1,0,1]=4 2186 B13R2.328 O=C1CC(O)c2ccccc2O1 Amb8385084 [1,0,0,1,0,0|0,0,1]=3 2187 B13R2.328 O=C1Cc2ccccc2C(=O)N1 Amb1221580 [1,0,0,1,0,0|2,0,0]=4 2188 B13R2.328 O=C1Cc2ccccc2C(=O)O1 Amb1157145 [1,0,0,1,0,0|2,0,0]=4 2189 B13R2.328 O=C1NC(=O)c2ccccc2N1 Amb18005794 [1,0,0,1,0,0|2,0,0]=4 2190 B13R2.328 O=C1NC(=O)c2ccccc2O1 Amb20243206 [1,0,0,1,0,0|1,0,0]=3 2191 B13R2.328 O=C1NC(=O)c2ccccc2S1 Amb22036855 [1,0,0,1,0,0|1,1,0]=4 2192 B13R2.328 O=C1NC(=S)Oc2ccccc21 Amb27170743 [1,0,0,1,0,0|1,1,0]=4 2193 B13R2.328 O=C1NC(=S)c2ccccc2O1 Amb27870853 [1,0,0,1,0,0|1,1,0]=4 2194 B13R2.328 O=C1Nc2ccccc2C(=O)O1 Amb18183505 [1,0,0,1,0,0|2,0,0]=4 2195 B13R2.581 CC1Cc2cccc(C=O)c2O1 Amb18829765 [1,0,0,1,0,0|1,0,1]=4 2196 B13R2.581 Cc1cc2cccc(C=O)c2o1 Amb8010031 [1,0,0,1,0,0|1,0,0]=3 2197 B13R2.581 Cc1nc2c(C=O)cccc2o1 Amb22276059 [1,0,0,1,0,0|1,0,1]=4 2198 B13R2.581 Cc1nc2c(C=O)cccc2s1 Amb23401748 [1,0,0,1,0,0|1,1,0]=4 2199 B13R2.581 Cc1nc2cccc(C=O)c2s1 Amb18195961 [1,0,0,1,0,0|1,1,0]=4 2200 B13R2.581 Cc1nc2cccc(CO)c2o1 Amb4079438 [1,0,0,1,0,0|1,0,1]=4 2201 B13R2.581 O=C1Cc2cccc(CCl)c2O1 Amb28343108 [1,0,0,1,0,0|1,0,1]=4 2202 B13R2.581 O=C1Cc2cccc(CO)c2N1 Amb27636206 [1,0,0,1,0,0|1,0,1]=4 2203 B13R2.581 O=Cc1cccc2c1CC(=O)N2 Amb18830141 [1,0,0,1,0,0|2,0,0]=4 2204 B13R2.581 O=Cc1cccc2c1NC(=O)C2 Amb18830117 [1,0,0,1,0,0|1,0,0]=3 2205 B13R2.581 O=Cc1cccc2c1NC(=O)N2 Amb18829869 [1,0,0,1,0,0|2,0,0]=4 2206 B13R2.581 O=Cc1cccc2c1OC(=O)N2 Amb33533599 [1,0,0,1,0,0|1,0,0]=3 2207 B13R2.581 O=Cc1cccc2c1SC(=O)N2 Amb18824742 [1,0,0,1,0,0|1,1,0]=4 2208 B13R2.581 O=Cc1cccc2c1SC(=O)O2 Amb18824562 [1,0,0,1,0,0|1,1,0]=4 2209 B13R2.581 O=Cc1cccc2nc(Br)oc12 Amb26894829 [1,0,0,1,0,0|2,0,0]=4 2210 B13R2.581 O=Cc1cccc2nc(I)oc12 Amb26056373 [1,0,0,1,0,0|2,0,0]=4 2211 B13R2.621 O=Cc1ccccc1OC2CC2 Amb28144985 [1,0,0,1,0,0|1,0,1]=4 2212 B13R2.2931 COC1OC(=O)c2ccccc21 Amb2611631 [1,0,0,1,0,0|2,0,0]=4 2213 B13R2.2931 CO[IH2]1OC(=O)c2ccccc21 Amb27393085 [1,0,0,1,0,0|2,0,0]=4 2214 B13R2.2931 C\C=C1/NC(=O)c2ccccc21 Amb27770785 [1,0,0,1,0,0|2,0,0]=4 2215 B13R2.2931 C\C=C1\NC(=O)c2ccccc21 Amb28052972 [1,0,0,1,0,0|2,0,0]=4 2216 B13R2.2931 O=CN1NC(=O)c2ccccc21 Amb27167808 [1,0,0,1,0,0|2,0,0]=4 2217 B13R2.5252 O=C1CCC=Cc2ccccc21 Amb27802729 [1,0,0,1,0,0|2,0,0]=4 2218 B13R2.5252 O=C1CCCOc2ccccc21 Amb33545871 [1,0,0,1,0,0|1,0,1]=4 2219 B13R2.5252 O=C1NCC=Nc2ccccc21 Amb23592207 [1,0,0,1,0,0|2,0,0]=4 2220 B13R2.5252 O=C1NCCOc2ccccc21 Amb2445337 [1,0,0,1,0,0|1,0,1]=4 2221 B13R2.5252 O=C1NN=COc2ccccc21 Amb2416930 [1,0,0,1,0,0|2,0,0]=4 2222 B13R2.5514 O=C(O)c1ccccc1C2CC2 Amb575697 [1,0,0,1,0,0|1,0,1]=4 2223 B13R2.5514 O=C(O)c1ccccc1C2CO2 Amb27488378 [1,0,0,1,0,0|2,0,0]=4 2224 B13R2.5569 CC(=O)c1cccc2c1OCC2 Amb10603301 [1,0,0,1,0,0|1,0,1]=4 2225 B13R2.5569 CC(=O)c1cccc2ccoc12 Amb16185462 [1,0,0,1,0,0|1,0,1]=4 2226 B13R2.5569 CC(=O)c1cccc2ncoc12 Amb6384260 [1,0,0,1,0,0|2,0,0]=4 2227 B13R2.5569 NC(=O)c1cccc2ccoc12 Amb32794539 [1,0,0,1,0,0|1,0,1]=4 2228 B13R2.5569 O=C(Cl)c1cccc2c1OCC2 Amb2723019 [1,0,0,1,0,0|1,0,1]=4 2229 B13R2.5569 O=C(O)c1cccc2c1C=CC2 Amb18645284 [1,0,0,1,0,0|1,0,0]=3 2230 B13R2.5569 O=C(O)c1cccc2c1CCC2 Amb10610329 [1,0,0,1,0,0|1,0,1]=4 2231 B13R2.5569 O=C(O)c1cccc2c1CNC2 Amb18829483 [1,0,0,1,0,0|2,0,0]=4 2232 B13R2.5569 O=C(O)c1cccc2c1CNC2 Amb32721628 [1,0,0,1,0,0|2,0,0]=4 2233 B13R2.5569 O=C(O)c1cccc2c1COC2 Amb22901076 [1,0,0,1,0,0|2,0,0]=4 2234 B13R2.5569 O=C(O)c1cccc2c1NCC2 Amb18645821 [1,0,0,1,0,0|1,0,1]=4 2235 B13R2.5569 O=C(O)c1cccc2c1OCC2 Amb2687296 [1,0,0,1,0,0|0,0,1]=3 2236 B13R2.5569 O=C(O)c1cccc2c1OCN2 Amb33133016 [1,0,0,1,0,0|1,0,1]=4 2237 B13R2.5569 O=C(O)c1cccc2c1OCO2 Amb538416 [1,0,0,1,0,0|0,0,2]=4 2238 B13R2.5569 O=C(O)c1cccc2ccoc12 Amb10603968 [1,0,0,1,0,0|0,0,1]=3 2239 B13R2.5569 O=C(O)c1cccc2ccsc12 Amb1995222 [1,0,0,1,0,0|0,1,1]=4 2240 B13R2.5569 O=C(O)c1cccc2ncoc12 Amb17130908 [1,0,0,1,0,0|1,0,0]=3 2241 B13R2.5569 O=C(O)c1cccc2ncsc12 Amb19957786 [1,0,0,1,0,0|1,1,0]=4 2242 B13R2.5569 O=C(O)c1cccc2nnoc12 Amb26632899 [1,0,0,1,0,0|2,0,0]=4 2243 B13R2.5569 O=C(O)c1cccc2occc12 Amb10603966 [1,0,0,1,0,0|1,0,1]=4 2244 B13R2.5569 O=C(O)c1cccc2ocnc12 Amb17130929 [1,0,0,1,0,0|1,0,1]=4 2245 B13R2.5569 O=C(O)c1cccc2sccc12 Amb9783320 [1,0,0,1,0,0|1,1,0]=4 2246 B13R2.5569 O=C(O)c1cccc2scnc12 Amb22728897 [1,0,0,1,0,0|1,1,0]=4 2247 B13R2.5569 O=C(O)c1ccnc2ncoc12 Amb27186825 [1,0,0,1,0,0|2,0,0]=4 2248 B13R2.5569 O=C(O)c1cncc2c1OCC2 Amb27646738 [1,0,0,1,0,0|1,0,1]=4 2249 B13R2.5569 O=C(O)c1cncc2ccoc12 Amb18829557 [1,0,0,1,0,0|1,0,1]=4 2250 B13R2.5569 O=C(O)c1nccc2c1OCC2 Amb27240006 [1,0,0,1,0,0|1,0,1]=4 2251 B13R2.371 CC1=NNC(=O)c2ccccc21 Amb19132657 [0,0,0,1,1,0|2,0,0]=4 2252 B13R2.371 CC1=NOC(=O)c2ccccc21 Amb21927595 [0,0,0,1,1,0|1,0,0]=3 2253 B13R2.371 Cc1ccc(O)c2ccccc12 Amb17200159 [0,0,0,1,1,0|2,0,0]=4 2254 B13R2.371 Cc1cnc(O)c2ccccc12 Amb18645157 [0,0,0,1,1,0|2,0,0]=4 2255 B13R2.371 Cc1nnc(O)c2ccccc12 Amb2371419 [0,0,0,1,1,0|2,0,0]=4 2256 B13R2.371 O=C1C=CC(=O)c2ccccc21 Amb8513654 [0,0,0,1,1,0|1,0,1]=4 2257 B13R2.371 O=C1CCC(=O)c2ccccc21 Amb24054332 [0,0,0,1,1,0|1,0,0]=3 2258 B13R2.371 O=C1CCC(=O)c2ncccc21 Amb25940184 [0,0,0,1,1,0|2,0,0]=4 2259 B13R2.371 O=C1CCC(O)c2ccccc21 Amb22170418 [0,0,0,1,1,0|1,0,1]=4 2260 B13R2.371 O=C1CC[C@H](O)c2ccccc21 Amb24690507 [0,0,0,1,1,0|1,0,1]=4 2261 B13R2.371 O=C1CN=C(Cl)c2ccccc21 Amb28077322 [0,0,0,1,1,0|2,0,0]=4 2262 B13R2.371 O=C1CNC(=O)c2ccccc21 Amb22372293 [0,0,0,1,1,0|1,0,0]=3 2263 B13R2.371 O=C1CNC(=O)c2ncccc21 Amb18829831 [0,0,0,1,1,0|2,0,0]=4 2264 B13R2.371 O=C1COC(=O)c2ccccc21 Amb24078409 [0,0,0,1,1,0|0,0,0]=2 2265 B13R2.371 O=C1COC(O)c2ccccc21 Amb27948576 [0,0,0,1,1,0|0,0,2]=4 2266 B13R2.371 O=C1NNC(=O)c2ccccc21 Amb18800603 [0,0,0,1,1,0|2,0,0]=4 2267 B13R2.371 O=C1OCC(Cl)c2ccccc21 Amb27165775 [0,0,0,1,1,0|1,0,1]=4 2268 B13R2.371 O=C1OCC(O)c2ccccc21 Amb27978275 [0,0,0,1,1,0|0,0,2]=4 2269 B13R2.12159 CC1(C)OC(=O)c2ccccc21 Amb17778630 [0,0,0,1,1,0|1,0,1]=4 2270 B13R2.12159 CS1(=O)=NC(=O)c2ccccc21 Amb31251514 [0,0,0,1,1,0|2,0,0]=4 2271 B13R2.12159 O=C1CS(=O)(=O)c2ccccc21 Amb8629508 [0,0,0,1,1,0|1,0,1]=4 2272 B13R2.12159 O=C1OI(=O)(O)c2ccccc21 Amb3358706 [0,0,0,1,1,0|2,0,0]=4 2273 B13R2.12159 O=C1OS(=O)(=O)c2ccccc21 Amb2700804 [0,0,0,1,1,0|2,0,0]=4 2274 B13R2.12973 O=C(O)c1cccc2c1C(=O)C2 Amb17778829 [0,0,0,1,1,0|0,0,0]=2 2275 B15R2.988 CC(=O)C1=CC(=O)Nc2ccccc21 Amb25785159 [0,0,0,1,0,1|2,0,0]=4 2276 B15R2.988 CC(=O)N1CC(=O)Nc2ccccc21 Amb1670560 [0,0,0,1,0,1|2,0,0]=4 2277 B15R2.988 Cc1cc(C(=O)O)c2ccccc2c1 Amb18649277 [0,0,0,1,0,1|2,0,0]=4 2278 B15R2.988 Cc1cc(C(=O)O)c2ccccc2n1 Amb6315556 [0,0,0,1,0,1|2,0,0]=4 2279 B15R2.988 Cc1cc2ccccc2c(C(=O)O)n1 Amb19100580 [0,0,0,1,0,1|2,0,0]=4 2280 B15R2.988 Cc1nc(C(=O)O)c2ccccc2n1 Amb32757696 [0,0,0,1,0,1|2,0,0]=4 2281 B15R2.988 Cc1nc(C(=O)O)c2ccccc2n1 Amb9783162 [0,0,0,1,0,1|2,0,0]=4 2282 B15R2.988 NC(=O)C1CC(=O)Nc2ccccc21 Amb25059205 [0,0,0,1,0,1|2,0,0]=4 2283 B15R2.988 NC(=O)C1OC(=O)Cc2ccccc21 Amb27478029 [0,0,0,1,0,1|2,0,0]=4 2284 B15R2.988 O=C(O)C1CC(O)=Nc2ccccc21 Amb4256199 [0,0,0,1,0,1|1,0,1]=4 2285 B15R2.988 O=C1C=C(C(=O)O)c2ccccc2C1 Amb27231850 [0,0,0,1,0,1|1,0,1]=4 2286 B15R2.988 O=C1C=C(C(=O)O)c2ccccc2N1 Amb18013046 [0,0,0,1,0,1|1,0,1]=4 2287 B15R2.988 O=C1C=C(C(=O)O)c2ccccc2N1 Amb22586945 [0,0,0,1,0,1|1,0,1]=4 2288 B15R2.988 O=C1C=C(C(=O)O)c2ccccc2O1 Amb27232981 [0,0,0,1,0,1|0,0,1]=3 2289 B15R2.988 O=C1CC(C(=O)Cl)c2ccccc2N1 Amb27439049 [0,0,0,1,0,1|2,0,0]=4 2290 B15R2.988 O=C1CC(C(=O)O)N2C=CC=CC2=N1 Amb17844934 [0,0,0,1,0,1|2,0,0]=4 2291 B15R2.988 O=C1CC(C(=O)O)c2ccccc2N1 Amb9704503 [0,0,0,1,0,1|1,0,0]=3 2292 B15R2.988 O=C1CC(C(=O)O)c2cccnc2N1 Amb33018301 [0,0,0,1,0,1|2,0,0]=4 2293 B15R2.988 O=C1Cc2ccccc2C(C(=O)O)C1 Amb27641578 [0,0,0,1,0,1|1,0,0]=3 2294 B15R2.988 O=C1Cc2ccccc2C(C(=O)O)N1 Amb26919087 [0,0,0,1,0,1|2,0,0]=4 2295 B15R2.988 O=C1N=C(C(=O)O)c2ccccc2N1 Amb18548460 [0,0,0,1,0,1|2,0,0]=4 2296 B15R2.988 O=C1N=C(C(=O)O)c2ccccc2N1 Amb22587698 [0,0,0,1,0,1|2,0,0]=4 2297 B15R2.988 O=C1Nc2ccccc2C(C(=O)O)O1 Amb28245489 [0,0,0,1,0,1|2,0,0]=4 2298 B15R2.1106 CC1Cc2cccc(CC(=O)O)c2O1 Amb18817573 [0,0,0,1,0,1|1,0,1]=4 2299 B15R2.1106 Cc1cc2c(CC(=O)O)cccc2o1 Amb18819733 [0,0,0,1,0,1|1,0,1]=4 2300 B15R2.1106 Cc1nc2c(CC(=O)O)cccc2o1 Amb18818951 [0,0,0,1,0,1|1,0,1]=4 2301 B15R2.1106 Cc1nc2c(CC(=O)O)cccc2s1 Amb18779215 [0,0,0,1,0,1|1,1,0]=4 2302 B15R2.1106 Cc1nc2cccc(CC(=O)O)c2o1 Amb26608505 [0,0,0,1,0,1|1,0,0]=3 2303 B15R2.1106 Cc1nc2cccc(CC(=O)O)c2s1 Amb25780677 [0,0,0,1,0,1|1,1,0]=4 2304 B15R2.1106 Cc1nc2ccnc(CC(=O)O)c2o1 Amb18817846 [0,0,0,1,0,1|2,0,0]=4 2305 B15R2.1106 NC(=O)Cc1cccc2c1NC(=O)C2 Amb27462403 [0,0,0,1,0,1|2,0,0]=4 2306 B15R2.1106 Nc1nc2cccc(CC(=O)O)c2o1 Amb27625209 [0,0,0,1,0,1|2,0,0]=4 2307 B15R2.1106 O=C(O)Cc1cccc2c1CC(=O)N2 Amb8386809 [0,0,0,1,0,1|2,0,0]=4 2308 B15R2.1106 O=C(O)Cc1cccc2c1NC(=O)C2 Amb18650726 [0,0,0,1,0,1|1,0,0]=3 2309 B15R2.1106 O=C(O)Cc1cccc2c1NC(=O)N2 Amb18817850 [0,0,0,1,0,1|2,0,0]=4 2310 B15R2.1106 O=C(O)Cc1cccc2nc(Br)oc12 Amb25961158 [0,0,0,1,0,1|2,0,0]=4 2311 B15R2.1106 O=C(O)Cc1cccc2nc(F)oc12 Amb26532740 [0,0,0,1,0,1|2,0,0]=4 2312 B15R2.1106 O=C(O)Cc1cccc2nc(I)oc12 Amb26419305 [0,0,0,1,0,1|2,0,0]=4 2313 B15R2.1106 O=C(O)Cc1cccc2nc(O)oc12 Amb27246803 [0,0,0,1,0,1|1,0,1]=4 2314 B15R2.1106 O=C(O)Cc1cccc2nc(S)oc12 Amb27428131 [0,0,0,1,0,1|1,1,0]=4 2315 B15R2.16134 O=C(O)C1c2ccccc2C1C(=O)O Amb27408940 [0,0,0,1,0,1|2,0,0]=4 2316 B15R2.16134 O=C(O)[C@@H]1c2ccccc2[C@@H]1C(=O)O Amb27401959 [0,0,0,1,0,1|2,0,0]=4 2317 B15R2.59956 O=C1N=C2C(=CC=CC=C2C(=O)O)N1 Amb27974871 [0,0,0,1,0,1|2,0,0]=4 2318 B15R2.384 CC(=O)c1cccc2c1OCC(=O)N2 Amb17570515 [0,0,0,1,0,1|2,0,0]=4 2319 B15R2.384 CC1COc2c(cccc2C(=O)O)N1 Amb26969991 [0,0,0,1,0,1|1,0,1]=4 2320 B15R2.384 Cc1cc2cccc(C(=O)O)c2cn1 Amb27780536 [0,0,0,1,0,1|2,0,0]=4 2321 B15R2.384 Cc1ccc2c(C(=O)O)cccc2c1 Amb22002081 [0,0,0,1,0,1|2,0,0]=4 2322 B15R2.384 Cc1cnc2c(C(=O)O)cccc2n1 Amb8009876 [0,0,0,1,0,1|2,0,0]=4 2323 B15R2.384 NC(=O)c1cccc2c1CCC(=O)C2 Amb28124701 [0,0,0,1,0,1|2,0,0]=4 2324 B15R2.384 NC1COc2c(cccc2C(=O)O)C1 Amb32658218 [0,0,0,1,0,1|1,0,1]=4 2325 B15R2.384 O=C1CCc2c(cccc2C(=O)O)N1 Amb18650723 [0,0,0,1,0,1|2,0,0]=4 2326 B15R2.384 O=C1CNc2c(cccc2C(=O)O)N1 Amb27213222 [0,0,0,1,0,1|2,0,0]=4 2327 B15R2.384 O=C1COc2c(cccc2C(=O)O)N1 Amb18816814 [0,0,0,1,0,1|1,0,0]=3 2328 B15R2.384 O=C1COc2c(ccnc2C(=O)O)N1 Amb28135726 [0,0,0,1,0,1|2,0,0]=4 2329 B15R2.384 O=C1Nc2cccc(C(=O)O)c2CO1 Amb28052993 [0,0,0,1,0,1|1,0,0]=3 2330 B15R2.1084 C=C1CN(c2ccccc2C(=O)O)C1 Amb30028102 [0,0,0,1,0,1|2,0,0]=4 2331 B15R2.14951 CC(=O)C1=CC(=O)c2ccccc2O1 Amb27871263 [0,0,0,1,0,1|1,0,0]=3 2332 B15R2.14951 CC(=O)C1=Cc2ccccc2C(=O)N1 Amb27401122 [0,0,0,1,0,1|2,0,0]=4 2333 B15R2.14951 CC(=O)C1=Nc2ccccc2C(=O)N1 Amb22488765 [0,0,0,1,0,1|2,0,0]=4 2334 B15R2.14951 CC(=O)C1Cc2ccccc2C(=O)O1 Amb483250 [0,0,0,1,0,1|1,0,0]=3 2335 B15R2.14951 CC(=O)N1CC(=O)c2ccccc2C1 Amb18820473 [0,0,0,1,0,1|2,0,0]=4 2336 B15R2.14951 CC(=O)c1cc(O)c2ccccc2c1 Amb27972988 [0,0,0,1,0,1|2,0,0]=4 2337 B15R2.14951 CC(=O)c1cc(O)c2ccccc2n1 Amb28289598 [0,0,0,1,0,1|2,0,0]=4 2338 B15R2.14951 NC(=O)C1CC(=O)c2ccccc2O1 Amb33724495 [0,0,0,1,0,1|2,0,0]=4 2339 B15R2.14951 NC(=O)C1Cc2ccccc2C(=O)O1 Amb24443026 [0,0,0,1,0,1|2,0,0]=4 2340 B15R2.14951 O=C(Cl)C1=CC(=O)c2ccccc2O1 Amb21937110 [0,0,0,1,0,1|2,0,0]=4 2341 B15R2.14951 O=C(O)C1=CC(=O)c2ccccc2O1 Amb19078126 [0,0,0,1,0,1|2,0,0]=4 2342 B15R2.14951 O=C(O)C1=Cc2ccccc2C(=O)O1 Amb18528332 [0,0,0,1,0,1|2,0,0]=4 2343 B15R2.14951 O=C(O)c1cc(=O)c2ccccc2o1 Amb1151866 [0,0,0,1,0,1|2,0,0]=4 2344 B15R2.14951 O=C([O-])C1=CC(=O)c2ccccc2O1 Amb22489449 [0,0,0,1,0,1|2,0,0]=4 2345 B15R2.14951 O=C1CC(C(=O)O)Oc2ccccc21 Amb5723972 [0,0,0,1,0,1|2,0,0]=4 2346 B15R2.14951 O=C1OC(C(=O)O)Cc2ccccc21 Amb1211949 [0,0,0,1,0,1|2,0,0]=4 2347 B15R2.14951 O=C1O[C@H](C(=O)O)Cc2ccccc21 Amb28193707 [0,0,0,1,0,1|2,0,0]=4 2348 B15R2.16319 O=C(O)c1ccccc1OCC2CC2 Amb6718119 [0,0,0,1,0,1|1,0,1]=4 2349 B15R2.16319 O=C(O)c1ccccc1OCC2CO2 Amb6740309 [0,0,0,1,0,1|0,0,2]=4 2350 B15R2.53147 CC(=O)NC1OC(=O)c2ccccc21 Amb22442905 [0,0,0,1,0,1|1,0,0]=3 2351 B15R2.53147 CC(=O)OC1C=C(C)c2ccccc21 Amb17778913 [0,0,0,1,0,1|2,0,0]=4 2352 B15R2.53147 CC(=O)OC1OC(=O)c2ccccc21 Amb17850786 [0,0,0,1,0,1|0,0,0]=2 2353 B15R2.53147 CC(=O)O[IH2]1OC(=O)c2ccccc21 Amb25733584 [0,0,0,1,0,1|0,0,0]=2 2354 B15R2.53147 CC(=S)NC1OC(=O)c2ccccc21 Amb27454950 [0,0,0,1,0,1|1,1,0]=4 2355 B15R2.53147 CC(C)OC1OC(=O)c2ccccc21 Amb4012599 [0,0,0,1,0,1|1,0,1]=4 2356 B15R2.53147 NC(=O)CC1OC(=O)c2ccccc21 Amb542824 [0,0,0,1,0,1|2,0,0]=4 2357 B15R2.53147 NC(=O)NC1OC(=O)c2ccccc21 Amb2420495 [0,0,0,1,0,1|2,0,0]=4 2358 B15R2.53147 O=C(O)CC1OC(=O)c2ccccc21 Amb2589484 [0,0,0,1,0,1|2,0,0]=4 2359 B15R2.53147 O=C(O)\C=C1/OC(=O)c2ccccc21 Amb19517108 [0,0,0,1,0,1|2,0,0]=4 2360 B15R2.53147 O=C(O)\C=C1\OC(=O)c2ccccc21 Amb6543421 [0,0,0,1,0,1|2,0,0]=4 2361 B15R2.69035 CC1(C)COc2c(C(=O)O)cccc21 Amb8439731 [0,0,0,1,0,1|1,0,1]=4 2362 B15R2.7328 O=C1CCC(=O)c2ccc(Cl)cc2N1 Amb24399850 [0,1,0,1,0,0|2,0,0]=4 2363 B15R2.7328 O=C1CCC(=O)c2ccc(F)cc2N1 Amb26637636 [0,1,0,1,0,0|2,0,0]=4 2364 B15R2.7328 O=C1CCC(=O)c2ccc(I)cc2N1 Amb27219529 [0,1,0,1,0,0|2,0,0]=4 2365 B15R2.7328 O=C1CNC(=O)c2ccc(Cl)cc2N1 Amb19888449 [0,1,0,1,0,0|2,0,0]=4 2366 B15R2.14565 Cc1cc2c(Br)ccc(C(=O)O)c2o1 Amb28206662 [0,1,0,1,0,0|1,0,0]=3 2367 B15R2.14565 Cc1cc2c(Br)ccc(C(=O)O)c2s1 Amb28135119 [0,1,0,1,0,0|1,1,0]=4 2368 B15R2.14565 Cc1cc2c(C(=O)O)ccc(C)c2s1 Amb27487400 [0,1,0,1,0,0|1,1,0]=4 2369 B15R2.14565 Cc1cc2c(C(=O)O)ccc(F)c2s1 Amb27446294 [0,1,0,1,0,0|1,1,0]=4 2370 B15R2.14565 Cc1cc2c(C(=O)O)ccc(I)c2s1 Amb27850211 [0,1,0,1,0,0|1,1,0]=4 2371 B15R2.14565 Cc1cc2c(C(=O)O)ccc(N)c2s1 Amb27619473 [0,1,0,1,0,0|1,1,0]=4 2372 B15R2.14565 Cc1cc2c(C)ccc(C(=O)O)c2s1 Amb27966358 [0,1,0,1,0,0|1,1,0]=4 2373 B15R2.14565 Cc1cc2c(Cl)ccc(C(=O)O)c2o1 Amb27849665 [0,1,0,1,0,0|1,0,0]=3 2374 B15R2.14565 Cc1cc2c(S)ccc(C(=O)O)c2s1 Amb27202917 [0,1,0,1,0,0|1,1,0]=4 2375 B15R2.14565 Cc1ccc(C(=O)O)c2c1NC(=O)N2 Amb27169264 [0,1,0,1,0,0|2,0,0]=4 2376 B15R2.14565 Cc1nc2c(C(=O)O)ccc(Cl)c2s1 Amb27958819 [0,1,0,1,0,0|1,1,0]=4 2377 B15R2.14565 Cc1nc2c(Cl)ccc(C(=O)O)c2s1 Amb27793648 [0,1,0,1,0,0|1,1,0]=4 2378 B15R2.14565 O=C1Nc2c(Cl)cnc(C(=O)O)c2O1 Amb27813748 [0,1,0,1,0,0|2,0,0]=4 2379 B15R2.14565 O=C1Nc2c(F)ccc(C(=O)Cl)c2O1 Amb27831992 [0,1,0,1,0,0|2,0,0]=4 2380 B15R2.14743 CC(=O)N1CC(=O)c2ccc(Cl)cc21 Amb27876573 [0,1,0,1,0,0|2,0,0]=4 2381 B15R2.14743 CC(=O)N1CC(=O)c2ccc(F)cc21 Amb23590113 [0,1,0,1,0,0|2,0,0]=4 2382 B15R2.14743 CC(=O)n1cc(O)c2ccc(Cl)cc21 Amb27400571 [0,1,0,1,0,0|2,0,0]=4 2383 B15R2.14743 CC(=O)n1cc(O)c2ccc(F)cc21 Amb26965149 [0,1,0,1,0,0|2,0,0]=4 2384 B15R2.14743 O=C1OC(C(=O)O)c2cc(F)ccc21 Amb18189103 [0,1,0,1,0,0|2,0,0]=4 2385 B15R2.14743 O=C1OC(C(=O)O)c2cc(O)ccc21 Amb18815610 [0,1,0,1,0,0|2,0,0]=4 2386 B15R2.63911 CC1(C)OC(=O)c2ccc(N)cc2O1 Amb27444636 [0,1,0,1,0,0|1,0,1]=4 2387 B15R2.1107 CN1C(=O)Cc2cccc(C(=O)O)c21 Amb25935219 [0,1,0,1,0,0|1,0,0]=3 2388 B15R2.1107 Cc1cc2cccc(C(=O)O)c2n1C Amb28125818 [0,1,0,1,0,0|2,0,0]=4 2389 B15R2.1107 Cc1nc2cccc(C(=O)O)c2n1C Amb27258981 [0,1,0,1,0,0|2,0,0]=4 2390 B15R2.1107 Cc1sc2cccc(C(=O)O)c2c1C Amb27625446 [0,1,0,1,0,0|1,1,0]=4 2391 B15R2.1107 Cc1sc2cccc(C(=O)O)c2c1N Amb28136580 [0,1,0,1,0,0|1,1,0]=4 2392 B15R2.1107 Cc1sc2cccc(C(=O)O)c2c1O Amb27220670 [0,1,0,1,0,0|1,1,0]=4 2393 B15R2.1107 O=C1Nc2cccc(C(=O)O)c2C1=O Amb22750805 [0,1,0,1,0,0|2,0,0]=4 2394 B15R2.7340 CN1C(=O)CNC(=O)c2ccccc21 Amb2928038 [0,1,0,1,0,0|2,0,0]=4 2395 B15R2.14628 CC(=O)C1=CNC(=O)c2ccccc21 Amb22495362 [0,1,0,1,0,0|2,0,0]=4 2396 B15R2.14628 CC(=O)C1=COC(=O)c2ccccc21 Amb27628189 [0,1,0,1,0,0|1,0,0]=3 2397 B15R2.14628 CC(=O)N1CCC(=O)c2ccccc21 Amb16971728 [0,1,0,1,0,0|2,0,0]=4 2398 B15R2.14628 CC(=O)c1ccc(O)c2ccccc12 Amb17594809 [0,1,0,1,0,0|2,0,0]=4 2399 B15R2.14628 O=C(O)C1=COC(=O)c2ccccc21 Amb18650314 [0,1,0,1,0,0|2,0,0]=4 2400 B15R2.14628 O=C(O)C1=NOC(=O)c2ccccc21 Amb20000914 [0,1,0,1,0,0|2,0,0]=4 2401 B15R2.147885 CC1(C(N)=O)OC(=O)c2ccccc21 Amb28186425 [0,1,0,1,0,0|2,0,0]=4 2402 B15R2.147885 NC(=O)C1(O)OC(=O)c2ccccc21 Amb28722915 [0,1,0,1,0,0|2,0,0]=4 2403 B15R2.147885 O=C1OC(Cl)(C(=O)O)c2ccccc21 Amb27585633 [0,1,0,1,0,0|2,0,0]=4 2404 B15R2.550 O=C1CCCC(=O)c2ccccc2N1 Amb25743041 [0,1,0,1,0,0|2,0,0]=4 2405 B15R2.8448 CN1CC(=O)Nc2ccccc2C1=O Amb1979905 [0,1,0,1,0,0|2,0,0]=4 2406 B15R2.19309 COC(=O)C1=CC=CC2=NC(=O)N=C12 Amb27986217 [0,1,0,1,0,0|2,0,0]=4 2407 B15R2.19309 COC(=O)c1cccc2c1CC(=O)N2 Amb8396125 [0,1,0,1,0,0|2,0,0]=4 2408 B15R2.19309 COC(=O)c1cccc2c1NC(=O)C2 Amb6307767 [0,1,0,1,0,0|1,0,0]=3 2409 B15R2.19309 COC(=O)c1cccc2c1NC(=O)N2 Amb22492464 [0,1,0,1,0,0|2,0,0]=4 2410 B15R2.19309 COC(=O)c1cccc2c1NC(=O)O2 Amb24654818 [0,1,0,1,0,0|2,0,0]=4 2411 B15R2.19309 COC(=O)c1cccc2c1OC(C)C2 Amb23558898 [0,1,0,1,0,0|1,0,1]=4 2412 B15R2.19309 COC(=O)c1cccc2cc(C)oc12 Amb33230736 [0,1,0,1,0,0|1,0,0]=3 2413 B15R2.19309 COC(=O)c1cccc2nc(Br)oc12 Amb27755548 [0,1,0,1,0,0|2,0,0]=4 2414 B15R2.19309 COC(=O)c1cccc2nc(C)oc12 Amb16230879 [0,1,0,1,0,0|1,0,0]=3 2415 B15R2.19309 COC(=O)c1cccc2nc(C)sc12 Amb24096008 [0,1,0,1,0,0|1,1,0]=4 2416 B15R2.19309 COC(=O)c1cccc2nc(Cl)oc12 Amb24498455 [0,1,0,1,0,0|2,0,0]=4 2417 B15R2.19309 COC(=O)c1cccc2nc(F)oc12 Amb26005425 [0,1,0,1,0,0|2,0,0]=4 2418 B15R2.19309 COC(=O)c1cccc2nc(I)oc12 Amb25996870 [0,1,0,1,0,0|2,0,0]=4 2419 B15R2.19309 COC(=O)c1cccc2nc(N)oc12 Amb27411538 [0,1,0,1,0,0|2,0,0]=4 2420 B15R2.19309 COC(=O)c1cccc2nc(O)oc12 Amb24536826 [0,1,0,1,0,0|1,0,1]=4 2421 B15R2.19309 COC(=O)c1cccc2oc(C)cc12 Amb25695106 [0,1,0,1,0,0|1,0,1]=4 2422 B15R2.19309 COC(=O)c1cccc2oc(C)nc12 Amb22749855 [0,1,0,1,0,0|1,0,1]=4 2423 B15R2.19309 COC(=O)c1ccnc2c1NC(=O)C2 Amb27974584 [0,1,0,1,0,0|2,0,0]=4 2424 B15R2.19309 Cc1cc2cccc(C(=O)CO)c2s1 Amb27847276 [0,1,0,1,0,0|1,1,0]=4 2425 B15R2.19309 Cc1nc2cccc(C(=O)CBr)c2o1 Amb27968255 [0,1,0,1,0,0|2,0,0]=4 2426 B15R2.24965 CC(=O)N1C(=O)C(=O)c2ccccc21 Amb1631473 [0,1,0,1,0,0|1,0,1]=4 2427 B15R2.24965 CC(=O)N1c2ccccc2C(=O)C1C Amb2633776 [0,1,0,1,0,0|2,0,0]=4 2428 B15R2.24965 CC(=O)N1c2ccccc2C(=O)C1O Amb28203832 [0,1,0,1,0,0|1,0,0]=3 2429 B15R2.24965 CC(=O)n1c(C)c(O)c2ccccc21 Amb27438096 [0,1,0,1,0,0|2,0,0]=4 2430 B15R2.39201 CC(=O)N1C\C(=N\O)c2ccccc21 Amb27420946 [0,1,0,1,0,0|2,0,0]=4 2431 B15R2.39201 CC(=O)n1cc(C=O)c2ccccc21 Amb1981177 [0,1,0,1,0,0|2,0,0]=4 2432 B15R2.39201 CC(=O)n1cc(CO)c2ccccc21 Amb23513695 [0,1,0,1,0,0|2,0,0]=4 2433 B15R2.39201 COc1nn(C(C)=O)c2ccccc12 Amb27959094 [0,1,0,1,0,0|2,0,0]=4 2434 B15R2.49945 CC(=O)Nc1cccc2c1C(=O)C=C2 Amb28409029 [0,1,0,1,0,0|2,0,0]=4 2435 B15R2.49945 CC(=O)Nc1cccc2c1C(=O)OC2 Amb2642686 [0,1,0,1,0,0|1,0,0]=3 2436 B15R2.49945 O=C(O)Cc1cccc2c1C(=O)OC2 Amb27482405 [0,1,0,1,0,0|2,0,0]=4 2437 B15R2.2047 CC(=O)c1cccc2nc(C=O)oc12 Amb25973145 [0,1,0,1,0,0|2,0,0]=4 2438 B15R2.2047 CC(=O)c1cccc2nc(CBr)oc12 Amb27796362 [0,1,0,1,0,0|2,0,0]=4 2439 B15R2.2047 CC(=O)c1cccc2nc(CCl)oc12 Amb10975725 [0,1,0,1,0,0|2,0,0]=4 2440 B15R2.2047 CC(=O)c1cccc2nc(CN)oc12 Amb17570468 [0,1,0,1,0,0|2,0,0]=4 2441 B15R2.2047 CC(=O)c1cccc2nc(CO)oc12 Amb24656430 [0,1,0,1,0,0|2,0,0]=4 2442 B15R2.2047 CCc1nc2c(C(=O)O)cccc2o1 Amb17130931 [0,1,0,1,0,0|1,0,1]=4 2443 B15R2.2047 CCc1nc2cccc(C(=O)O)c2o1 Amb17130909 [0,1,0,1,0,0|1,0,0]=3 2444 B15R2.2047 CCc1nc2cccc(C(C)=O)c2o1 Amb6384269 [0,1,0,1,0,0|2,0,0]=4 2445 B15R2.2047 CCc1nc2cccc(C(N)=O)c2o1 Amb25224022 [0,1,0,1,0,0|2,0,0]=4 2446 B15R2.2047 CNc1nc2cccc(C(C)=O)c2o1 Amb17570469 [0,1,0,1,0,0|2,0,0]=4 2447 B15R2.2047 COc1nc2c(C(=O)O)cccc2o1 Amb27807345 [0,1,0,1,0,0|1,0,1]=4 2448 B15R2.2047 COc1nc2cccc(C(=O)Cl)c2o1 Amb26576267 [0,1,0,1,0,0|2,0,0]=4 2449 B15R2.2047 COc1nc2cccc(C(=O)O)c2o1 Amb25373456 [0,1,0,1,0,0|1,0,0]=3 2450 B15R2.2047 COc1nc2cccc(C(C)=O)c2o1 Amb24759227 [0,1,0,1,0,0|2,0,0]=4 2451 B15R2.2047 COc1nc2cccc(C(N)=O)c2o1 Amb24727419 [0,1,0,1,0,0|2,0,0]=4 2452 B15R2.2047 CSc1nc2c(C(=O)O)cccc2o1 Amb24444893 [0,1,0,1,0,0|1,0,1]=4 2453 B15R2.2047 CSc1nc2cccc(C(=O)Cl)c2o1 Amb25973122 [0,1,0,1,0,0|2,0,0]=4 2454 B15R2.2047 CSc1nc2cccc(C(C)=O)c2o1 Amb26988036 [0,1,0,1,0,0|2,0,0]=4 2455 B15R2.2047 CSc1nc2cccc(C(N)=O)c2o1 Amb27623404 [0,1,0,1,0,0|2,0,0]=4 2456 B15R2.2047 N#Cc1nc2cccc(C(=O)O)c2o1 Amb27636442 [0,1,0,1,0,0|1,0,1]=4 2457 B15R2.2047 NC(=O)c1cccc2nc(CBr)oc12 Amb28368747 [0,1,0,1,0,0|2,0,0]=4 2458 B15R2.2047 NC(=O)c1cccc2nc(CCl)oc12 Amb26593413 [0,1,0,1,0,0|2,0,0]=4 2459 B15R2.2047 NC(=O)c1cccc2nc(CO)oc12 Amb24727630 [0,1,0,1,0,0|2,0,0]=4 2460 B15R2.2047 NCc1nc2c(C(=O)O)cccc2o1 Amb18817810 [0,1,0,1,0,0|1,0,1]=4 2461 B15R2.2047 NCc1nc2cccc(C(=O)Cl)c2o1 Amb27790978 [0,1,0,1,0,0|2,0,0]=4 2462 B15R2.2047 NCc1nc2cccc(C(=O)O)c2o1 Amb18817811 [0,1,0,1,0,0|1,0,0]=3 2463 B15R2.2047 NCc1nc2cccc(C(N)=O)c2o1 Amb28075263 [0,1,0,1,0,0|2,0,0]=4 2464 B15R2.2047 O=C(Cl)c1cccc2nc(CBr)oc12 Amb25253206 [0,1,0,1,0,0|2,0,0]=4 2465 B15R2.2047 O=C(Cl)c1cccc2nc(CCl)oc12 Amb26653619 [0,1,0,1,0,0|2,0,0]=4 2466 B15R2.2047 O=C(Cl)c1cccc2nc(CO)oc12 Amb25223831 [0,1,0,1,0,0|2,0,0]=4 2467 B15R2.2047 O=C(O)c1cccc2nc(CBr)oc12 Amb27462531 [0,1,0,1,0,0|1,0,0]=3 2468 B15R2.2047 O=C(O)c1cccc2nc(CCl)oc12 Amb25042673 [0,1,0,1,0,0|1,0,0]=3 2469 B15R2.2047 O=C(O)c1cccc2nc(CO)oc12 Amb26966537 [0,1,0,1,0,0|1,0,0]=3 2470 B15R2.2047 O=C(O)c1cccc2oc(CBr)nc12 Amb26938915 [0,1,0,1,0,0|1,0,1]=4 2471 B15R2.2047 O=C(O)c1cccc2oc(CCl)nc12 Amb27962984 [0,1,0,1,0,0|1,0,1]=4 2472 B15R2.2047 O=C(O)c1cccc2oc(CO)nc12 Amb25165486 [0,1,0,1,0,0|1,0,1]=4 2473 B15R2.2047 O=C(O)c1cccc2sc(CF)cc12 Amb27186740 [0,1,0,1,0,0|1,1,0]=4 2474 B15R2.2047 O=CN1Cc2cccc(C(=O)O)c2C1 Amb29880246 [0,1,0,1,0,0|2,0,0]=4 2475 B15R2.2047 O=Cc1cc2c(C(=O)O)cccc2s1 Amb33483172 [0,1,0,1,0,0|2,0,0]=4 2476 B15R2.2047 O=Cc1cc2cccc(C(=O)O)c2o1 Amb33072986 [0,1,0,1,0,0|0,0,1]=3 2477 B15R2.2047 O=Cc1nc2c(C(=O)O)cccc2o1 Amb27193868 [0,1,0,1,0,0|2,0,0]=4 2478 B15R2.2047 O=Cc1nc2c(C(=O)O)cccc2s1 Amb32797301 [0,1,0,1,0,0|2,0,0]=4 2479 B15R2.2047 O=Cc1nc2cccc(C(=O)Cl)c2o1 Amb27615971 [0,1,0,1,0,0|2,0,0]=4 2480 B15R2.2047 O=Cc1nc2cccc(C(=O)O)c2o1 Amb27782486 [0,1,0,1,0,0|1,0,0]=3 2481 B15R2.2047 O=Cc1nc2cccc(C(=O)O)c2s1 Amb32797302 [0,1,0,1,0,0|1,1,0]=4 2482 B15R2.2292 O=C1NN=C(CCl)Oc2ccccc21 Amb10070595 [0,1,0,1,0,0|2,0,0]=4 2483 B15R2.7268 CC1CNc2cccc(C(=O)O)c2O1 Amb26383880 [0,1,0,1,0,0|1,0,1]=4 2484 B15R2.7268 Cc1cc2c(C(=O)O)cccc2cn1 Amb19103851 [0,1,0,1,0,0|2,0,0]=4 2485 B15R2.7268 Cc1ccc2cccc(C(=O)O)c2c1 Amb18649286 [0,1,0,1,0,0|2,0,0]=4 2486 B15R2.7268 Cc1ccc2cccc(C(=O)O)c2n1 Amb18649540 [0,1,0,1,0,0|2,0,0]=4 2487 B15R2.7268 Cc1cnc2cccc(C(=O)O)c2n1 Amb8009875 [0,1,0,1,0,0|2,0,0]=4 2488 B15R2.7268 NC(=O)c1cccc2c1NC(=O)CC2 Amb23400227 [0,1,0,1,0,0|2,0,0]=4 2489 B15R2.7268 O=C1CCc2cccc(C(=O)O)c2C1 Amb27168079 [0,1,0,1,0,0|1,0,0]=3 2490 B15R2.7268 O=C1CCc2cccc(C(=O)O)c2N1 Amb23399617 [0,1,0,1,0,0|1,0,0]=3 2491 B15R2.7268 O=C1CCc2cccc(C(=O)O)c2O1 Amb27983813 [0,1,0,1,0,0|0,0,0]=2 2492 B15R2.7268 O=C1COc2cccc(C(=O)O)c2N1 Amb18061749 [0,1,0,1,0,0|1,0,0]=3 2493 B15R2.13167 CC1NC(=O)c2ccccc2NC1=O Amb9752097 [0,1,0,1,0,0|2,0,0]=4 2494 B15R2.13167 CC1Oc2ccccc2C(=O)NC1=O Amb1765147 [0,1,0,1,0,0|1,0,1]=4 2495 B15R2.13167 CN1NC(=O)c2ccccc2NC1=O Amb27238600 [0,1,0,1,0,0|2,0,0]=4 2496 B15R2.13167 CN1OC(=O)c2ccccc2NC1=O Amb27166064 [0,1,0,1,0,0|1,0,0]=3 2497 B15R2.13167 C[C@@H]1NC(=O)c2ccccc2NC1=O Amb8630055 [0,1,0,1,0,0|2,0,0]=4 2498 B15R2.13167 C[C@H]1NC(=O)c2ccccc2NC1=O Amb27614239 [0,1,0,1,0,0|2,0,0]=4 2499 B15R2.13167 N[C@H]1CC(=O)c2ccccc2NC1=O Amb28370050 [0,1,0,1,0,0|2,0,0]=4 2500 B15R2.16320 O=C(O)c1ccccc1OC2CCC2 Amb18987377 [0,1,0,1,0,0|1,0,1]=4 2501 B15R2.23388 CC\C(C)=C1\OC(=O)c2ccccc21 Amb25254906 [0,1,0,1,0,0|2,0,0]=4 2502 B15R2.23388 CNC(=O)C1CC(=O)c2ccccc21 Amb17470705 [0,1,0,1,0,0|2,0,0]=4 2503 B15R2.23388 COC(=O)C1CC(=O)c2ccccc21 Amb17755304 [0,1,0,1,0,0|2,0,0]=4 2504 B15R2.23388 COC(=O)C1NC(=O)c2ccccc21 Amb26495102 [0,1,0,1,0,0|2,0,0]=4 2505 B15R2.23388 COC(=O)N1CC(=O)c2ccccc21 Amb27417365 [0,1,0,1,0,0|2,0,0]=4 2506 B15R2.23388 COC(=O)c1oc(O)c2ccccc12 Amb28398580 [0,1,0,1,0,0|1,0,1]=4 2507 B15R2.23388 O=C1OC(C(=O)CCl)c2ccccc21 Amb27588227 [0,1,0,1,0,0|1,0,0]=3 2508 B15R2.25888 CC1(C=O)CC(=O)c2ccccc2O1 Amb27804230 [0,1,0,1,0,0|1,0,1]=4 2509 B15R2.25888 CC1(C=O)Cc2ccccc2C(=O)O1 Amb32683581 [0,1,0,1,0,0|1,0,1]=4 2510 B15R2.45730 CC(=O)c1cccc2c1OC(=O)N2C Amb18547347 [0,1,0,1,0,0|1,0,0]=3 2511 B15R2.45730 CC1Oc2c(C(=O)O)cccc2C1C Amb1221737 [0,1,0,1,0,0|1,0,1]=4 2512 B15R2.45730 CN1C(=O)Nc2c(C(=O)O)cccc21 Amb28066624 [0,1,0,1,0,0|1,0,0]=3 2513 B15R2.45730 CN1C(=O)Oc2c(C(=O)O)cccc21 Amb28120289 [0,1,0,1,0,0|0,0,0]=2 2514 B15R2.45730 CN1Cc2c(C(=O)O)cccc2C1=O Amb28208603 [0,1,0,1,0,0|2,0,0]=4 2515 B15R2.45730 Cc1c(Br)sc2c(C(=O)O)cccc12 Amb27487426 [0,1,0,1,0,0|1,1,0]=4 2516 B15R2.45730 Cc1c(Cl)sc2c(C(=O)O)cccc12 Amb27215706 [0,1,0,1,0,0|1,1,0]=4 2517 B15R2.45730 Cc1c(N)sc2c(C(=O)O)cccc12 Amb27204529 [0,1,0,1,0,0|1,1,0]=4 2518 B15R2.45730 Cc1c(O)sc2c(C(=O)O)cccc12 Amb27881930 [0,1,0,1,0,0|0,1,1]=4 2519 B15R2.45730 Cc1oc2c(C(N)=O)cccc2c1C Amb27607210 [0,1,0,1,0,0|2,0,0]=4 2520 B15R2.45730 Cc1sc2c(C(=O)O)cccc2c1Br Amb27848745 [0,1,0,1,0,0|1,1,0]=4 2521 B15R2.45730 Cc1sc2c(C(=O)O)cccc2c1Cl Amb27446041 [0,1,0,1,0,0|1,1,0]=4 2522 B15R2.45730 Cc1sc2c(C(=O)O)cccc2c1N Amb28136581 [0,1,0,1,0,0|1,1,0]=4 2523 B15R2.45730 Cc1sc2c(C(=O)O)cccc2c1O Amb28195388 [0,1,0,1,0,0|0,1,1]=4 2524 B15R2.45730 NC1C(=O)Nc2c(C(=O)O)cccc21 Amb25665402 [0,1,0,1,0,0|1,0,0]=3 2525 B15R2.45730 O=C(O)c1cccc2c1CC(=O)N2O Amb27165687 [0,1,0,1,0,0|2,0,0]=4 2526 B15R2.45730 O=C(O)c1cccc2c1NC(=O)C2O Amb24761414 [0,1,0,1,0,0|1,0,0]=3 2527 B15R2.45730 O=C1Nc2c(C(=O)O)cccc2C1=O Amb2724701 [0,1,0,1,0,0|1,0,1]=4 2528 B15R2.7355 Cc1cccc2c1NC(=O)CCC2=O Amb32679351 [0,1,0,1,0,0|2,0,0]=4 2529 B15R2.7355 O=C1CNC(=O)c2cccc(Br)c2N1 Amb24655456 [0,1,0,1,0,0|2,0,0]=4 2530 B15R2.7355 O=C1CNC(=O)c2cccc(Cl)c2N1 Amb23401378 [0,1,0,1,0,0|2,0,0]=4 2531 B15R2.13615 CC1(C)OC(=O)c2cccc(O)c2O1 Amb24424975 [0,1,0,1,0,0|1,0,1]=4 2532 B15R2.13630 Cc1cccc2c1C(C(=O)O)OC2=O Amb18817909 [0,1,0,1,0,0|2,0,0]=4 2533 B15R2.13630 O=C1OC(C(=O)O)c2c(O)cccc21 Amb18815611 [0,1,0,1,0,0|2,0,0]=4 2534 B15R2.15373 Cc1cccc(C(=O)O)c1OC2CC2 Amb27265819 [0,1,0,1,0,0|1,0,1]=4 2535 B15R2.15373 O=C(O)c1cccc(F)c1OC2CC2 Amb28184286 [0,1,0,1,0,0|1,0,1]=4 2536 B15R2.69023 CC1(C)Cc2cccc(C(=O)O)c2O1 Amb2723413 [0,1,0,1,0,0|1,0,1]=4 2537 B15R2.7251 Cc1cc2c(C(=O)O)c(Br)ccc2s1 Amb27846515 [0,1,0,1,0,0|1,1,0]=4 2538 B15R2.7251 Cc1cc2c(C(=O)O)c(F)ccc2s1 Amb27799212 [0,1,0,1,0,0|1,1,0]=4 2539 B15R2.7251 Cc1cc2ccc(Br)c(C(=O)O)c2s1 Amb27962064 [0,1,0,1,0,0|1,1,0]=4 2540 B15R2.7251 Cc1cc2ccc(Cl)c(C(=O)O)c2s1 Amb27625413 [0,1,0,1,0,0|1,1,0]=4 2541 B15R2.7251 Cc1cc2ccc(S)c(C(=O)O)c2s1 Amb27881921 [0,1,0,1,0,0|1,1,0]=4 2542 B15R2.7251 Cc1nc2c(C(=O)O)c(O)ccc2s1 Amb27869862 [0,1,0,1,0,0|1,1,0]=4 2543 B15R2.7251 Cc1nc2ccc(C)c(C(=O)O)c2o1 Amb28044987 [0,1,0,1,0,0|1,0,0]=3 2544 B15R2.7251 O=C1Oc2ccc(O)c(C(=O)O)c2S1 Amb25957428 [0,1,0,1,0,0|1,1,0]=4 2545 B15R2.13631 Cc1cccc2c1C(=O)OC2C(=O)O Amb18817911 [0,1,0,1,0,0|2,0,0]=4 2546 B15R2.13631 O=C1OC(C(=O)O)c2cccc(F)c21 Amb18189105 [0,1,0,1,0,0|2,0,0]=4 2547 B15R2.13631 O=C1OC(C(=O)O)c2cccc(O)c21 Amb18815612 [0,1,0,1,0,0|2,0,0]=4 2548 B15R2.48037 Nc1cccc(OC2CC2)c1C(=O)O Amb27773830 [0,1,0,1,0,0|1,0,1]=4 2549 B15R2.48037 O=C(O)c1c(Cl)cccc1OC2CC2 Amb27642529 [0,1,0,1,0,0|1,0,1]=4 2550 B15R2.48037 O=C(O)c1c(I)cccc1OC2CC2 Amb27259375 [0,1,0,1,0,0|1,0,1]=4 2551 B15R2.61364 CC1(C)OC(=O)c2c(O)cccc2O1 Amb8388022 [0,1,0,1,0,0|1,0,1]=4 2552 B15R2.63789 Cc1cccc2c1C(=O)NCC(=O)N2 Amb28364384 [0,1,0,1,0,0|2,0,0]=4 2553 B15R2.63789 O=C1COC(=O)c2c(Cl)cccc2N1 Amb27815134 [0,1,0,1,0,0|1,0,0]=3 2554 B15R2.383 CC(=O)N1CC(=O)c2cc(Br)ccc21 Amb8504032 [0,1,0,1,0,0|2,0,0]=4 2555 B15R2.383 CC(=O)N1CC(=O)c2cc(Cl)ccc21 Amb25784728 [0,1,0,1,0,0|2,0,0]=4 2556 B15R2.383 CC(=O)N1CC(=O)c2cc(F)ccc21 Amb23590112 [0,1,0,1,0,0|2,0,0]=4 2557 B15R2.383 CC(=O)N1CC(=O)c2cc(N)ccc21 Amb18819598 [0,1,0,1,0,0|2,0,0]=4 2558 B15R2.383 CC(=O)n1cc(O)c2cc(Br)ccc21 Amb3941021 [0,1,0,1,0,0|2,0,0]=4 2559 B15R2.383 CC(=O)n1cc(O)c2cc(Cl)ccc21 Amb27495507 [0,1,0,1,0,0|2,0,0]=4 2560 B15R2.383 O=C1OC(C(=O)O)c2ccc(Cl)cc21 Amb18174970 [0,1,0,1,0,0|2,0,0]=4 2561 B15R2.383 O=C1OC(C(=O)O)c2ccc(F)cc21 Amb18813427 [0,1,0,1,0,0|2,0,0]=4 2562 B15R2.383 O=C1OC(C(=O)O)c2ccc(O)cc21 Amb18815609 [0,1,0,1,0,0|2,0,0]=4 2563 B15R2.7332 O=C1CCC(=O)c2cc(Br)ccc2N1 Amb23537349 [0,1,0,1,0,0|2,0,0]=4 2564 B15R2.7332 O=C1CCC(=O)c2cc(Cl)ccc2N1 Amb26850369 [0,1,0,1,0,0|2,0,0]=4 2565 B15R2.7332 O=C1CCC(=O)c2cc(F)ccc2N1 Amb27873328 [0,1,0,1,0,0|2,0,0]=4 2566 B15R2.7332 O=C1CNC(=O)c2cc(Br)ccc2N1 Amb2694962 [0,1,0,1,0,0|2,0,0]=4 2567 B15R2.7332 O=C1CNC(=O)c2cc(Cl)ccc2N1 Amb4012590 [0,1,0,1,0,0|2,0,0]=4 2568 B15R2.7332 O=C1CNC(=O)c2cc(F)ccc2N1 Amb10074507 [0,1,0,1,0,0|2,0,0]=4 2569 B15R2.62112 CC(=O)c1cc(Br)cc2c1OC(=O)N2 Amb18547462 [0,1,0,1,0,0|2,0,0]=4 2570 B15R2.62112 CC(=O)c1cc(Br)cc2nc(C)oc12 Amb17573660 [0,1,0,1,0,0|2,0,0]=4 2571 B15R2.62112 CC(=O)c1cc(Cl)cc2c1OC(=O)N2 Amb28408790 [0,1,0,1,0,0|2,0,0]=4 2572 B15R2.62112 CC(=O)c1cc(N)cc2c1OC(=O)N2 Amb18547357 [0,1,0,1,0,0|2,0,0]=4 2573 B15R2.62112 CC(=O)c1cc(N)cc2nc(C)oc12 Amb17570467 [0,1,0,1,0,0|2,0,0]=4 2574 B15R2.62112 CC1Cc2cc(Br)cc(C(=O)O)c2O1 Amb18692662 [0,1,0,1,0,0|1,0,1]=4 2575 B15R2.62112 CC1Cc2cc(Cl)cc(C(=O)O)c2O1 Amb18174726 [0,1,0,1,0,0|1,0,1]=4 2576 B15R2.62112 CC1Cc2cc(F)cc(C(=O)O)c2O1 Amb18813385 [0,1,0,1,0,0|1,0,1]=4 2577 B15R2.62112 CC1Cc2cc(N)cc(C(=O)O)c2O1 Amb23558911 [0,1,0,1,0,0|1,0,1]=4 2578 B15R2.62112 Cc1cc(C(=O)O)c2cc(C)sc2c1 Amb28287011 [0,1,0,1,0,0|1,1,0]=4 2579 B15R2.62112 Cc1cc(C(=O)O)c2sc(C)cc2c1 Amb27268737 [0,1,0,1,0,0|1,1,0]=4 2580 B15R2.62112 Cc1cc2c(C(=O)O)cc(I)cc2s1 Amb27205354 [0,1,0,1,0,0|1,1,0]=4 2581 B15R2.62112 Cc1cc2c(C(=O)O)cc(N)cc2s1 Amb28429268 [0,1,0,1,0,0|1,1,0]=4 2582 B15R2.62112 Cc1cc2c(c(C(=O)O)c1)NC(=O)C2 Amb17318505 [0,1,0,1,0,0|1,0,0]=3 2583 B15R2.62112 Cc1cc2c(c(C(=O)O)c1)NC(=O)N2 Amb28120122 [0,1,0,1,0,0|2,0,0]=4 2584 B15R2.62112 Cc1cc2c(c(C(=O)O)c1)OC(C)C2 Amb18817578 [0,1,0,1,0,0|1,0,1]=4 2585 B15R2.62112 Cc1cc2c(o1)C(C(=O)O)=CC(=O)N2 Amb18816804 [0,1,0,1,0,0|2,0,0]=4 2586 B15R2.62112 Cc1cc2cc(Br)cc(C(=O)O)c2s1 Amb27215751 [0,1,0,1,0,0|1,1,0]=4 2587 B15R2.62112 Cc1nc2c(C(=O)O)cc(N)cc2s1 Amb27791234 [0,1,0,1,0,0|1,1,0]=4 2588 B15R2.62112 Cc1nc2cc(F)cc(C(=O)O)c2s1 Amb27792410 [0,1,0,1,0,0|1,1,0]=4 2589 B15R2.62112 Nc1cc2c(c(C(=O)O)c1)NC(=O)N2 Amb26444643 [0,1,0,1,0,0|2,0,0]=4 2590 B15R2.62112 Nc1nc2cc(Cl)cc(C(=O)O)c2o1 Amb23527686 [0,1,0,1,0,0|2,0,0]=4 2591 B15R2.62112 Nc1nc2cc(F)cc(C(=O)O)c2o1 Amb28292644 [0,1,0,1,0,0|2,0,0]=4 2592 B15R2.62112 O=C1Cc2cc(Br)cc(C(=O)O)c2N1 Amb17318521 [0,1,0,1,0,0|1,0,0]=3 2593 B15R2.62112 O=C1Cc2cc(Cl)cc(C(=O)O)c2N1 Amb17318517 [0,1,0,1,0,0|1,0,0]=3 2594 B15R2.62112 O=C1Cc2cc(F)cc(C(=O)O)c2N1 Amb17318513 [0,1,0,1,0,0|1,0,0]=3 2595 B15R2.62112 O=C1Nc2cc(Cl)cc(C(=O)O)c2O1 Amb27827812 [0,1,0,1,0,0|1,0,0]=3 2596 B15R2.62112 O=C1Oc2c(cc(O)cc2C(=O)O)S1 Amb25842333 [0,1,0,1,0,0|1,0,0]=3 2597 B15R2.65880 O=C(O)c1cc(Cl)ccc1OC2CC2 Amb25908179 [0,1,0,1,0,0|1,0,1]=4 2598 B15R2.65880 O=C(O)c1cc(I)ccc1OC2CC2 Amb28123438 [0,1,0,1,0,0|1,0,1]=4 2599 B15R2.53146 CS(=O)(=O)N1OC(=O)c2ccccc21 Amb27410505 [0,1,0,1,0,0|2,0,0]=4 2600 B11R1.57 CC(=O)Cn1cccc1C=O Amb27666008 [1,0,0,0,1,0|2,0,0]=4 2601 B11R1.57 CC(=O)Nc1ccsc1C=O Amb18126609 [1,0,0,0,1,0|2,0,0]=4 2602 B11R1.57 CC(=O)Nc1cscc1C=O Amb27176527 [1,0,0,0,1,0|2,0,0]=4 2603 B11R1.57 CC(=O)Nc1sccc1C=O Amb27759780 [1,0,0,0,1,0|2,0,0]=4 2604 B11R1.193 CCOc1ccsc1C(=O)O Amb2724314 [1,0,0,0,1,0|1,0,1]=4 2605 B11R1.193 CCOc1cscc1C(=O)O Amb18126889 [1,0,0,0,1,0|1,0,1]=4 2606 B11R1.193 CCOc1sccc1C(=O)O Amb27477800 [1,0,0,0,1,0|1,0,1]=4 2607 B11R1.178 CC(=O)C1=CC=CC1C(C)=O Amb26484351 [0,0,0,0,2,0|1,0,1]=4 2608 B11R1.178 CC(=O)C1=CC=C\C1=C(/C)N Amb27259113 [0,0,0,0,2,0|2,0,0]=4 2609 B11R1.178 CC(=O)C1=CC=C\C1=C(/C)O Amb28074628 [0,0,0,0,2,0|1,0,0]=3 2610 B11R1.178 CC(=O)C1=CCC=C1C(C)=O Amb28253661 [0,0,0,0,2,0|1,0,1]=4 2611 B11R1.178 CC(=O)c1cccn1C(C)=O Amb26432950 [0,0,0,0,2,0|2,0,0]=4 2612 B11R1.178 CC(=O)c1ccsc1C(=O)O Amb2611547 [0,0,0,0,2,0|1,0,0]=3 2613 B11R1.178 CC(=O)c1cocc1C(C)=O Amb24415262 [0,0,0,0,2,0|2,0,0]=4 2614 B11R1.178 CC(=O)c1nocc1C(=O)O Amb18830932 [0,0,0,0,2,0|2,0,0]=4 2615 B11R1.178 CC(=O)c1occc1C(=O)O Amb18200885 [0,0,0,0,2,0|1,0,0]=3 2616 B11R1.178 CC(=O)c1oncc1C(=O)O Amb18830931 [0,0,0,0,2,0|2,0,0]=4 2617 B11R1.178 CC(=O)c1sccc1C(=O)O Amb18126671 [0,0,0,0,2,0|1,0,0]=3 2618 B11R1.178 CC(=O)c1scnc1C(=O)O Amb18687215 [0,0,0,0,2,0|2,0,0]=4 2619 B11R1.178 CS(=O)c1sccc1C(=O)O Amb8439417 [0,0,0,0,2,0|2,0,0]=4 2620 B11R1.178 NC(=O)c1cscc1C(=O)O Amb24742062 [0,0,0,0,2,0|2,0,0]=4 2621 B11R1.178 NC(=O)c1occc1C(=O)O Amb27266056 [0,0,0,0,2,0|2,0,0]=4 2622 B11R1.178 NC(=O)c1sccc1C(=O)O Amb27983716 [0,0,0,0,2,0|2,0,0]=4 2623 B11R1.178 O=C(O)c1ccoc1C(=O)O Amb5717808 [0,0,0,0,2,0|2,0,0]=4 2624 B11R1.178 O=C(O)c1ccsc1C(=O)O Amb2611505 [0,0,0,0,2,0|2,0,0]=4 2625 B11R1.178 O=C(O)c1cocc1C(=O)Cl Amb27858831 [0,0,0,0,2,0|2,0,0]=4 2626 B11R1.178 O=C(O)c1cocc1C(=O)O Amb4036468 [0,0,0,0,2,0|2,0,0]=4 2627 B11R1.178 O=C(O)c1cscc1C(=O)O Amb2447537 [0,0,0,0,2,0|2,0,0]=4 2628 B13R1.90 C=C(C)COc1ccccc1C=O Amb2721912 [1,0,0,0,0,1|1,0,0]=3 2629 B13R1.90 C=C(C)COc1ccccc1CO Amb6706240 [1,0,0,0,0,1|1,0,1]=4 2630 B13R1.90 C=Cc1ccccc1OCC(=O)O Amb17594532 [1,0,0,0,0,1|2,0,0]=4 2631 B13R1.90 CC(=O)CNc1ccccc1C=O Amb18127853 [1,0,0,0,0,1|1,0,0]=3 2632 B13R1.90 CC(=O)COc1ccccc1C#N Amb6360896 [1,0,0,0,0,1|1,0,1]=4 2633 B13R1.90 CC(=O)COc1ccccc1C=O Amb32426021 [1,0,0,0,0,1|0,0,0]=2 2634 B13R1.90 CC(=O)NCc1ccccc1CO Amb27588815 [1,0,0,0,0,1|1,0,1]=4 2635 B13R1.90 CC(=O)OCc1ccccc1C#N Amb22047886 [1,0,0,0,0,1|1,0,1]=4 2636 B13R1.90 CC(=O)\C=C\c1ccccc1CO Amb25179632 [1,0,0,0,0,1|1,0,1]=4 2637 B13R1.90 CC(C)COc1ccccc1C=O Amb6335920 [1,0,0,0,0,1|1,0,1]=4 2638 B13R1.90 CNc1ccccc1COC(C)=O Amb27415810 [1,0,0,0,0,1|2,0,0]=4 2639 B13R1.90 COc1ccccc1OCC(C)=O Amb3940654 [1,0,0,0,0,1|2,0,0]=4 2640 B13R1.90 NC(=O)COc1ccccc1C=O Amb6358179 [1,0,0,0,0,1|1,0,0]=3 2641 B13R1.90 O=Cc1ccccc1C#CC(=O)O Amb33076826 [1,0,0,0,0,1|2,0,0]=4 2642 B13R1.90 O=Cc1ccccc1CCC(=O)O Amb24090149 [1,0,0,0,0,1|2,0,0]=4 2643 B13R1.90 O=Cc1ccccc1OCC(=O)O Amb2721056 [1,0,0,0,0,1|1,0,0]=3 2644 B13R1.90 O=Cc1ccccc1\C=C\C(=O)O Amb8383888 [1,0,0,0,0,1|2,0,0]=4 2645 B13R1.587 CC(=O)Nc1cc(C(=O)O)ccn1 Amb2611288 [0,0,0,0,1,1|2,0,0]=4 2646 B13R1.587 CC(=O)Nc1cccc(C(=O)Cl)c1 Amb17143176 [0,0,0,0,1,1|2,0,0]=4 2647 B13R1.587 CC(=O)Nc1cccc(C(=O)O)c1 Amb1395993 [0,0,0,0,1,1|1,0,0]=3 2648 B13R1.587 CC(=O)Nc1cccc(C(=O)O)n1 Amb1235491 [0,0,0,0,1,1|1,0,0]=3 2649 B13R1.587 CC(=O)Nc1cccc(C(=O)[O-])c1 Amb33513148 [0,0,0,0,1,1|1,0,1]=4 2650 B13R1.587 CC(=O)Nc1cccc(C(C)=O)c1 Amb1214354 [0,0,0,0,1,1|2,0,0]=4 2651 B13R1.587 CC(=O)Nc1cccc(C(N)=O)c1 Amb8024622 [0,0,0,0,1,1|2,0,0]=4 2652 B13R1.587 CC(=O)Nc1ccnc(C(=O)O)c1 Amb18128563 [0,0,0,0,1,1|2,0,0]=4 2653 B13R1.587 CC(=O)Nc1cncc(C(=O)O)c1 Amb10072094 [0,0,0,0,1,1|2,0,0]=4 2654 B13R1.587 CC(=O)Oc1cccc(B(O)O)c1 Amb22035243 [0,0,0,0,1,1|1,0,1]=4 2655 B13R1.587 CC(=O)Oc1cccc(C(=O)Cl)c1 Amb5722373 [0,0,0,0,1,1|1,0,0]=3 2656 B13R1.587 CC(=O)Oc1cccc(C(=O)O)c1 Amb3940563 [0,0,0,0,1,1|0,0,0]=2 2657 B13R1.587 CC(=O)Oc1cccc(C(C)=O)c1 Amb4020058 [0,0,0,0,1,1|1,0,0]=3 2658 B13R1.587 CC(=O)Oc1cccc(C(N)=O)c1 Amb25061217 [0,0,0,0,1,1|1,0,0]=3 2659 B13R1.587 CC(=O)Oc1cccc([C@@H](C)O)c1 Amb27494916 [0,0,0,0,1,1|1,0,1]=4 2660 B13R1.587 CC(=O)Oc1cccc([C@H](C)O)c1 Amb27247443 [0,0,0,0,1,1|1,0,1]=4 2661 B13R1.587 CC(=O)Oc1cncc(C(=O)O)c1 Amb610926 [0,0,0,0,1,1|1,0,0]=3 2662 B13R1.587 CC(=O)Sc1cccc(C(=O)O)c1 Amb27865536 [0,0,0,0,1,1|0,1,0]=3 2663 B13R1.587 CC(=O)c1cccc(OC(=O)Cl)c1 Amb24613038 [0,0,0,0,1,1|2,0,0]=4 2664 B13R1.587 CC(C)Oc1cccc(C(=O)O)c1 Amb6315557 [0,0,0,0,1,1|1,0,1]=4 2665 B13R1.587 CC(C)Oc1cccc(C(=O)O)n1 Amb18987762 [0,0,0,0,1,1|1,0,1]=4 2666 B13R1.587 CS(=O)Cc1cccc(C(=O)O)c1 Amb459624 [0,0,0,0,1,1|2,0,0]=4 2667 B13R1.587 CS(=O)Nc1cccc(C(=O)O)n1 Amb28200800 [0,0,0,0,1,1|2,0,0]=4 2668 B13R1.587 NC(=O)Nc1cccc(C(=O)O)c1 Amb1215273 [0,0,0,0,1,1|2,0,0]=4 2669 B13R1.587 NC(=O)Nc1cccc(C(=O)O)n1 Amb27597770 [0,0,0,0,1,1|2,0,0]=4 2670 B13R1.587 NC(=O)Sc1cccc(C(=O)O)c1 Amb27848053 [0,0,0,0,1,1|1,1,0]=4 2671 B13R1.587 NC(=O)c1cccc(OC(=O)Cl)c1 Amb33297036 [0,0,0,0,1,1|2,0,0]=4 2672 B13R1.587 O=C(F)Oc1cccc(C(=O)O)c1 Amb28348883 [0,0,0,0,1,1|1,0,0]=3 2673 B13R1.587 O=C(O)Cc1cccc(C(=O)O)c1 Amb18128554 [0,0,0,0,1,1|2,0,0]=4 2674 B13R1.587 O=C(O)Cc1cccc(C(=O)O)n1 Amb25676132 [0,0,0,0,1,1|2,0,0]=4 2675 B15R1.5914 C=C(Br)CCc1ccccc1OC(C)=O Amb6299135 [0,0,0,0,0,2|2,0,0]=4 2676 B15R1.5914 C=C(C)CCc1ccccc1OC(C)=O Amb6299137 [0,0,0,0,0,2|2,0,0]=4 2677 B15R1.5914 C=C(Cl)CCc1ccccc1OC(C)=O Amb6299133 [0,0,0,0,0,2|2,0,0]=4 2678 B15R1.5914 CC(=O)COc1ccccc1NC(C)=O Amb3988279 [0,0,0,0,0,2|1,0,0]=3 2679 B15R1.5914 CC(=O)Cc1ccccc1OCC(=O)O Amb8505286 [0,0,0,0,0,2|1,0,0]=3 2680 B15R1.5914 CC(=O)Nc1ccccc1CCC(=O)O Amb2653397 [0,0,0,0,0,2|1,0,0]=3 2681 B15R1.5914 CC(=O)Nc1ccccc1OCC(=O)O Amb1130143 [0,0,0,0,0,2|1,0,0]=3 2682 B15R1.5914 CC(=O)Nc1ccccc1OCC(N)=O Amb1207351 [0,0,0,0,0,2|2,0,0]=4 2683 B15R1.5914 CC(=O)Nc1ccccc1SCC(=O)O Amb9702425 [0,0,0,0,0,2|1,0,0]=3 2684 B15R1.5914 CC(=O)Nc1ccccc1\C=C\C(=O)O Amb33949268 [0,0,0,0,0,2|1,0,0]=3 2685 B15R1.5914 CC(=O)Oc1ccccc1\C=C\C(=O)O Amb6296075 [0,0,0,0,0,2|0,0,0]=2 2686 B15R1.5914 CC(C)OCc1ccccc1CC(=O)O Amb33620747 [0,0,0,0,0,2|1,0,1]=4 2687 B15R1.5914 CC(C)Oc1ccccc1CCC(=O)O Amb17471322 [0,0,0,0,0,2|1,0,1]=4 2688 B15R1.5914 CC(C)Oc1ccccc1OCC(=O)O Amb32879407 [0,0,0,0,0,2|1,0,1]=4 2689 B15R1.5914 CC(C)Oc1ccccc1\C=C\C(=O)O Amb7799464 [0,0,0,0,0,2|1,0,1]=4 2690 B15R1.8882 C=C(C)CSCc1ccccc1C(=O)O Amb17498608 [0,0,0,0,0,2|1,1,0]=4 2691 B15R1.8882 CC(=O)c1ccccc1OCCC(=O)O Amb8496048 [0,0,0,0,0,2|2,0,0]=4 2692 B15R1.8882 CC(C)=CCSc1ccccc1C(=O)O Amb6665296 [0,0,0,0,0,2|1,1,0]=4 2693 B15R1.8882 CC(C)CCOc1ccccc1C(=O)O Amb1141182 [0,0,0,0,0,2|1,0,1]=4 2694 B15R1.8882 CN(C)CCOc1ccccc1C(=O)O Amb1114018 [0,0,0,0,0,2|2,0,0]=4 2695 B15R1.8882 CN(C)CCOc1ccccc1C(=O)O Amb33552834 [0,0,0,0,0,2|2,0,0]=4 2696 B15R1.8882 NC(=O)CSCc1ccccc1C(=O)O Amb17497161 [0,0,0,0,0,2|1,1,0]=4 2697 B15R1.8882 NC(=O)c1ccccc1OCCC(=O)O Amb6242451 [0,0,0,0,0,2|2,0,0]=4 2698 B15R1.8882 O=C(O)CCNc1ccccc1C(=O)O Amb537960 [0,0,0,0,0,2|2,0,0]=4 2699 B15R1.8882 O=C(O)CCOc1ccccc1C(=O)O Amb8496053 [0,0,0,0,0,2|1,0,0]=3 2700 B15R1.8882 O=C(O)CCSc1ccccc1C(=O)O Amb2731819 [0,0,0,0,0,2|1,1,0]=4