0 B7R0.16 C=C(Br)C(C)C(C)O Amb27978585 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.16 C=C(C(=O)O)C(=O)Cl Amb28056536 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.16 C=C(C(=O)O)[C@H](C)O Amb27410183 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.16 C=C(C(C)=O)C(C)=O Amb27424014 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.16 C=C(C(C)=O)C(N)=O Amb27814821 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.16 C=C(C(N)=O)C(N)=O Amb27874113 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.16 C=C(C)C(=C)C(=O)O Amb33199524 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.16 C=C(C)C(C)C(C)O Amb28045615 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.16 C=C(C)C(C)C(N)=O Amb26327976 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.16 C=C(C)C(Cl)C(C)=O Amb27633869 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.16 C=C(C)C(N)C(=C)O Amb27762325 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.16 C=C(C)C(O)C(N)=O Amb28123135 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.16 CC(=N)C(C)C(C)=O Amb28315572 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.16 CC(=O)C(=O)C(C)=O Amb17593178 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.16 CC(=O)C(C)=C(C)C Amb17593162 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.16 CC(=O)C(C)C(=S)S Amb27261425 [0,0,0,0,0,0|1,2,0]=3 26 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.16 CC(=O)C(C)C(C)O Amb17593202 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.16 CC(=O)C(C)[C@@H](C)O Amb28316228 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.16 CC(=O)C(Cl)C(C)=O Amb3940505 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.16 CC(=O)C(F)C(C)O Amb28437134 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.16 CC(=O)C(F)[N+](=O)[O-] Amb28254640 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.16 CC(=O)C(O)C(C)O Amb26597030 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.16 CC(=O)N(C)C(=O)Cl Amb33338974 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.16 CC(=O)N(C)C(C)=O Amb2720846 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.16 CC(=O)N(O)C(C)=O Amb22750106 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.16 CC(=O)[C@@H](C)[C@@H](C)Cl Amb28325873 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.16 CC(=O)[C@@H](C)[C@H](C)O Amb26966954 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.16 CC(=O)[C@@H](O)[C@@H](C)O Amb24481484 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.16 CC(=O)[C@@H](O)[C@H](C)O Amb28045145 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.16 CC(=O)[C@H](C)C(C)C Amb24753185 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.16 CC(=O)[C@H](C)[C@H](C)O Amb28249967 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.16 CC(=O)[C@H](O)[C@@H](C)O Amb24701454 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.16 CC(=O)\C(C)=C(/C)N Amb25232464 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.16 CC(=O)\C(C)=C(\C)Br Amb27265798 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.16 CC(=O)\C(C)=C(\C)N Amb28316241 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.16 CC(=O)\C(F)=C(/C)O Amb28384212 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [0,0,0,0,0,0|2,1,0]=3 53 B7R0.16 CC(Br)C(Br)C(=O)O Amb4008645 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.16 CC(C(=N)N)[N+](=O)[O-] Amb27849892 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,0,0,0,0,0|0,0,0]=0 56 B7R0.16 CC(C(=O)O)N(C)C Amb21955631 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.16 CC(C(=O)O)N(C)C Amb6653762 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.16 CC(C(=O)O)N(C)N Amb22372039 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.16 CC(C(=O)[O-])[C@H](C)O Amb27835918 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,0,0,0,0,0|1,0,0]=1 61 B7R0.16 CC(C(N)=O)C(N)=O Amb4034611 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.16 CC(C(N)=O)[N+](=O)[O-] Amb27622851 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.16 CC(C)=C(Br)C(=O)O Amb17594579 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.16 CC(C)=C(C)C(=O)O Amb17593186 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.16 CC(C)=C(Cl)C(=O)O Amb18642954 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.16 CC(C)=C(F)C(=O)O Amb20669103 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.16 CC(C)C(Br)C(=O)O Amb9703217 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.16 CC(C)C(C)C(=O)Cl Amb27645335 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.16 CC(C)C(C)C(=O)O Amb17087469 [0,0,0,0,0,0|2,0,1]=3 70 B7R0.16 CC(C)C(Cl)C(=O)O Amb6739911 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.16 CC(C)C(F)C(=O)O Amb19957386 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.16 CC(C)C(N)C(=O)O Amb5718386 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.16 CC(C)C(O)C(=O)O Amb2582547 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.16 CC(C)C(S)C(=O)O Amb18282761 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.16 CC(C)[C@@H](Br)C(=O)O Amb8629113 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.16 CC(C)[C@@H](C)C(=O)O Amb10844600 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.16 CC(C)[C@@H](C)C(N)=O Amb27838382 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.16 CC(C)[C@@H](N)C(=O)O Amb2720566 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.16 CC(C)[C@@H](O)C(=O)O Amb10071589 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.16 CC(C)[C@H](Br)C(=O)O Amb8629114 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.16 CC(C)[C@H](C)C(=O)O Amb10844601 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.16 CC(C)[C@H](C)C(N)=O Amb28345619 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.16 CC(C)[C@H](N)C(=O)O Amb2725465 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.16 CC(C)[C@H](O)C(=O)O Amb2694861 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.16 CC(Cl)C(C)C(=O)O Amb28325096 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.16 CC(Cl)C(Cl)C(=O)O Amb28396619 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.16 CC(F)C(N)C(=O)O Amb10838661 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.16 CC(F)C(N)C(=O)O Amb32752736 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.16 CC(F)[C@@H](N)C(=O)O Amb28316197 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.16 CC(N)C(C)C(=O)O Amb18124261 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.16 CC(N)C(C)C(=O)O Amb28934866 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.16 CC(N)C(C)C(N)=O Amb27172764 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.16 CC(N)C(F)C(=O)O Amb27411861 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.16 CC(N)C(O)C(=O)O Amb18641970 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.16 CC(N)C(O)C(=O)O Amb33299223 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.16 CC(O)C(=O)C(=O)O Amb24481396 [0,0,0,0,0,0|2,0,2]=4 100 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [0,0,0,0,0,0|2,0,1]=3 101 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [0,0,0,0,0,0|1,0,1]=2 102 B7R0.16 CC(O)C(C)C(C)O Amb2818287 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.16 CC(O)C(N)C(=O)Cl Amb27830226 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.16 CC(O)C(N)C(N)=O Amb4006836 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [0,0,0,0,0,0|2,0,1]=3 111 B7R0.16 CC(O)[C@H](N)C(N)=O Amb27643319 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [0,0,0,0,0,0|2,1,1]=4 113 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [0,0,0,0,0,0|2,1,1]=4 114 B7R0.16 CC([C@@H](C)O)[C@@H](C)O Amb27396018 [0,0,0,0,0,0|2,0,2]=4 115 B7R0.16 CC([C@H](C)O)[C@H](C)O Amb27659871 [0,0,0,0,0,0|2,0,2]=4 116 B7R0.16 CC([N+](=O)[O-])[N+](=O)[O-] Amb4035863 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.16 CN(C(=O)Cl)C(=O)Cl Amb28127675 [0,0,0,0,0,0|3,0,0]=3 118 B7R0.16 CN(C(N)=O)C(N)=O Amb27411152 [0,0,0,0,0,0|3,0,0]=3 119 B7R0.16 CN(C(N)=O)[N+](=O)[O-] Amb27645929 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.16 CN(C)C(O)C(=O)O Amb28399618 [0,0,0,0,0,0|4,0,0]=4 121 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb22587534 [0,0,0,0,0,0|3,0,0]=3 122 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb28934882 [0,0,0,0,0,0|3,0,0]=3 123 B7R0.16 C[C@@H](Cl)[C@@H](Cl)C(=O)O Amb28343001 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(=O)O Amb28283911 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb28286576 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb32668519 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.16 C[C@@H](N)[C@@H](C)C(=O)O Amb25679842 [0,0,0,0,0,0|2,0,1]=3 128 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.16 C[C@@H](O)[C@@H](C)S(C)=O Amb28249125 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [0,0,0,0,0,0|2,0,1]=3 133 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [0,0,0,0,0,0|2,0,1]=3 134 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [0,0,0,0,0,0|2,0,1]=3 135 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [0,0,0,0,0,0|2,0,1]=3 136 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [0,0,0,0,0,0|2,0,1]=3 137 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [0,0,0,0,0,0|2,0,1]=3 138 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [0,0,0,0,0,0|2,0,1]=3 139 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [0,0,0,0,0,0|2,1,1]=4 141 B7R0.16 C[C@H](C(=O)O)N(C)C Amb22586633 [0,0,0,0,0,0|3,0,0]=3 142 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [0,0,0,0,0,0|1,0,1]=2 143 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)O Amb27955873 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O Amb26887656 [0,0,0,0,0,0|2,0,1]=3 145 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O Amb27751951 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [0,0,0,0,0,0|2,0,1]=3 149 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [0,0,0,0,0,0|2,0,1]=3 150 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [0,0,0,0,0,0|2,0,1]=3 151 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [0,0,0,0,0,0|2,0,1]=3 152 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [0,0,0,0,0,0|2,0,1]=3 153 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [0,0,0,0,0,0|1,0,1]=2 154 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [0,0,0,0,0,0|2,0,1]=3 155 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [0,0,0,0,0,0|2,0,1]=3 156 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [0,0,0,0,0,0|2,0,1]=3 157 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [0,0,0,0,0,0|2,0,1]=3 158 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [0,0,0,0,0,0|3,0,0]=3 159 B7R0.16 C\C(Br)=C(/C)C(=O)O Amb2611697 [0,0,0,0,0,0|2,0,1]=3 160 B7R0.16 C\C(O)=C(/N)C(N)=O Amb28429800 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,0,0,0,0,0|2,0,1]=3 162 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [0,0,0,0,0,0|2,0,1]=3 163 B7R0.16 N=C(N)C(Br)C(N)=O Amb28245336 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.16 N=C(N)C(N)C(N)=O Amb27601378 [0,0,0,0,0,0|4,0,0]=4 165 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,0,0,0,0,0|3,0,0]=3 166 B7R0.16 NC(=O)C(F)C(N)=O Amb27948525 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.16 NC(=O)C(O)C(N)=O Amb27212957 [0,0,0,0,0,0|3,0,0]=3 169 B7R0.16 NC(=O)C([Na])C(N)=O Amb27838298 [0,0,0,0,0,0|3,0,0]=3 170 B7R0.16 NC(=O)N(O)C(N)=O Amb35748113 [0,0,0,0,0,0|4,0,0]=4 171 B7R0.16 NC(=O)N(O)C(N)=O Amb35753209 [0,0,0,0,0,0|4,0,0]=4 172 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,0,0,0,0,0|2,0,0]=2 173 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,0,0|1,0,0]=1 174 B7R0.16 NC(C(=O)O)C(F)F Amb24713127 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.16 NC(C(=O)O)C(F)F Amb32644474 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,0,0,0,0,0|2,0,0]=2 177 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [0,0,0,0,0,0|1,0,2]=3 178 B7R0.16 O=C(Cl)C(=O)C(=O)Cl Amb26634429 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.16 O=C(Cl)C(Cl)C(=O)Cl Amb27781570 [0,0,0,0,0,0|3,0,0]=3 180 B7R0.16 O=C(Cl)C(F)C(=O)Cl Amb32456101 [0,0,0,0,0,0|3,0,0]=3 181 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,0,0,0,0,0|1,0,1]=2 182 B7R0.16 O=C(O)C(Br)=C(Cl)Cl Amb27827769 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,0,0,0,0,0|1,0,0]=1 184 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl Amb2724138 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.16 O=C(O)C(F)=C(Cl)Cl Amb25732891 [0,0,0,0,0,0|3,0,1]=4 186 B7R0.16 O=C(O)C(F)=C(F)F Amb27409880 [0,0,0,0,0,0|3,0,1]=4 187 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,0,0,0,0,0|1,0,0]=1 188 B7R0.16 O=C(O)C(F)C(Cl)Cl Amb4015382 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.16 O=C(O)C(F)C(F)F Amb27481077 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,0,0,0,0,0|1,0,0]=1 191 B7R0.16 O=C(O)C(O)C(Cl)Cl Amb27212773 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.16 O=C(O)C(O)C(F)F Amb25074883 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,0,0,0,0,0|1,0,0]=1 194 B6R0.2 C=C(C)CC(=O)O Amb6278832 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.2 C=C(C)CC(C)=O Amb17593075 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.2 C=C(I)CC(=O)O Amb27598435 [1,0,0,0,0,0|2,0,0]=3 198 B6R0.2 CC(=O)CC(=O)F Amb28122452 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.2 CC(=O)CC(=O)O Amb377432 [1,0,0,0,0,0|1,0,0]=2 200 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [1,0,0,0,0,0|1,0,1]=3 201 B6R0.2 CC(=O)CC(C)=O Amb2716228 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.2 CC(=O)CC(C)=S Amb28381251 [1,0,0,0,0,0|2,1,0]=4 203 B6R0.2 CC(=O)CC(C)O Amb17593091 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.2 CC(=O)CC(N)=O Amb6608777 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.2 CC(=O)C[N+](=O)[O-] Amb18833135 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.2 CC(=O)NC(C)=O Amb4066511 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.2 CC(=O)NC(N)=O Amb6891959 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.2 CC(=O)OC(C)=O Amb2793035 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.2 CC(=O)OC(N)=O Amb28283882 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.2 CC(=O)SC(=O)Cl Amb32679653 [1,0,0,0,0,0|3,0,0]=4 212 B6R0.2 CC(=O)SC(C)=O Amb4025813 [1,0,0,0,0,0|3,0,0]=4 213 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.2 CC(=S)CC(=O)O Amb28067768 [1,0,0,0,0,0|1,1,0]=3 217 B6R0.2 CC(Br)CC(=O)O Amb8517108 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.2 CC(C)=CC(=O)O Amb1485519 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.2 CC(C)CC(=O)O Amb3939848 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.2 CC(I)CC(=O)O Amb28398380 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.2 CC(N)CC(=O)O Amb8379759 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.2 CC(O)CC(=O)O Amb8513187 [1,0,0,0,0,0|1,0,1]=3 224 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [1,0,0,0,0,0|1,0,2]=4 225 B6R0.2 CC(O)CC(N)=O Amb26394320 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.2 CC(S)CC(=O)O Amb33538201 [1,0,0,0,0,0|1,1,1]=4 227 B6R0.2 CN(C)CC(=O)O Amb3319051 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.2 CN(C)CC(=O)O Amb3940366 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.2 CN(N)CC(=O)O Amb23592296 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.2 CN(O)CC(=O)O Amb29838290 [1,0,0,0,0,0|2,0,0]=3 231 B6R0.2 CS(=O)CC(N)=O Amb24394100 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [1,0,0,0,0,0|1,0,2]=4 238 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.2 C[NH+](C)CC(=O)O Amb24113881 [1,0,0,0,0,0|3,0,0]=4 243 B6R0.2 C[NH+](C)CC(=O)O Amb4007789 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.2 N=C(N)CC(N)=O Amb1981332 [1,0,0,0,0,0|3,0,0]=4 251 B6R0.2 N=C(N)CC(N)=O Amb5719691 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.2 N=C([NH3+])CC(N)=O Amb2439350 [1,0,0,0,0,0|3,0,0]=4 253 B6R0.2 NC(=O)CC(=O)O Amb4034884 [1,0,0,0,0,0|1,0,0]=2 254 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [1,0,0,0,0,0|1,0,1]=3 255 B6R0.2 NC(=O)CC(N)=O Amb1971463 [1,0,0,0,0,0|2,0,0]=3 256 B6R0.2 NC(=O)CC(N)=S Amb1155422 [1,0,0,0,0,0|2,1,0]=4 257 B6R0.2 NC(=O)C[N+](=O)[O-] Amb1101925 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.2 NC(=O)NC(N)=O Amb6346179 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.2 NC(=S)CC(=O)O Amb17465742 [1,0,0,0,0,0|1,1,0]=3 260 B6R0.2 NC(N)=CC(=O)O Amb27618962 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.2 NC(S)CC(=O)O Amb27391244 [1,0,0,0,0,0|1,1,1]=4 262 B6R0.2 O=C(Cl)CC(=O)Cl Amb3940237 [1,0,0,0,0,0|2,0,0]=3 263 B6R0.2 O=C(O)C=C(Br)Br Amb24435008 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.2 O=C(O)C=C(Cl)Cl Amb33544334 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.2 O=C(O)C=C(F)F Amb24116995 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.2 O=C(O)CB(O)O Amb24053058 [1,0,0,0,0,0|1,0,1]=3 267 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [1,0,0,0,0,0|1,0,0]=2 268 B6R0.2 O=C(O)CC(=O)O Amb2689065 [1,0,0,0,0,0|0,0,0]=1 269 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.2 O=C(O)CC(F)F Amb22001551 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.2 O=C(O)CS(=O)O Amb27788997 [1,0,0,0,0,0|1,0,0]=2 272 B6R0.2 O=C(O)\C=C(\Cl)Br Amb27955839 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516686 [1,0,0,0,0,0|0,0,2]=3 274 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516816 [1,0,0,0,0,0|0,0,2]=3 275 B6R0.2 O=C([O-])C[N+](=O)[O-] Amb28990930 [1,0,0,0,0,0|1,0,2]=4 276 B6R0.3 C#CC(N)C(=O)O Amb28282694 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.3 C#CC(O)C(=O)O Amb22731622 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.3 C=C(Br)C(C)CO Amb27757394 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.3 C=C(C)C(C)C=O Amb18639176 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.3 C=C(C)C(C)CO Amb24539367 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.3 C=C(C)[C@@H](C)C=O Amb27838285 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.3 C=C(C)[C@H](C)CO Amb28350373 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.3 C=C(CO)C(=O)O Amb18121817 [1,0,0,0,0,0|0,0,3]=4 284 B6R0.3 C=C=C(C)C(=O)O Amb17593066 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.3 C=CC(=C)C(=O)O Amb24394371 [1,0,0,0,0,0|1,0,2]=4 286 B6R0.3 C=CC(C)C(=C)C Amb22228297 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.3 C=CC(C)C(=O)O Amb21618706 [1,0,0,0,0,0|1,0,0]=2 288 B6R0.3 C=CC(C)C(C)O Amb26948663 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.3 C=CC(C)C(N)=O Amb27167730 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.3 C=CC(Cl)C(=O)O Amb27216715 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.3 C=CC(N)C(=O)O Amb20240543 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.3 C=CC(O)C(=O)O Amb24061247 [1,0,0,0,0,0|2,0,0]=3 293 B6R0.3 C=CC(O)C(C)=O Amb27838239 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.3 C=CC(O)C(N)=O Amb27391902 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.3 C=CC(S)C(=O)O Amb28069741 [1,0,0,0,0,0|2,0,0]=3 296 B6R0.3 C=CN(C)C(C)=O Amb8513334 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.3 C=C[C@@H](C)C(=O)O Amb26350417 [1,0,0,0,0,0|1,0,0]=2 298 B6R0.3 C=C[C@@H](N)C(=O)O Amb22756048 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.3 C=C[C@H](C)C(=O)O Amb25929549 [1,0,0,0,0,0|1,0,0]=2 300 B6R0.3 C=C[C@H](C)[C@H](C)O Amb27651702 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.3 C=C[C@H](N)C(=O)O Amb2699113 [1,0,0,0,0,0|2,0,0]=3 302 B6R0.3 C=C[C@H](O)C(N)=O Amb28282656 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.3 CC(=O)C(Br)C=O Amb17232509 [1,0,0,0,0,0|2,0,0]=3 304 B6R0.3 CC(=O)C(C)C#N Amb8847377 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.3 CC(=O)C(C)C=N Amb28199842 [1,0,0,0,0,0|2,0,0]=3 306 B6R0.3 CC(=O)C(C)C=O Amb18639572 [1,0,0,0,0,0|1,0,0]=2 307 B6R0.3 CC(=O)C(C)CCl Amb26477594 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.3 CC(=O)C(C)CO Amb10844844 [1,0,0,0,0,0|1,0,1]=3 309 B6R0.3 CC(=O)C(Cl)C=O Amb28137911 [1,0,0,0,0,0|2,0,0]=3 310 B6R0.3 CC(=O)C(O)CO Amb26463044 [1,0,0,0,0,0|2,0,1]=4 311 B6R0.3 CC(=O)N(C)CO Amb28191296 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.3 CC(=O)N(C)N=O Amb25259815 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.3 CC(=O)[C@H](N)CO Amb27451047 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.3 CC(=O)\C(Br)=C\O Amb17232510 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.3 CC(=O)\C(C)=N/O Amb9787796 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.3 CC(=O)\C(C)=N\O Amb8389366 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.3 CC(=O)\C(Cl)=C\O Amb27854622 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.3 CC(C#N)C(=O)O Amb17210512 [1,0,0,0,0,0|1,0,1]=3 320 B6R0.3 CC(C)C(C)C=O Amb17593082 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.3 CC(C)[C@@H](C)C=O Amb27224855 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.3 CC(C)[C@H](C)C=O Amb27635299 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.3 CC(C=O)=C(Cl)Cl Amb27423413 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.3 CC(C=O)C(=O)O Amb27784775 [1,0,0,0,0,0|0,0,0]=1 325 B6R0.3 CC(C=O)C(=O)[Na] Amb27439065 [1,0,0,0,0,0|1,0,0]=2 326 B6R0.3 CC(C=O)C(F)F Amb25746789 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.3 CC(C=O)S(C)=O Amb29849577 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.3 CC(CBr)C(=O)O Amb22002601 [1,0,0,0,0,0|1,0,1]=3 329 B6R0.3 CC(CCl)C(=O)O Amb18522181 [1,0,0,0,0,0|1,0,1]=3 330 B6R0.3 CC(CF)C(=O)O Amb24432331 [1,0,0,0,0,0|1,0,1]=3 331 B6R0.3 CC(CN)C(=O)O Amb2699128 [1,0,0,0,0,0|1,0,1]=3 332 B6R0.3 CC(CN)C(=O)O Amb6773978 [1,0,0,0,0,0|1,0,1]=3 333 B6R0.3 CC(CN)C(=O)O Amb8631418 [1,0,0,0,0,0|1,0,1]=3 334 B6R0.3 CC(CO)C(=O)O Amb8011522 [1,0,0,0,0,0|0,0,1]=2 335 B6R0.3 CC(CO)C(N)=S Amb8869143 [1,0,0,0,0,0|1,1,1]=4 336 B6R0.3 CC(CO)[N+](=O)[O-] Amb17600148 [1,0,0,0,0,0|1,0,2]=4 337 B6R0.3 CC(N=O)C(N)=O Amb26600137 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.3 CC(NN)C(=O)O Amb18640367 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.3 CC(O)C(C)CO Amb4019853 [1,0,0,0,0,0|1,0,2]=4 340 B6R0.3 CC(O)C(C)NO Amb27772254 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.3 CC(O)C(Cl)C=O Amb28121057 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.3 CC(O)N(C)C=O Amb27191911 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.3 CC(ON)C(=O)O Amb33038242 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.3 CC(ON)C(N)=O Amb28318742 [1,0,0,0,0,0|3,0,0]=4 345 B6R0.3 CC(S)C(C)C=O Amb27838214 [1,0,0,0,0,0|1,1,1]=4 346 B6R0.3 CCC(Br)C(=O)O Amb5716858 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.3 CCC(C)C(=O)Cl Amb3939259 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.3 CCC(C)C(=O)O Amb9703224 [1,0,0,0,0,0|1,0,1]=3 349 B6R0.3 CCC(C)C(C)=O Amb4605996 [1,0,0,0,0,0|2,0,1]=4 350 B6R0.3 CCC(C)C(N)=O Amb33548100 [1,0,0,0,0,0|2,0,1]=4 351 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.3 CCC(F)C(=O)O Amb25716167 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.3 CCC(N)C(=O)O Amb9729506 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.3 CCC(O)C(=O)O Amb6609018 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.3 CCC(S)C(=O)O Amb17501370 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [1,0,0,0,0,0|1,0,1]=3 358 B6R0.3 CC[C@@H](C)C(C)=O Amb28283799 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.3 CC[C@H](C)C(=O)Cl Amb26463969 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [1,0,0,0,0,0|1,0,1]=3 366 B6R0.3 CC[C@H](C)C(N)=O Amb27440802 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.3 CN(N=O)C(N)=O Amb2694991 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.3 CNC(C)C(=O)O Amb19373699 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.3 CNC(C)C(=O)O Amb9271766 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.3 CNC(C)C(C)=O Amb24369529 [1,0,0,0,0,0|3,0,0]=4 376 B6R0.3 CNC(C)C(N)=O Amb33527202 [1,0,0,0,0,0|3,0,0]=4 377 B6R0.3 CNC(C)C(N)=O Amb7758120 [1,0,0,0,0,0|3,0,0]=4 378 B6R0.3 CNC(O)C(=O)O Amb27229907 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.3 CN[C@@H](C)C(=O)O Amb16233347 [1,0,0,0,0,0|2,0,0]=3 380 B6R0.3 CN[C@@H](C)C(=O)O Amb16233348 [1,0,0,0,0,0|2,0,0]=3 381 B6R0.3 CN[C@@H](C)C(N)=O Amb22587575 [1,0,0,0,0,0|3,0,0]=4 382 B6R0.3 CN[C@@H](C)C(N)=O Amb23385296 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.3 CN[C@H](C)C(=O)O Amb10844859 [1,0,0,0,0,0|2,0,0]=3 384 B6R0.3 CN[C@H](C)C(N)=O Amb22586632 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.3 CN[C@H](C)C(N)=O Amb23385292 [1,0,0,0,0,0|3,0,0]=4 386 B6R0.3 COC(Br)C(=O)O Amb27439128 [1,0,0,0,0,0|3,0,0]=4 387 B6R0.3 COC(C)C(=O)Cl Amb26005661 [1,0,0,0,0,0|3,0,0]=4 388 B6R0.3 COC(C)C(=O)O Amb9729215 [1,0,0,0,0,0|2,0,0]=3 389 B6R0.3 COC(C)C(C)=O Amb9666021 [1,0,0,0,0,0|3,0,0]=4 390 B6R0.3 COC(C)C(N)=O Amb6541307 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.3 COC(Cl)C(=O)O Amb28280799 [1,0,0,0,0,0|3,0,0]=4 392 B6R0.3 COC(F)C(=O)O Amb27764863 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.3 CO[C@@H](C)C(=O)Cl Amb26562182 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.3 CO[C@@H](C)C(=O)O Amb8515766 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.3 CO[C@@H](C)C(N)=O Amb8515768 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.3 CO[C@H](C)C(=O)Cl Amb27588755 [1,0,0,0,0,0|3,0,0]=4 397 B6R0.3 CO[C@H](C)C(=O)O Amb8515771 [1,0,0,0,0,0|2,0,0]=3 398 B6R0.3 CO[C@H](C)C(N)=O Amb17617080 [1,0,0,0,0,0|3,0,0]=4 399 B6R0.3 CSC(C)C(=O)O Amb6274567 [1,0,0,0,0,0|2,0,0]=3 400 B6R0.3 CSC(C)C(N)=O Amb28047863 [1,0,0,0,0,0|3,0,0]=4 401 B6R0.3 CSC(N)C(=O)O Amb28383509 [1,0,0,0,0,0|3,0,0]=4 402 B6R0.3 CS[C@H](C)C(=O)O Amb26611205 [1,0,0,0,0,0|2,0,0]=3 403 B6R0.3 C[C@@H](C=O)N(C)C Amb27268446 [1,0,0,0,0,0|3,0,0]=4 404 B6R0.3 C[C@@H](CF)C(=O)O Amb33743265 [1,0,0,0,0,0|1,0,1]=3 405 B6R0.3 C[C@@H](CI)C(=O)O Amb28322539 [1,0,0,0,0,0|1,0,1]=3 406 B6R0.3 C[C@@H](CN)C(=O)O Amb22756746 [1,0,0,0,0,0|1,0,1]=3 407 B6R0.3 C[C@@H](CN)C(=O)O Amb6600138 [1,0,0,0,0,0|1,0,1]=3 408 B6R0.3 C[C@@H](CO)C(=O)O Amb10844567 [1,0,0,0,0,0|0,0,1]=2 409 B6R0.3 C[C@@H](CO)C(N)=O Amb27254152 [1,0,0,0,0,0|1,0,1]=3 410 B6R0.3 C[C@@H](O)[C@H](N)C=O Amb27657440 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.3 C[C@@H](ON)C(=O)O Amb27169414 [1,0,0,0,0,0|2,0,0]=3 412 B6R0.3 C[C@@H](ON)C(=O)O Amb33620846 [1,0,0,0,0,0|2,0,0]=3 413 B6R0.3 C[C@H](CBr)C(=O)O Amb27975404 [1,0,0,0,0,0|1,0,1]=3 414 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.3 C[C@H](CF)C(=O)O Amb33727262 [1,0,0,0,0,0|1,0,1]=3 416 B6R0.3 C[C@H](CN)C(=O)O Amb10844022 [1,0,0,0,0,0|1,0,1]=3 417 B6R0.3 C[C@H](CN)C(=O)O Amb24117452 [1,0,0,0,0,0|1,0,1]=3 418 B6R0.3 C[C@H](CO)C(=O)O Amb10844554 [1,0,0,0,0,0|0,0,1]=2 419 B6R0.3 C[C@H](NBr)C(=O)O Amb28050211 [1,0,0,0,0,0|2,0,0]=3 420 B6R0.3 C[C@H](NN)C(=O)O Amb28247936 [1,0,0,0,0,0|2,0,0]=3 421 B6R0.3 C[C@H](O)[C@H](O)C=O Amb28434698 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.3 C[C@H](ON)C(=O)O Amb25853808 [1,0,0,0,0,0|2,0,0]=3 423 B6R0.3 C[C@H](ON)C(=O)O Amb33620847 [1,0,0,0,0,0|2,0,0]=3 424 B6R0.3 C\C(=C/Br)C(=O)O Amb4014496 [1,0,0,0,0,0|1,0,1]=3 425 B6R0.3 C\C(=C/Br)C(N)=O Amb27658807 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.3 C\C(=C/Cl)C(=O)Cl Amb27400291 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.3 C\C(=C/F)C(=O)O Amb27469080 [1,0,0,0,0,0|1,0,1]=3 428 B6R0.3 C\C(=C/I)C(=O)O Amb27838211 [1,0,0,0,0,0|1,0,1]=3 429 B6R0.3 C\C(=N/O)C(=O)O Amb28187271 [1,0,0,0,0,0|1,0,1]=3 430 B6R0.3 C\C(Br)=C(/C)C=O Amb18645749 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.3 C\C(Cl)=C(\C)C=O Amb27403540 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.3 C\C(O)=C(/C)C=O Amb27238606 [1,0,0,0,0,0|1,0,1]=3 433 B6R0.3 C\C(O)=C(\Br)C=O Amb27643424 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.3 C\C(O)=C(\C)C=O Amb27210577 [1,0,0,0,0,0|1,0,1]=3 435 B6R0.3 C\C(S)=C(/C)C=O Amb18641908 [1,0,0,0,0,0|1,1,1]=4 436 B6R0.3 C\C=C(/Br)C(=O)O Amb18646193 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.3 C\C=C(/C)C(=O)Cl Amb8395514 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.3 C\C=C(/C)C(=O)O Amb33723768 [1,0,0,0,0,0|1,0,1]=3 439 B6R0.3 C\C=C(/C)C(C)=O Amb2725616 [1,0,0,0,0,0|2,0,1]=4 440 B6R0.3 C\C=C(/F)C(=O)O Amb32663762 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.3 C\C=C(/O)C(=O)O Amb22727962 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.3 C\C=C(\Br)C(=O)O Amb4014486 [1,0,0,0,0,0|2,0,1]=4 443 B6R0.3 C\C=C(\C)C(=O)O Amb3445181 [1,0,0,0,0,0|1,0,1]=3 444 B6R0.3 C\C=C(\C)C(N)=O Amb28318688 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.3 C\C=C(\Cl)C(=O)O Amb28073985 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.3 C\C=C(\I)C(=O)O Amb27841305 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.3 N#CC(N)C(=O)O Amb25328320 [1,0,0,0,0,0|2,0,1]=4 448 B6R0.3 N#CC(O)C(=O)O Amb27467286 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.3 NC(=O)C(N)CO Amb17593097 [1,0,0,0,0,0|2,0,1]=4 450 B6R0.3 NC(=O)C(N)CO Amb2720301 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.3 NC(=O)C(O)CO Amb27169520 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.3 NC(=O)[C@@H](N)CO Amb6336612 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.3 NC(=O)[C@@H](N)CO Amb8387630 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.3 NC(=O)[C@@H](O)CO Amb27816733 [1,0,0,0,0,0|2,0,1]=4 455 B6R0.3 NC(=O)[C@H](N)CO Amb22886957 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.3 NC(=O)[C@H](N)CO Amb26505098 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.3 NC(CCl)C(=O)O Amb19651457 [1,0,0,0,0,0|2,0,1]=4 458 B6R0.3 NC(CCl)C(=O)O Amb21961077 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.3 NC(CF)C(=O)O Amb10839589 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.3 NC(CO)C(=O)O Amb9702805 [1,0,0,0,0,0|1,0,1]=3 461 B6R0.3 NC(CP)C(=O)O Amb27234251 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.3 NC(CS)C(=O)O Amb13961966 [1,0,0,0,0,0|1,1,1]=4 463 B6R0.3 NC(CS)C(=O)O Amb22489523 [1,0,0,0,0,0|1,1,1]=4 464 B6R0.3 NC(CS)C(=O)O Amb6537913 [1,0,0,0,0,0|1,1,1]=4 465 B6R0.3 NC(CS)C(=O)O Amb6537914 [1,0,0,0,0,0|1,1,1]=4 466 B6R0.3 NC(C[NH3+])C(=O)O Amb4004471 [1,0,0,0,0,0|2,0,1]=4 467 B6R0.3 NCC(Br)C(=O)O Amb28385732 [1,0,0,0,0,0|2,0,1]=4 468 B6R0.3 NCC(Cl)C(=O)O Amb17593263 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.3 NCC(F)C(=O)O Amb22733051 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.3 NCC(F)C(=O)O Amb2688010 [1,0,0,0,0,0|2,0,1]=4 471 B6R0.3 NCC(N)C(=O)O Amb22899095 [1,0,0,0,0,0|2,0,1]=4 472 B6R0.3 NCC(N)C(=O)O Amb2697095 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.3 NCC(N)C(=O)O Amb8514284 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.3 NCC(O)C(=O)O Amb8517492 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.3 NCC(S)C(=O)O Amb17593238 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.3 NC[C@@H](F)C(=O)O Amb25824168 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.3 NC[C@@H](F)C(=O)O Amb31291438 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.3 NC[C@@H](N)C(=O)O Amb22745957 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.3 NC[C@@H](N)C(=O)O Amb8515776 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.3 NC[C@H](F)C(=O)O Amb27254153 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.3 NC[C@H](F)C(=O)O Amb31291433 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.3 NC[C@H](N)C(=O)O Amb16183820 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.3 NC[C@H](N)C(=O)O Amb33842544 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.3 NC[C@H](N)C(=O)O Amb8515775 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.3 N[C@@H](C=S)C(=O)O Amb27838199 [1,0,0,0,0,0|1,1,0]=3 488 B6R0.3 N[C@@H](CBr)C(=O)O Amb27188433 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.3 N[C@@H](CCl)C(=O)O Amb22232860 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.3 N[C@@H](CCl)C(=O)O Amb8515277 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.3 N[C@@H](CO)C(=O)O Amb22351170 [1,0,0,0,0,0|1,0,1]=3 492 B6R0.3 N[C@@H](CO)C(=O)O Amb8387621 [1,0,0,0,0,0|1,0,1]=3 493 B6R0.3 N[C@@H](CS)C(=O)O Amb3940755 [1,0,0,0,0,0|1,1,1]=4 494 B6R0.3 N[C@@H](CS)C(=O)O Amb8385453 [1,0,0,0,0,0|1,1,1]=4 495 B6R0.3 N[C@@H](CS)C(=O)O Amb9826090 [1,0,0,0,0,0|1,1,1]=4 496 B6R0.3 N[C@@H](C[SeH])C(=O)O Amb31031035 [1,0,0,0,0,0|1,1,1]=4 497 B6R0.3 N[C@H](CCl)C(=O)O Amb2699111 [1,0,0,0,0,0|2,0,1]=4 498 B6R0.3 N[C@H](CCl)C(=O)O Amb9813688 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.3 N[C@H](CO)C(=O)Cl Amb28058341 [1,0,0,0,0,0|2,0,1]=4 500 B6R0.3 N[C@H](CO)C(=O)O Amb2690463 [1,0,0,0,0,0|1,0,1]=3 501 B6R0.3 N[C@H](CS)C(=O)O Amb17942912 [1,0,0,0,0,0|1,1,1]=4 502 B6R0.3 N[C@H](CS)C(=O)O Amb8394603 [1,0,0,0,0,0|1,1,1]=4 503 B6R0.3 N[C@H](CS)C(=O)O Amb8628479 [1,0,0,0,0,0|1,1,1]=4 504 B6R0.3 N\C(=N/O)C(=O)O Amb24670890 [1,0,0,0,0,0|2,0,1]=4 505 B6R0.3 O=C(O)C(=O)CO Amb6600025 [1,0,0,0,0,0|1,0,2]=4 506 B6R0.3 O=C(O)C(Br)CBr Amb8513574 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.3 O=C(O)C(Br)CF Amb10605519 [1,0,0,0,0,0|2,0,1]=4 508 B6R0.3 O=C(O)C(Br)CO Amb18126327 [1,0,0,0,0,0|1,0,1]=3 509 B6R0.3 O=C(O)C(Cl)CCl Amb22228245 [1,0,0,0,0,0|2,0,1]=4 510 B6R0.3 O=C(O)C(Cl)CO Amb18124304 [1,0,0,0,0,0|1,0,1]=3 511 B6R0.3 O=C(O)C(Cl)CS Amb18643661 [1,0,0,0,0,0|1,1,1]=4 512 B6R0.3 O=C(O)C(F)CO Amb17593117 [1,0,0,0,0,0|1,0,1]=3 513 B6R0.3 O=C(O)C(O)CBr Amb24061932 [1,0,0,0,0,0|2,0,1]=4 514 B6R0.3 O=C(O)C(O)CCl Amb6371692 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.3 O=C(O)C(O)CF Amb27476477 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.3 O=C(O)C(O)CO Amb17593103 [1,0,0,0,0,0|1,0,1]=3 517 B6R0.3 O=C(O)C(O)CS Amb18642053 [1,0,0,0,0,0|1,1,1]=4 518 B6R0.3 O=C(O)C(S)CS Amb18643295 [1,0,0,0,0,0|1,1,1]=4 519 B6R0.3 O=C(O)[C@@H](Br)CO Amb10601700 [1,0,0,0,0,0|1,0,1]=3 520 B6R0.3 O=C(O)[C@@H](Cl)CO Amb27968485 [1,0,0,0,0,0|1,0,1]=3 521 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [1,0,0,0,0,0|2,0,1]=4 524 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [1,0,0,0,0,0|1,0,1]=3 525 B6R0.3 O=C(O)[C@H](Cl)CO Amb27759746 [1,0,0,0,0,0|1,0,1]=3 526 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [1,0,0,0,0,0|1,0,1]=3 529 B6R0.3 O=C(O)\C(Br)=N\O Amb26949828 [1,0,0,0,0,0|2,0,1]=4 530 B6R0.3 O=C(O)\C(Cl)=C/Cl Amb17593560 [1,0,0,0,0,0|2,0,1]=4 531 B6R0.3 O=C(O)\C(Cl)=C/O Amb24479774 [1,0,0,0,0,0|1,0,1]=3 532 B6R0.3 O=C(O)\C(Cl)=C\Cl Amb32409784 [1,0,0,0,0,0|2,0,1]=4 533 B6R0.3 O=C(O)\C(Cl)=N\O Amb25839923 [1,0,0,0,0,0|2,0,1]=4 534 B6R0.3 O=C(O)\C(O)=C/O Amb27220871 [1,0,0,0,0,0|1,0,1]=3 535 B6R0.3 O=CC(Br)C(=O)O Amb27793774 [1,0,0,0,0,0|1,0,0]=2 536 B6R0.3 O=CC(F)C(=O)O Amb22055301 [1,0,0,0,0,0|1,0,0]=2 537 B6R0.3 O=C[C@@H](O)C(=O)O Amb27629391 [1,0,0,0,0,0|1,0,0]=2 538 B6R0.3 [C-]#[N+]C(C)C(=O)O Amb27974746 [1,0,0,0,0,0|2,0,0]=3 539 B8R0.2 C#C[C@@H](C)[C@H](C)C(=O)O Amb27257738 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.2 C=C(C)C(C)C(=O)CC Amb27838776 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.2 C=C(C)C(C)C(=O)CCl Amb28314266 [0,1,0,0,0,0|3,0,0]=4 542 B8R0.2 C=C(C)C(Cl)C(=O)OC Amb27955894 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.2 C=C(C)C(N)C(=O)OC Amb25888625 [0,1,0,0,0,0|3,0,0]=4 544 B8R0.2 C=C(C)[C@H](N)C(=O)OC Amb27883320 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.2 C=C(CO)[C@H](C)[C@H](C)O Amb28049166 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.2 C=C(O)C(O)C(=O)CC Amb28051028 [0,1,0,0,0,0|3,0,0]=4 547 B8R0.2 C=C(OC)C(C)C(C)=O Amb27838705 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.2 C=C=C(C)C(O)C(=O)O Amb28284623 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.2 C=CC(=C)C(N)C(=O)O Amb28323133 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.2 C=CC(N)C(C)C(=O)O Amb33036213 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.2 C=CC(O)C(C)C(=O)O Amb18642774 [0,1,0,0,0,0|1,0,1]=3 553 B8R0.2 C=CC(O)C(N)C(=O)O Amb18642830 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.2 C=CC(O)[C@H](N)C(=O)O Amb28429839 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.2 C=C[C@H](O)[C@@H](C)C(=O)O Amb28422977 [0,1,0,0,0,0|1,0,1]=3 556 B8R0.2 C=C[C@H](O)[C@@H](N)C(=O)O Amb27236340 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.2 C=C[C@H](O)[C@H](C)C(=O)O Amb28285106 [0,1,0,0,0,0|1,0,1]=3 558 B8R0.2 C=C\C(C)=C(/C)C(=O)O Amb28060126 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.2 C=C\C(C)=C(\C)C(=O)O Amb27947979 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.2 CC(=O)C(C)C(C)C=O Amb27643957 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.2 CC(=O)C(C)C(N)CO Amb27186035 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.2 CC(=O)C(C)N(C)C=O Amb28253854 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.2 CC(=O)C(C)N(C)N=O Amb27858970 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.2 CC(=O)C(C)\C(C)=N\O Amb27599356 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.2 CC(=O)C(F)C(=O)CF Amb27834300 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.2 CC(=O)[C@H](O)C(=O)CO Amb25756996 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.2 CC(C(=O)O)C(N)CN Amb24532823 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.2 CC(C(=O)O)N(C)C=O Amb18284942 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.2 CC(C(N)=O)\C(N)=N\O Amb27788976 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.2 CC(CN)C(C)C(=O)O Amb27217450 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [0,1,0,0,0,0|1,0,1]=3 572 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.2 CC(CS)C(C)C(=O)O Amb17593702 [0,1,0,0,0,0|1,1,1]=4 576 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [0,1,0,0,0,0|1,0,1]=3 577 B8R0.2 CC(O)C(C)C(=O)CO Amb27948718 [0,1,0,0,0,0|1,0,1]=3 578 B8R0.2 CC(O)C(O)C(=O)CO Amb27785801 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.2 CC(O)[C@H](O)C(=O)CO Amb27227013 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.2 CCC(=O)C(=O)C(=O)O Amb31097725 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.2 CCC(=O)C(C)C(C)=O Amb17666954 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.2 CCC(=O)C(C)C(C)=S Amb27267087 [0,1,0,0,0,0|2,1,0]=4 583 B8R0.2 CCC(=O)C(C)C(C)O Amb26509261 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.2 CCC(=O)[C@@H](C)[C@@H](C)O Amb27211930 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.2 CCC(=O)[C@@H](C)[C@H](C)O Amb27432902 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.2 CCC(=S)[C@H](N)C(=O)O Amb25111086 [0,1,0,0,0,0|2,1,0]=4 587 B8R0.2 CCC(C)C(C)C(=O)O Amb18290719 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.2 CCC(C)[C@@H](C)C(=O)O Amb10844494 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.2 CCC(C)[C@H](C)C(=O)O Amb10844495 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.2 CCC(O)C(C)C(=O)O Amb10844267 [0,1,0,0,0,0|1,0,1]=3 591 B8R0.2 CCC(O)C(C)C(C)=O Amb26336386 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.2 CCC(O)C(F)C(=O)O Amb33136388 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.2 CCC(O)C(N)C(=O)O Amb18203168 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.2 CCC(O)[C@H](N)C(=O)O Amb24364655 [0,1,0,0,0,0|2,0,1]=4 595 B8R0.2 CCN(C)C(C)C(=O)O Amb8890967 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.2 CCN(C)[C@@H](C)C(=O)O Amb27228167 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.2 CCN(N)C(C)C(=O)O Amb27655613 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Amb27879857 [0,1,0,0,0,0|1,0,1]=3 599 B8R0.2 CC[C@@H](O)[C@@H](C)C(C)=O Amb26600956 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.2 CC[C@H](C)C(C)C(=O)O Amb27950556 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.2 CC[C@H](N)[C@H](C)C(=O)O Amb27779460 [0,1,0,0,0,0|2,0,1]=4 602 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O Amb26981388 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.2 CC[C@H](O)[C@H](Br)C(=O)O Amb28285137 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.2 CC[C@H](O)[C@H](C)C(C)=O Amb27590145 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O Amb26024594 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.2 CC\C(C)=C(/C)C(=O)O Amb27424733 [0,1,0,0,0,0|2,0,1]=4 607 B8R0.2 CC\C(O)=C(\C)C(=O)O Amb27253362 [0,1,0,0,0,0|1,0,1]=3 608 B8R0.2 CNC(=O)C(C)C(=O)O Amb26367215 [0,1,0,0,0,0|1,0,0]=2 609 B8R0.2 CNC(=O)C(C)C(N)=S Amb27247255 [0,1,0,0,0,0|2,1,0]=4 610 B8R0.2 CNC(=O)C(Cl)C(C)=O Amb5717342 [0,1,0,0,0,0|3,0,0]=4 611 B8R0.2 CNC(=O)N(C)C(=O)Cl Amb27180192 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.2 CNC(=O)N(C)C(N)=O Amb28364983 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.2 COC(=O)C(=O)C(C)=O Amb17569865 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.2 COC(=O)C(=O)C(N)=O Amb27983893 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.2 COC(=O)C(=S)C(C)=O Amb27838708 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.2 COC(=O)C(Br)C(=O)Cl Amb27401113 [0,1,0,0,0,0|2,0,0]=3 617 B8R0.2 COC(=O)C(Br)C(C)=O Amb22499701 [0,1,0,0,0,0|2,0,0]=3 618 B8R0.2 COC(=O)C(C)C(=O)Cl Amb27636429 [0,1,0,0,0,0|1,0,0]=2 619 B8R0.2 COC(=O)C(C)C(=O)O Amb33545071 [0,1,0,0,0,0|0,0,0]=1 620 B8R0.2 COC(=O)C(C)C(C)=O Amb17939472 [0,1,0,0,0,0|1,0,0]=2 621 B8R0.2 COC(=O)C(C)C(C)C Amb4044380 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.2 COC(=O)C(C)C(C)N Amb18642841 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.2 COC(=O)C(C)C(C)O Amb22059109 [0,1,0,0,0,0|1,0,1]=3 624 B8R0.2 COC(=O)C(C)C(C)S Amb25682049 [0,1,0,0,0,0|1,1,1]=4 625 B8R0.2 COC(=O)C(C)C(N)=O Amb27202877 [0,1,0,0,0,0|1,0,0]=2 626 B8R0.2 COC(=O)C(C)C(N)=S Amb28428448 [0,1,0,0,0,0|1,1,0]=3 627 B8R0.2 COC(=O)C(C)N(C)C Amb8455327 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.2 COC(=O)C(C)N(C)O Amb27620113 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.2 COC(=O)C(C)S(=O)Cl Amb24725099 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.2 COC(=O)C(C)S(=O)O Amb27858607 [0,1,0,0,0,0|1,0,0]=2 631 B8R0.2 COC(=O)C(C)S(=O)[O-] Amb24626145 [0,1,0,0,0,0|1,0,1]=3 632 B8R0.2 COC(=O)C(C)S(N)=O Amb32720331 [0,1,0,0,0,0|2,0,0]=3 633 B8R0.2 COC(=O)C(C)[N+](=O)[O-] Amb25322922 [0,1,0,0,0,0|1,0,1]=3 634 B8R0.2 COC(=O)C(Cl)C(=O)Cl Amb24373872 [0,1,0,0,0,0|2,0,0]=3 635 B8R0.2 COC(=O)C(Cl)C(C)O Amb25269533 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.2 COC(=O)C(F)C(C)=O Amb25887225 [0,1,0,0,0,0|2,0,0]=3 637 B8R0.2 COC(=O)C(N)C(=O)O Amb27487566 [0,1,0,0,0,0|1,0,0]=2 638 B8R0.2 COC(=O)C(N)C(C)=O Amb21520335 [0,1,0,0,0,0|2,0,0]=3 639 B8R0.2 COC(=O)C(N)C(C)=O Amb22491080 [0,1,0,0,0,0|2,0,0]=3 640 B8R0.2 COC(=O)C(N)C(C)O Amb4005044 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.2 COC(=O)C(N)C(C)O Amb9204482 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.2 COC(=O)C(O)C(C)O Amb27410609 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.2 COC(=O)C([NH3+])C(C)O Amb33513068 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.2 COC(=O)N(C)C(N)=O Amb27393251 [0,1,0,0,0,0|2,0,0]=3 645 B8R0.2 COC(=O)[C@@H](Cl)[C@@H](C)O Amb27831417 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.2 COC(=O)[C@@H](Cl)[C@H](C)O Amb33741900 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O Amb10844890 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O Amb6296132 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O Amb27636193 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O Amb33483414 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.2 COC(=O)[C@H](Br)[C@@H](C)O Amb28121043 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.2 COC(=O)[C@H](Br)[C@H](C)O Amb27974271 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.2 COC(=O)[C@H](C)C(C)C Amb27226106 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.2 COC(=O)[C@H](C)[C@@H](C)Br Amb27607692 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N Amb28124532 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O Amb27783741 [0,1,0,0,0,0|1,0,1]=3 657 B8R0.2 COC(=O)[C@H](C)[C@H](C)N Amb27969940 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O Amb22744992 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O Amb25955119 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.2 COC(=O)[C@H](N)[C@H](C)O Amb27800278 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.2 COC(=O)[C@H](N)[C@H](C)O Amb8390421 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.2 COC(C)C(Br)C(=O)O Amb16233352 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.2 COC(C)C(C)C(=O)O Amb10844268 [0,1,0,0,0,0|1,0,1]=3 664 B8R0.2 COC(C)C(N)C(=O)O Amb17938689 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.2 COC(C)C(O)C(=O)O Amb27816478 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.2 COC(C)[C@@H](C)C(=O)O Amb33729616 [0,1,0,0,0,0|1,0,1]=3 667 B8R0.2 COC(C)[C@@H](N)C(=O)O Amb25733335 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.2 COC(C)[C@H](C)C(=O)O Amb25722336 [0,1,0,0,0,0|1,0,1]=3 669 B8R0.2 COC(C)[C@H](N)C(=O)O Amb25881538 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.2 CON(C)C(C)C(=O)O Amb27665034 [0,1,0,0,0,0|2,0,0]=3 671 B8R0.2 CON(C)C(C)C(N)=O Amb27837566 [0,1,0,0,0,0|3,0,0]=4 672 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O Amb26036938 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O Amb8390422 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.2 CO[C@H](C)[C@@H](Br)C(=O)O Amb27392325 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.2 CO[C@H](C)[C@@H](Cl)C(=O)O Amb27424722 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O Amb16183892 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.2 CO[C@H](C)[C@H](O)C(=O)O Amb25316180 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.2 CO\C(C)=C(/C)C(C)=O Amb25683972 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.2 CO\C(N)=C(/C)C(C)=O Amb27272676 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.2 C[C@@H](C(=O)O)N(C)C#N Amb35634499 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.2 C[C@@H](C(=O)O)N(C)N=O Amb27642233 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.2 C[C@@H](O)[C@@H](N)C(=O)NO Amb28049201 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.2 C[C@@H](O)[C@H](N)C(=O)NO Amb22800603 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.2 C[C@H](C(=O)O)[C@@H](O)CN Amb28056248 [0,1,0,0,0,0|1,0,1]=3 688 B8R0.2 C[C@H](O)[C@@H](C)C(=O)CO Amb28346866 [0,1,0,0,0,0|1,0,1]=3 689 B8R0.2 C\C(C=O)=C(/Cl)C(=O)O Amb27199263 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.2 C\C(C=O)=C(\Cl)C(=O)O Amb28130176 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.2 C\C=C(/C)C(C)C(=O)O Amb27810548 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.2 C\C=C(/C)C(N)C(=O)O Amb18642706 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.2 C\C=C(\Br)C(O)C(=O)O Amb27657537 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.2 C\C=C(\C)C(C)C(=O)O Amb27626047 [0,1,0,0,0,0|2,0,0]=3 695 B8R0.2 C\C=C(\C)C(N)C(=O)O Amb27634383 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.2 C\C=C(\C)[C@H](N)C(=O)O Amb28424373 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.2 NC(C(=O)O)C(O)CCl Amb27846402 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.2 NC(C(=O)O)C(O)CF Amb27592597 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [0,1,0,0,0,0|1,1,1]=4 701 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.2 NCC(O)C(N)C(=O)O Amb27876292 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.2 NCC(O)C(O)C(=O)O Amb27830532 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb27945588 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb33209939 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.2 NC[C@@H](O)[C@H](N)C(=O)O Amb30884414 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.2 N[C@@H](C(=O)O)C(O)CBr Amb28245344 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [0,1,0,0,0,0|1,1,1]=4 709 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [0,1,0,0,0,0|1,0,2]=4 710 B8R0.2 N[C@H](C(=O)O)C(O)CCl Amb27212707 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [0,1,0,0,0,0|1,0,2]=4 712 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [0,1,0,0,0,0|1,0,2]=4 713 B8R0.2 O=C(Cl)C(Cl)C(=O)CCl Amb24433455 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [0,1,0,0,0,0|1,0,2]=4 715 B8R0.2 O=C(O)C(O)\C(Cl)=C/Cl Amb28282747 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.2 O=C(O)C(O)\C(Cl)=C\Cl Amb27439350 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [0,1,0,0,0,0|1,0,2]=4 718 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [0,1,0,0,0,0|1,0,2]=4 719 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [0,1,0,0,0,0|1,0,2]=4 720 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [0,1,0,0,0,0|1,0,1]=3 722 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [0,1,0,0,0,0|1,0,1]=3 723 B8R0.2 O=C\C(Br)=C(/Br)C(=O)O Amb26008906 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.2 O=C\C(Br)=C(\Br)C(=O)O Amb2720702 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.2 O=C\C(Cl)=C(/Br)C(=O)O Amb4005286 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.2 O=C\C(Cl)=C(/Cl)C(=O)O Amb18602727 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.2 O=C\C(Cl)=C(/O)C(=O)O Amb28384527 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.2 O=C\C(Cl)=C(\Cl)C(=O)O Amb2720699 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.18 C#CC(C(=O)O)C(=O)O Amb27493331 [0,1,0,0,0,0|0,0,1]=2 730 B8R0.18 C=C(C)C(CC)C(=O)O Amb18642606 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.18 C=C(C)C(CN)C(=O)O Amb33199955 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.18 C=C(C)C(OC)C(=O)O Amb27219440 [0,1,0,0,0,0|2,0,0]=3 733 B8R0.18 C=CC(C(=O)O)C(=O)O Amb27655691 [0,1,0,0,0,0|0,0,1]=2 734 B8R0.18 C=CC(C(C)=O)C(C)=O Amb28132041 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.18 CC(=O)C(C#N)C(N)=O Amb25265556 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.18 CC(=O)C(C=O)C(C)=O Amb27234408 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.18 CC(=O)C(CN)C(C)=O Amb28411438 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.18 CC(C)=C(CN)C(=O)O Amb28368080 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.18 CC(C)C(CF)C(=O)O Amb26965957 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.18 CC(C)C(CN)C(=O)O Amb18987935 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.18 CC(C)C(CN)C(=O)O Amb19375052 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.18 CC(C)C(CO)C(=O)O Amb24116921 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.18 CC(C)C(CS)C(=O)O Amb17593703 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.18 CC(C)[C@@H](CN)C(=O)O Amb22756745 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.18 CC(C)[C@@H](CN)C(=O)O Amb22756747 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.18 CC(C)[C@H](CN)C(=O)O Amb25283442 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.18 CC(C)[C@H](CN)C(=O)O Amb32620230 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.18 CC(C)[C@H](CO)C(=O)O Amb27249807 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.18 CC(O)C(NN)C(=O)O Amb18642940 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.18 CC=C(C(=O)O)C(=O)O Amb27439270 [0,1,0,0,0,0|0,0,1]=2 751 B8R0.18 CCC(C(=O)Cl)C(=O)Cl Amb17942975 [0,1,0,0,0,0|2,0,0]=3 752 B8R0.18 CCC(C(=O)O)C(=O)O Amb6297197 [0,1,0,0,0,0|0,0,0]=1 753 B8R0.18 CCC(C(=O)O)C(C)C Amb18972345 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.18 CCC(C(=O)O)C(C)O Amb18990651 [0,1,0,0,0,0|1,0,1]=3 755 B8R0.18 CCC(C(=O)O)C(F)F Amb33337288 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.18 CCC(C(=O)O)N(C)C Amb33551144 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.18 CCC(C(=O)O)N(C)C Amb8455277 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.18 CCC(C(=O)O)N(C)N Amb25145584 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.18 CCC(C(=O)O)S(C)=O Amb18290930 [0,1,0,0,0,0|2,0,0]=3 760 B8R0.18 CCC(C(C)=O)C(C)=O Amb2371444 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.18 CCC(C(N)=O)C(=O)O Amb28410332 [0,1,0,0,0,0|1,0,0]=2 762 B8R0.18 CCC(C(N)=O)C(N)=O Amb25848912 [0,1,0,0,0,0|2,0,0]=3 763 B8R0.18 CC[C@@H](C(=O)O)N(C)C Amb25823446 [0,1,0,0,0,0|3,0,0]=4 764 B8R0.18 CC[C@@H](C(=O)O)N(O)O Amb16233002 [0,1,0,0,0,0|1,0,1]=3 765 B8R0.18 CC[C@@H](C(=O)O)[C@@H](C)O Amb28410568 [0,1,0,0,0,0|1,0,1]=3 766 B8R0.18 CC[C@@H](C(C)=O)[C@H](C)O Amb27164629 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.18 CC[C@H](C(=O)O)N(C)C Amb32668789 [0,1,0,0,0,0|3,0,0]=4 768 B8R0.18 CC[C@H](C(=O)O)[C@H](C)O Amb27655638 [0,1,0,0,0,0|1,0,1]=3 769 B8R0.18 CN(C)C(CN)C(=O)O Amb26350112 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.18 CN(C)C(CO)C(=O)O Amb24407402 [0,1,0,0,0,0|3,0,0]=4 771 B8R0.18 CN(C)[C@@H](CO)C(=O)O Amb27397686 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.18 CNC(C(=O)O)C(C)C Amb21961623 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.18 CNC(C(=O)O)C(C)C Amb4035989 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.18 CNC(C(=O)O)C(C)F Amb27596009 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.18 CNC(C(N)=O)C(C)O Amb30037144 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.18 CN[C@@H](C(=O)O)C(C)C Amb22231334 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.18 CN[C@@H](C(=O)O)C(C)C Amb22749002 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.18 CN[C@@H](C(=O)O)C(C)O Amb22800385 [0,1,0,0,0,0|1,0,1]=3 779 B8R0.18 CN[C@H](C(=O)O)C(C)C Amb16183861 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.18 CN[C@H](C(=O)O)C(C)C Amb33812559 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.18 CN[C@H](C(=O)O)C(C)O Amb27446656 [0,1,0,0,0,0|1,0,1]=3 782 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Amb25887203 [0,1,0,0,0,0|1,0,1]=3 783 B8R0.18 COC(C(=O)O)C(=O)O Amb27396318 [0,1,0,0,0,0|0,0,0]=1 784 B8R0.18 COC(C(=O)O)C(C)C Amb33532796 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.18 COC(C(=O)O)C(C)O Amb26003623 [0,1,0,0,0,0|1,0,1]=3 786 B8R0.18 COC(C(C)=O)C(C)=O Amb25913550 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.18 CON(C(C)=O)C(C)=O Amb22231327 [0,1,0,0,0,0|3,0,0]=4 788 B8R0.18 CO[C@H](C(=O)O)C(C)C Amb27966715 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.18 CSC(C(=O)O)C(=O)O Amb27407760 [0,1,0,0,0,0|0,0,0]=1 790 B8R0.18 CSC(C(=O)O)C(C)C Amb17503902 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.18 C\C(O)=C(\C#N)C(=O)O Amb27444896 [0,1,0,0,0,0|1,0,2]=4 792 B8R0.18 N#CC(C(N)=O)C(=O)O Amb28121468 [0,1,0,0,0,0|1,0,1]=3 793 B8R0.18 NC=C(C(=O)O)C(=O)O Amb27236633 [0,1,0,0,0,0|0,0,2]=3 794 B8R0.18 NCC(C(=O)O)C(=O)O Amb27408219 [0,1,0,0,0,0|0,0,0]=1 795 B8R0.18 NCC(C(=O)O)C(F)F Amb27438118 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.18 O=C(O)C(=CBr)C(=O)O Amb9825194 [0,1,0,0,0,0|0,0,2]=3 797 B8R0.18 O=C(O)C(CO)C(=O)O Amb27849072 [0,1,0,0,0,0|0,0,0]=1 798 B8R0.27 C=C(C(=O)O)S(=O)(=O)O Amb28343166 [0,1,0,0,0,0|1,0,2]=4 799 B8R0.27 CC(=O)C(C)S(=O)(=O)O Amb28253583 [0,1,0,0,0,0|2,0,0]=3 800 B8R0.27 CC(=O)C(C)S(C)(=O)=O Amb18181047 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.27 CC(=O)C(N)P(=O)(O)O Amb27835752 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.27 CC(C(=O)O)C(C)(C)C Amb4477144 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.27 CC(C(=O)O)C(C)(C)F Amb10843986 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.27 CC(C(=O)O)C(C)(C)N Amb24459511 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.27 CC(C(=O)O)C(C)(C)O Amb10844263 [0,1,0,0,0,0|1,0,1]=3 806 B8R0.27 CC(C(=O)O)C(C)(F)F Amb27626900 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.27 CC(C(=O)O)C(F)(F)F Amb19148979 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.27 CC(C(=O)O)P(=O)(O)O Amb9814224 [0,1,0,0,0,0|1,0,0]=2 809 B8R0.27 CC(C(=O)O)S(=O)(=O)Cl Amb18957684 [0,1,0,0,0,0|1,0,1]=3 810 B8R0.27 CC(C(=O)O)S(=O)(=O)O Amb25765487 [0,1,0,0,0,0|1,0,0]=2 811 B8R0.27 CC(C(=O)O)S(C)(=O)=O Amb6260939 [0,1,0,0,0,0|1,0,1]=3 812 B8R0.27 CC(C(=O)O)S(N)(=O)=O Amb18281052 [0,1,0,0,0,0|1,0,1]=3 813 B8R0.27 CC(C(=O)O)[Si](C)(C)C Amb27945584 [0,1,0,0,0,0|2,1,0]=4 814 B8R0.27 CC(C)(O)C(Br)C(=O)O Amb17595209 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.27 CC(C)(O)C(F)C(=O)O Amb32664861 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.27 CC(C)(O)C(N)C(=O)O Amb18642914 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.27 CC(C)(O)C(O)C(=O)O Amb25118477 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Amb8389457 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Amb27974877 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Amb33872154 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Amb8397144 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.27 CC(C)(O)[C@H](O)C(=O)O Amb27469612 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.27 CP(C)(=O)C(O)C(=O)O Amb22231894 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.27 C[C@@H](C(=O)O)C(C)(C)C Amb10844023 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.27 C[C@@H](C(=O)O)C(C)(C)Cl Amb28399702 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.27 C[C@@H](C(=O)O)C(C)(C)O Amb10844262 [0,1,0,0,0,0|1,0,1]=3 827 B8R0.27 C[C@@H](C(=O)O)C(C)(F)F Amb33728209 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.27 C[C@@H](C(=O)O)C(F)(F)F Amb24120617 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.27 C[C@@H](C(=O)O)S(C)(=O)=O Amb27776748 [0,1,0,0,0,0|1,0,1]=3 830 B8R0.27 C[C@H](C(=O)O)C(C)(C)C Amb10844034 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.27 C[C@H](C(=O)O)C(C)(F)F Amb33749542 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.27 C[C@H](C(=O)O)C(F)(F)F Amb26536055 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.27 C[C@H](C(=O)O)S(=O)(=O)O Amb28385771 [0,1,0,0,0,0|1,0,0]=2 834 B8R0.27 O=C(Cl)C(Cl)S(=O)(=O)O Amb28383563 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.27 O=C(O)C(O)P(=O)(O)O Amb24117287 [0,1,0,0,0,0|2,0,0]=3 836 B8R0.37 C=C(Br)C(C)(C)C(=O)O Amb17595054 [0,1,0,0,0,0|2,0,0]=3 837 B8R0.37 C=C(Br)C(C)(C)C(N)=O Amb28120051 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.37 C=C(C)C(C)(C)C(=O)O Amb15701602 [0,1,0,0,0,0|2,0,0]=3 839 B8R0.37 C=C(Cl)C(C)(C)C(=O)O Amb17613253 [0,1,0,0,0,0|2,0,0]=3 840 B8R0.37 C=C(Cl)C(C)(C)C(N)=O Amb27395591 [0,1,0,0,0,0|3,0,0]=4 841 B8R0.37 CC(=O)C(C)(C)C(=O)O Amb18642784 [0,1,0,0,0,0|1,0,0]=2 842 B8R0.37 CC(=O)C(C)(C)C(C)=O Amb17593343 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.37 CC(=O)C(C)(C)C(N)=O Amb28143775 [0,1,0,0,0,0|2,0,0]=3 844 B8R0.37 CC(=O)C(C)(C)S(=O)Cl Amb27212428 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.37 CC(=O)C(C)(C)[N+](=O)[O-] Amb25060217 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.37 CC(=O)C(C)(Cl)C(C)=O Amb27227021 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.37 CC(=O)C(C)(F)C(C)=O Amb27607073 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.37 CC(=O)C(C)(O)C(=O)Cl Amb27227227 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.37 CC(=O)C(C)(O)C(=O)O Amb18642870 [0,1,0,0,0,0|1,0,0]=2 850 B8R0.37 CC(=O)C(C)(O)C(C)O Amb28246397 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.37 CC(=O)C(Cl)(Cl)C(C)=O Amb25857557 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.37 CC(=O)C(Cl)(Cl)C(N)=O Amb27628572 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.37 CC(=O)C(F)(F)C(C)=O Amb8394329 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.37 CC(=O)[C@@](C)(O)[C@H](C)O Amb28321993 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.37 CC(Br)C(C)(Br)C(=O)O Amb2612513 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl Amb22347922 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.37 CC(C)(C(=O)Cl)S(=O)Cl Amb32720408 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.37 CC(C)(C(=O)Cl)S(N)=O Amb32720409 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.37 CC(C)(C(=O)O)C(=O)Cl Amb17593749 [0,1,0,0,0,0|1,0,0]=2 860 B8R0.37 CC(C)(C(=O)O)C(=O)O Amb2613653 [0,1,0,0,0,0|0,0,0]=1 861 B8R0.37 CC(C)(C(=O)O)C(Cl)Cl Amb27461230 [0,1,0,0,0,0|2,0,1]=4 862 B8R0.37 CC(C)(C(=O)O)C(F)F Amb28935029 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.37 CC(C)(C(=O)O)C(N)=S Amb17465757 [0,1,0,0,0,0|1,1,0]=3 864 B8R0.37 CC(C)(C(N)=O)C(=O)O Amb8386802 [0,1,0,0,0,0|1,0,0]=2 865 B8R0.37 CC(C)(C(N)=O)C(N)=O Amb24659379 [0,1,0,0,0,0|2,0,0]=3 866 B8R0.37 CC(C)C(C)(C)C(=O)O Amb17593377 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.37 CC(C)C(C)(N)C(=O)O Amb4134845 [0,1,0,0,0,0|2,0,1]=4 868 B8R0.37 CC(C)C(C)(O)C(=O)O Amb18286212 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Amb16183901 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.37 CC(C)[C@](C)(N)C(=O)O Amb10603127 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.37 CC(C)[C@](C)(O)C(=O)O Amb16231522 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.37 CC(Cl)C(C)(O)C(=O)O Amb27243989 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.37 CC(F)(C(=O)O)N(F)F Amb27398011 [0,1,0,0,0,0|3,0,0]=4 874 B8R0.37 CC(F)(C(N)=O)C(N)=O Amb27473389 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.37 CC(N)(C(=O)O)C(=O)O Amb28347069 [0,1,0,0,0,0|0,0,0]=1 876 B8R0.37 CC(N)(C(=O)O)C(F)F Amb26502497 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.37 CC(N)(C(=O)O)C(F)F Amb33328723 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.37 CC(N)(C(N)=O)C(=O)O Amb27593792 [0,1,0,0,0,0|1,0,0]=2 879 B8R0.37 CC(N)(C(N)=O)C(N)=O Amb28133691 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.37 CC(N)C(C)(C)C(=O)O Amb24681858 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.37 CC(O)(C(N)=O)C(N)=O Amb28255865 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.37 CC(O)C(C)(C)C(=O)O Amb18961474 [0,1,0,0,0,0|1,0,1]=3 883 B8R0.37 CC(O)C(C)(N)C(=O)O Amb2780038 [0,1,0,0,0,0|1,0,1]=3 884 B8R0.37 CC(O)C(C)(N)C(=O)O Amb30585196 [0,1,0,0,0,0|1,0,1]=3 885 B8R0.37 CC(O)C(C)(O)C(=O)O Amb18124401 [0,1,0,0,0,0|1,0,1]=3 886 B8R0.37 CC(O)C(F)(F)C(=O)O Amb30623506 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.37 CN(C)C(C)(C)C(=O)O Amb33550826 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.37 CN(C)C(C)(C)C(=O)O Amb3976483 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.37 CN(Cl)C(C)(C)C(=O)O Amb28137981 [0,1,0,0,0,0|3,0,0]=4 890 B8R0.37 C[C@@H](F)[C@@](C)(N)C(=O)O Amb26917123 [0,1,0,0,0,0|2,0,1]=4 891 B8R0.37 C[C@@H](O)[C@@](C)(N)C(=O)O Amb26458741 [0,1,0,0,0,0|1,0,1]=3 892 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O Amb27776914 [0,1,0,0,0,0|1,0,1]=3 893 B8R0.37 C[C@@](N)(C(=O)O)C(F)F Amb25107781 [0,1,0,0,0,0|2,0,1]=4 894 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O Amb22232016 [0,1,0,0,0,0|1,0,1]=3 895 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O Amb26390846 [0,1,0,0,0,0|1,0,1]=3 896 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O Amb27974163 [0,1,0,0,0,0|1,0,1]=3 897 B8R0.37 NC(=O)C(Br)(Br)C(N)=O Amb4005117 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.37 NC(=O)C(F)(F)C(=O)O Amb24385040 [0,1,0,0,0,0|2,0,0]=3 899 B8R0.37 NC(=O)C(F)(F)C(=O)O Amb33496126 [0,1,0,0,0,0|2,0,0]=3 900 B8R0.37 NC(=O)C(F)(F)C(=O)[O-] Amb33535531 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.37 NC(=O)C(F)(F)C(N)=O Amb10839344 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.37 O=C(O)C(Cl)(Cl)C(=O)O Amb17594338 [0,1,0,0,0,0|1,0,0]=2 903 B8R0.37 O=C(O)C(F)(F)C(=O)O Amb24088375 [0,1,0,0,0,0|1,0,0]=2 904 B8R0.37 O=C(O)C(F)(F)[N+](=O)[O-] Amb28051200 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.37 O=C(O)C(O)(Br)C(=O)O Amb27634888 [0,1,0,0,0,0|1,0,0]=2 906 B8R0.37 O=C(O)C(O)(O)C(=O)O Amb22002022 [0,1,0,0,0,0|1,0,0]=2 907 B8R1.29 CC1C(=O)CS1(=O)=O Amb27948622 [0,0,0,1,0,0|2,0,1]=4 908 B8R1.30 C=C1CC1(C)C(C)=O Amb25913489 [0,0,0,1,0,0|3,0,0]=4 909 B8R1.30 C=C1CC1(N)C(=O)O Amb22274582 [0,0,0,1,0,0|3,0,0]=4 910 B8R1.30 CC1(C(=O)O)CC1Br Amb25889224 [0,0,0,1,0,0|2,0,1]=4 911 B8R1.30 CC1(C(=O)O)CC1Cl Amb28325885 [0,0,0,1,0,0|2,0,1]=4 912 B8R1.30 CC1(C(=O)O)CC1F Amb24445672 [0,0,0,1,0,0|2,0,1]=4 913 B8R1.30 CC1CC1(C)C(=O)O Amb28456906 [0,0,0,1,0,0|2,0,1]=4 914 B8R1.30 C[C@@H]1C[C@@]1(C)C(=O)O Amb24680945 [0,0,0,1,0,0|2,0,1]=4 915 B8R1.30 C[C@@H]1O[C@]1(C)C(=O)O Amb28057500 [0,0,0,1,0,0|1,0,1]=3 916 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1Cl Amb28134278 [0,0,0,1,0,0|2,0,1]=4 917 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1F Amb24053139 [0,0,0,1,0,0|2,0,1]=4 918 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Br Amb27222642 [0,0,0,1,0,0|2,0,1]=4 919 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Cl Amb28196682 [0,0,0,1,0,0|2,0,1]=4 920 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1F Amb26656665 [0,0,0,1,0,0|2,0,1]=4 921 B8R1.30 C[C@H]1C[C@@]1(C)C(=O)O Amb27789627 [0,0,0,1,0,0|2,0,1]=4 922 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F Amb26987734 [0,0,0,1,0,0|2,0,1]=4 923 B8R1.30 C[C@]1(C(=O)O)C[C@H]1F Amb26870422 [0,0,0,1,0,0|2,0,1]=4 924 B8R1.31 C=C(C)C1CCC1=O Amb28383142 [0,0,0,1,0,0|3,0,0]=4 925 B8R1.31 C=C1CCC1C(=O)O Amb28281144 [0,0,0,1,0,0|2,0,0]=3 926 B8R1.31 CC(=O)C1CCC1=O Amb26910118 [0,0,0,1,0,0|2,0,0]=3 927 B8R1.31 CC(=O)C1CCC1O Amb33213172 [0,0,0,1,0,0|2,0,1]=4 928 B8R1.31 CC(O)C1CNC1=O Amb27872309 [0,0,0,1,0,0|2,0,1]=4 929 B8R1.31 CC1CCC1C(=O)O Amb21857447 [0,0,0,1,0,0|2,0,1]=4 930 B8R1.31 CC1NCC1C(=O)O Amb26984410 [0,0,0,1,0,0|2,0,1]=4 931 B8R1.31 CN1CCC1C(=O)O Amb22011586 [0,0,0,1,0,0|3,0,0]=4 932 B8R1.31 CN1CC[C@@H]1C(=O)O Amb24183372 [0,0,0,1,0,0|3,0,0]=4 933 B8R1.31 CN1CC[C@H]1C(=O)O Amb24699921 [0,0,0,1,0,0|3,0,0]=4 934 B8R1.31 C[C@@H]1CC[C@@H]1C(=O)O Amb28203929 [0,0,0,1,0,0|2,0,1]=4 935 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O Amb34913092 [0,0,0,1,0,0|2,0,1]=4 936 B8R1.31 NC(=O)C1NOC1=O Amb27202973 [0,0,0,1,0,0|2,0,0]=3 937 B8R1.31 NC1CCC1C(=O)O Amb26979562 [0,0,0,1,0,0|2,0,1]=4 938 B8R1.31 NN1CC[C@H]1C(=O)O Amb27261518 [0,0,0,1,0,0|3,0,0]=4 939 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24117048 [0,0,0,1,0,0|2,0,1]=4 940 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24183584 [0,0,0,1,0,0|2,0,1]=4 941 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb25976891 [0,0,0,1,0,0|2,0,1]=4 942 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb31291972 [0,0,0,1,0,0|2,0,1]=4 943 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb27187220 [0,0,0,1,0,0|2,0,1]=4 944 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb33805288 [0,0,0,1,0,0|2,0,1]=4 945 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb25911896 [0,0,0,1,0,0|2,0,1]=4 946 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb33801366 [0,0,0,1,0,0|2,0,1]=4 947 B8R1.31 O=C(O)C1=C(Br)CC1 Amb28454412 [0,0,0,1,0,0|2,0,1]=4 948 B8R1.31 O=C(O)C1=C(Cl)CC1 Amb33609521 [0,0,0,1,0,0|2,0,1]=4 949 B8R1.31 O=C(O)C1C=CC1O Amb27475863 [0,0,0,1,0,0|1,0,2]=4 950 B8R1.31 O=C(O)C1CCC1Cl Amb27490061 [0,0,0,1,0,0|2,0,1]=4 951 B8R1.31 O=C(O)C1CCC1F Amb27835547 [0,0,0,1,0,0|2,0,1]=4 952 B8R1.31 O=C(O)C1CCC1O Amb24481384 [0,0,0,1,0,0|1,0,1]=3 953 B8R1.31 O=C(O)C1CNC1=O Amb24524290 [0,0,0,1,0,0|1,0,0]=2 954 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O Amb27619188 [0,0,0,1,0,0|1,0,1]=3 955 B8R1.31 O=C(O)[C@@H]1CNC1=O Amb26452604 [0,0,0,1,0,0|1,0,0]=2 956 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O Amb34913090 [0,0,0,1,0,0|1,0,1]=3 957 B8R1.31 O=C(O)[C@H]1CNC1=O Amb34146450 [0,0,0,1,0,0|1,0,0]=2 958 B8R1.31 [C@@H]1([C@@H](C)O)CNC1=O Amb17843592 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.50 CC1=C(Br)COC1=O Amb27854509 [0,0,0,1,0,0|2,0,1]=4 960 B8R1.50 CC1=C(N)OCC1=O Amb27839546 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.50 CC1=C(O)COC1=O Amb2611869 [0,0,0,1,0,0|1,0,1]=3 962 B8R1.50 CC1=NNC(=O)C1C Amb3429410 [0,0,0,1,0,0|3,0,0]=4 963 B8R1.50 CC1=NOC(=O)C1C Amb19958218 [0,0,0,1,0,0|2,0,0]=3 964 B8R1.50 CC1C(=O)CCC1=O Amb974862 [0,0,0,1,0,0|2,0,0]=3 965 B8R1.50 CC1C(=O)COC1=O Amb4035239 [0,0,0,1,0,0|1,0,0]=2 966 B8R1.50 CC1C(=O)NCS1=O Amb27630693 [0,0,0,1,0,0|3,0,0]=4 967 B8R1.50 CC1C(=O)NN=C1N Amb17593175 [0,0,0,1,0,0|3,0,0]=4 968 B8R1.50 CC1C(=O)OC[C@@H]1O Amb27208229 [0,0,0,1,0,0|1,0,1]=3 969 B8R1.50 CC1C(=O)OC[C@H]1O Amb27484790 [0,0,0,1,0,0|1,0,1]=3 970 B8R1.50 CC1OCC(=O)C1C Amb29866230 [0,0,0,1,0,0|2,0,1]=4 971 B8R1.50 CN1C(=O)C=CC1=O Amb1158022 [0,0,0,1,0,0|3,0,0]=4 972 B8R1.50 CN1C(=O)CCC1=O Amb6368854 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.50 CN1C(=O)CNC1=O Amb22002559 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.50 CN1C(=O)COC1=O Amb21927685 [0,0,0,1,0,0|2,0,0]=3 975 B8R1.50 CN1C(=O)CSC1=O Amb1883006 [0,0,0,1,0,0|2,1,0]=4 976 B8R1.50 CN1C(=O)NNC1=O Amb22347867 [0,0,0,1,0,0|3,0,0]=4 977 B8R1.50 C[C@@H]1C(=O)C=C[C@H]1O Amb27785473 [0,0,0,1,0,0|2,0,1]=4 978 B8R1.50 C[C@@H]1C(=O)CC[C@@H]1O Amb28253966 [0,0,0,1,0,0|2,0,1]=4 979 B8R1.50 C[C@@H]1C(=O)NC[C@H]1O Amb27881742 [0,0,0,1,0,0|2,0,1]=4 980 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1N Amb28055949 [0,0,0,1,0,0|2,0,1]=4 981 B8R1.50 C[C@@H]1COC(=O)[C@@H]1C Amb28411565 [0,0,0,1,0,0|2,0,1]=4 982 B8R1.50 C[C@H]1C(=O)OC[C@H]1N Amb27635064 [0,0,0,1,0,0|2,0,1]=4 983 B8R1.50 Cc1c(O)noc1N Amb23504024 [0,0,0,1,0,0|2,0,1]=4 984 B8R1.50 Cc1onc(O)c1C Amb10552497 [0,0,0,1,0,0|2,0,1]=4 985 B8R1.50 N=C1COC(=O)C1N Amb27839054 [0,0,0,1,0,0|3,0,0]=4 986 B8R1.50 NC1=C(O)COC1=O Amb27830449 [0,0,0,1,0,0|2,0,1]=4 987 B8R1.50 NC1C(=O)CCC1=O Amb27409660 [0,0,0,1,0,0|3,0,0]=4 988 B8R1.50 NC1C(=O)NNC1=O Amb26392782 [0,0,0,1,0,0|3,0,0]=4 989 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb24697759 [0,0,0,1,0,0|2,0,1]=4 990 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb32751750 [0,0,0,1,0,0|2,0,1]=4 991 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O Amb27202409 [0,0,0,1,0,0|2,0,1]=4 992 B8R1.50 N[C@H]1C(=O)OC[C@@H]1O Amb27620425 [0,0,0,1,0,0|2,0,1]=4 993 B8R1.50 O=C1CCC(=O)C1Br Amb10975590 [0,0,0,1,0,0|3,0,0]=4 994 B8R1.50 O=C1CCC(=O)C1Cl Amb27471835 [0,0,0,1,0,0|3,0,0]=4 995 B8R1.50 O=C1CCC(=O)C1O Amb24443990 [0,0,0,1,0,0|3,0,0]=4 996 B8R1.50 O=C1COC(=O)C1Br Amb17594578 [0,0,0,1,0,0|2,0,0]=3 997 B8R1.50 O=C1COC(=O)C1Cl Amb534802 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.50 O=C1NNC(=O)C1F Amb27268595 [0,0,0,1,0,0|3,0,0]=4 999 B8R1.50 O=C1OC=C(O)C1Cl Amb28396605 [0,0,0,1,0,0|2,0,0]=3 1000 B8R1.50 O=C1OCC(O)=C1Br Amb5751200 [0,0,0,1,0,0|2,0,1]=4 1001 B8R1.50 O=C1OCC(O)=C1F Amb27812981 [0,0,0,1,0,0|2,0,1]=4 1002 B8R1.50 O=C1OCC(O)=C1O Amb23505710 [0,0,0,1,0,0|2,0,1]=4 1003 B8R1.50 O=C1OCC(O)C1O Amb22730078 [0,0,0,1,0,0|2,0,1]=4 1004 B8R1.50 O=C1OC[C@@H](O)[C@@H]1O Amb24609731 [0,0,0,1,0,0|2,0,1]=4 1005 B8R1.50 O=C1OC[C@@H](O)[C@H]1Br Amb32414616 [0,0,0,1,0,0|2,0,1]=4 1006 B8R1.50 O=C1OC[C@@H](O)[C@H]1O Amb8515014 [0,0,0,1,0,0|2,0,1]=4 1007 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br Amb10067848 [0,0,0,1,0,0|2,0,1]=4 1008 B8R1.50 O=C1OC[C@H](O)[C@@H]1O Amb27440225 [0,0,0,1,0,0|2,0,1]=4 1009 B8R1.50 O=C1OC[C@H](O)[C@H]1Br Amb27634828 [0,0,0,1,0,0|2,0,1]=4 1010 B8R1.50 O=C1OC[C@H](O)[C@H]1F Amb27775907 [0,0,0,1,0,0|2,0,1]=4 1011 B8R1.50 O=C1OC[C@H](O)[C@H]1O Amb15692412 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.50 O=C1ON=C(O)C1F Amb27193869 [0,0,0,1,0,0|2,0,0]=3 1013 B8R1.50 OC1=CC=C(O)C1O Amb27651887 [0,0,0,1,0,0|3,0,0]=4 1014 B8R1.54 CC(C(=O)O)=C1CC1 Amb24450586 [0,0,0,1,0,0|2,0,1]=4 1015 B8R1.54 CC(C(=O)O)C1CC1 Amb33537630 [0,0,0,1,0,0|2,0,1]=4 1016 B8R1.54 C[C@@H](C(=O)O)C1CC1 Amb33732043 [0,0,0,1,0,0|2,0,1]=4 1017 B8R1.54 C[C@H](C(=O)O)C1CC1 Amb33744363 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.77 CC(=O)C1CC1(C)O Amb27963572 [0,0,0,1,0,0|2,0,1]=4 1019 B8R1.77 CC1(Br)CC1C(=O)O Amb26021075 [0,0,0,1,0,0|2,0,1]=4 1020 B8R1.77 CC1(C)CC1C(=O)O Amb8385610 [0,0,0,1,0,0|2,0,1]=4 1021 B8R1.77 CC1(C)C[C@@H]1C(=O)O Amb8629067 [0,0,0,1,0,0|2,0,1]=4 1022 B8R1.77 C[C@@]1(Br)C[C@@H]1C(=O)O Amb27477854 [0,0,0,1,0,0|2,0,1]=4 1023 B8R1.77 O=C(O)C1CC1(Cl)Cl Amb1106460 [0,0,0,1,0,0|2,0,1]=4 1024 B8R1.77 O=C(O)C1CC1(F)Br Amb25952257 [0,0,0,1,0,0|2,0,1]=4 1025 B8R1.77 O=C(O)C1CC1(F)Cl Amb10841879 [0,0,0,1,0,0|2,0,1]=4 1026 B8R1.77 O=C(O)C1CC1(F)F Amb2691845 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.77 O=C(O)[C@@H]1CC1(F)F Amb30869365 [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.77 O=C(O)[C@@H]1C[C@@]1(F)Cl Amb28252683 [0,0,0,1,0,0|2,0,1]=4 1029 B8R1.77 O=C(O)[C@H]1CC1(Cl)Cl Amb27444143 [0,0,0,1,0,0|2,0,1]=4 1030 B8R1.77 O=C(O)[C@H]1CC1(F)F Amb33802940 [0,0,0,1,0,0|2,0,1]=4 1031 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,0,0,0,0,1|1,0,0]=2 1032 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,0,0,0,0,1|3,0,0]=4 1033 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,0,0,0,0,1|3,0,0]=4 1034 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,0,0,0,0,1|3,0,0]=4 1035 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,0,0,0,0,1|3,0,0]=4 1036 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,0,0,0,0,1|2,0,0]=3 1037 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,0,0,0,0,1|3,0,0]=4 1038 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,0,0,0,0,1|3,0,0]=4 1039 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,0,0,0,0,1|3,0,0]=4 1040 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,0,0,0,0,1|2,0,0]=3 1041 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,0,0,0,0,1|3,0,0]=4 1042 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,0,0,0,0,1|3,0,0]=4 1043 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,0,0,0,0,1|3,0,0]=4 1044 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,0,0,0,0,1|2,0,0]=3 1045 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,0,0,0,0,1|3,0,0]=4 1046 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,0,0,0,0,1|2,0,0]=3 1047 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,0,0,0,0,1|3,0,0]=4 1048 B8R0.23 C=C(C)OC(C)C(C)=O Amb27838756 [0,0,0,0,0,1|3,0,0]=4 1049 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,0,0,0,0,1|3,0,0]=4 1050 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,0,0,0,0,1|2,0,0]=3 1051 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,0,0,0,0,1|3,0,0]=4 1052 B8R0.23 C=C(C)\C(C)=C\C(=O)O Amb17593311 [0,0,0,0,0,1|2,0,1]=4 1053 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,0,0,0,0,1|0,0,2]=3 1054 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,0,0,0,0,1|1,0,2]=4 1055 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,0,0,0,0,1|1,0,2]=4 1056 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,0,0,0,0,1|3,0,0]=4 1057 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,0,0,0,0,1|3,0,0]=4 1058 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,0,0,0,0,1|3,0,0]=4 1059 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,0,0,0,0,1|3,0,0]=4 1060 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,0,0,0,0,1|3,0,0]=4 1061 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,0,0,0,0,1|3,0,0]=4 1062 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,0,0,0,0,1|2,0,0]=3 1063 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,0,0,0,0,1|3,0,0]=4 1064 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,0,0,0,0,1|3,0,0]=4 1065 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,0,0,0,0,1|1,0,2]=4 1066 B8R0.23 CC(=N)NC(C)C(N)=O Amb27412520 [0,0,0,0,0,1|3,0,0]=4 1067 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,0,0,0,0,1|2,0,1]=4 1068 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,0,0,0,0,1|2,0,0]=3 1069 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,0,0,0,0,1|1,0,0]=2 1070 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,0,0,0,0,1|2,0,0]=3 1071 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,0,0,0,0,1|2,0,0]=3 1072 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,0,0,0,0,1|2,0,0]=3 1073 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,0,1|3,0,0]=4 1074 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,0,0,0,0,1|2,0,0]=3 1075 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,0,0,0,0,1|2,0,1]=4 1076 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,0,0,0,0,1|1,0,0]=2 1077 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,0,0,0,0,1|2,0,0]=3 1078 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,0,0,0,0,1|2,0,1]=4 1079 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,0,0,0,0,1|2,0,0]=3 1080 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,0,0,0,0,1|2,0,0]=3 1081 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,0,0,0,0,1|3,0,0]=4 1082 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,0,0,0,0,1|2,0,0]=3 1083 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,0,0,0,0,1|3,0,0]=4 1084 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,0,0,0,0,1|2,0,0]=3 1085 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,0,0,0,0,1|2,0,0]=3 1086 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,0,0,0,0,1|1,0,0]=2 1087 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,0,0,0,0,1|2,0,0]=3 1088 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,0,0,0,0,1|2,0,0]=3 1089 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,0,0,0,0,1|2,0,0]=3 1090 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,0,0,0,0,1|2,0,0]=3 1091 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,0,0,0,0,1|3,0,0]=4 1092 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,0,0,0,0,1|3,0,0]=4 1093 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,0,0,0,0,1|3,0,0]=4 1094 B8R0.23 CC(=O)NC(C)B(O)O Amb25125858 [0,0,0,0,0,1|2,0,1]=4 1095 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,0,0,0,0,1|1,0,0]=2 1096 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,0,0,0,0,1|2,0,0]=3 1097 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,0,0,0,0,1|2,0,0]=3 1098 B8R0.23 CC(=O)N[C@@H](C)B(O)O Amb28397356 [0,0,0,0,0,1|2,0,1]=4 1099 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,0,0,0,0,1|1,0,0]=2 1100 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,0,0,0,0,1|2,0,0]=3 1101 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,0,0,0,0,1|1,0,0]=2 1102 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,0,0,0,0,1|2,0,0]=3 1103 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,0,0,0,0,1|1,0,0]=2 1104 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,0,0,0,0,1|2,0,0]=3 1105 B8R0.23 CC(=O)OC(C)C(C)O Amb28366888 [0,0,0,0,0,1|2,0,1]=4 1106 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,0,0,0,0,1|2,0,0]=3 1107 B8R0.23 CC(=O)ON(C)C(C)=O Amb4017292 [0,0,0,0,0,1|3,0,0]=4 1108 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,0,0,0,0,1|2,0,0]=3 1109 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,0,0,0,0,1|1,0,0]=2 1110 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,0,0,0,0,1|2,0,0]=3 1111 B8R0.23 CC(=O)O[C@@H](C)C(N)=S Amb28067714 [0,0,0,0,0,1|2,1,0]=4 1112 B8R0.23 CC(=O)O[C@@H](C)[C@H](C)O Amb28321279 [0,0,0,0,0,1|2,0,1]=4 1113 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,0,0,0,0,1|2,0,0]=3 1114 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,0,0,0,0,1|1,0,0]=2 1115 B8R0.23 CC(=O)O[C@H](C)C(C)O Amb27192959 [0,0,0,0,0,1|2,0,1]=4 1116 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,0,0,0,0,1|2,0,0]=3 1117 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,0,0,0,0,1|1,0,0]=2 1118 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,0,0,0,0,1|1,0,0]=2 1119 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,0,0,0,0,1|3,0,0]=4 1120 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,0,0,0,0,1|2,0,0]=3 1121 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,0,0,0,0,1|1,0,0]=2 1122 B8R0.23 CC(=O)\C(Br)=C\C(=O)O Amb27983634 [0,0,0,0,0,1|2,0,1]=4 1123 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,0,0,0,0,1|1,0,1]=3 1124 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,0,0,0,0,1|1,0,1]=3 1125 B8R0.23 CC(=O)\C=C(/C)[PH](=O)O Amb27838812 [0,0,0,0,0,1|2,0,1]=4 1126 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,0,0,0,0,1|2,0,1]=4 1127 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,0,0,0,0,1|2,0,1]=4 1128 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,0,0,0,0,1|2,0,1]=4 1129 B8R0.23 CC(=O)\C=C(\C)[PH](=O)O Amb28248338 [0,0,0,0,0,1|2,0,1]=4 1130 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,0,0,0,0,1|2,0,1]=4 1131 B8R0.23 CC(=O)\N=C(/C)C(C)=O Amb26476592 [0,0,0,0,0,1|2,0,1]=4 1132 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,0,0,0,0,1|1,1,0]=3 1133 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,0,0,0,0,1|2,0,1]=4 1134 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,0,0,0,0,1|2,0,1]=4 1135 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,0,0,0,0,1|3,0,0]=4 1136 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,0,0,0,0,1|3,0,0]=4 1137 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,0,0,0,0,1|3,0,0]=4 1138 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,0,0,0,0,1|2,0,1]=4 1139 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,0,0,0,0,1|2,0,1]=4 1140 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,0,0,0,0,1|2,0,1]=4 1141 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,0,0,0,0,1|2,0,1]=4 1142 B8R0.23 CC(C)NC(C)C(=O)O Amb10199874 [0,0,0,0,0,1|2,0,1]=4 1143 B8R0.23 CC(C)NC(C)C(=O)O Amb1110769 [0,0,0,0,0,1|2,0,1]=4 1144 B8R0.23 CC(C)N[C@H](C)C(=O)O Amb26409390 [0,0,0,0,0,1|2,0,1]=4 1145 B8R0.23 CC(C)OC(C)C(=O)O Amb10607866 [0,0,0,0,0,1|2,0,1]=4 1146 B8R0.23 CC(C)SC(C)C(=O)O Amb6263656 [0,0,0,0,0,1|2,0,1]=4 1147 B8R0.23 CC(C)S[C@H](C)C(=O)O Amb27771567 [0,0,0,0,0,1|2,0,1]=4 1148 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,0,0,0,0,1|2,0,1]=4 1149 B8R0.23 CC(CC(=N)N)C(N)=O Amb27209796 [0,0,0,0,0,1|3,0,0]=4 1150 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,0,1|2,0,0]=3 1151 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,0,0,0,1|0,0,0]=1 1152 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [0,0,0,0,0,1|2,0,1]=4 1153 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,0,0,0,0,1|1,0,0]=2 1154 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [0,0,0,0,0,1|2,0,1]=4 1155 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,0,0,0,0,1|3,0,0]=4 1156 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,0,0,0,0,1|3,0,0]=4 1157 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,0,0,0,0,1|2,0,0]=3 1158 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [0,0,0,0,0,1|2,0,1]=4 1159 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,0,0,0,0,1|1,0,0]=2 1160 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,0,0,0,0,1|2,0,0]=3 1161 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,0,0,0,0,1|3,0,0]=4 1162 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,0,0,0,0,1|3,0,0]=4 1163 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,0,0,0,0,1|3,0,0]=4 1164 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,0,0,0,0,1|1,0,0]=2 1165 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,0,0,0,0,1|2,0,0]=3 1166 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,0,0,0,0,1|3,0,0]=4 1167 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,0,0,0,0,1|1,0,0]=2 1168 B8R0.23 CC(NC(=N)N)C(=O)Cl Amb27960711 [0,0,0,0,0,1|3,0,0]=4 1169 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,0,0,0,0,1|2,0,0]=3 1170 B8R0.23 CC(NC(=S)S)C(=O)O Amb25336384 [0,0,0,0,0,1|0,2,0]=3 1171 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,0,0,0,0,1|1,0,0]=2 1172 B8R0.23 CC(N[N+](=O)[O-])C(=O)O Amb27873513 [0,0,0,0,0,1|1,0,1]=3 1173 B8R0.23 CC(O)C(C)NC(N)=O Amb27254184 [0,0,0,0,0,1|2,0,1]=4 1174 B8R0.23 CC(O)C(C)OC(N)=O Amb27644455 [0,0,0,0,0,1|2,0,1]=4 1175 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,0,0,0,0,1|2,0,1]=4 1176 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,0,0,0,0,1|2,0,1]=4 1177 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,0,0,0,0,1|2,0,1]=4 1178 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,0,0,0,0,1|2,0,1]=4 1179 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,0,0,0,0,1|1,0,0]=2 1180 B8R0.23 CC(OC(F)F)C(=O)O Amb24358717 [0,0,0,0,0,1|2,0,1]=4 1181 B8R0.23 CC(OP(O)O)C(N)=O Amb28455746 [0,0,0,0,0,1|2,0,1]=4 1182 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,0,0,0,0,1|1,0,1]=3 1183 B8R0.23 CC(SC(=N)N)C(N)=O Amb27434418 [0,0,0,0,0,1|3,0,0]=4 1184 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,0,0,0,0,1|1,1,0]=3 1185 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,0,0,0,0,1|3,0,0]=4 1186 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,0,0,0,0,1|3,0,0]=4 1187 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,0,0,0,0,1|3,0,0]=4 1188 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,0,0,0,0,1|2,0,0]=3 1189 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,0,0,0,0,1|1,2,0]=4 1190 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,0,0,0,0,1|2,0,0]=3 1191 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,0,0,0,0,1|3,0,0]=4 1192 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,0,0,0,0,1|2,0,1]=4 1193 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,0,0,0,0,1|3,0,0]=4 1194 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,0,0,0,0,1|3,0,0]=4 1195 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,0,0,0,0,1|3,0,0]=4 1196 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,0,0,0,0,1|0,0,0]=1 1197 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [0,0,0,0,0,1|2,0,1]=4 1198 B8R0.23 C[C@@H](N=C(N)N)C(N)=O Amb28049818 [0,0,0,0,0,1|3,0,0]=4 1199 B8R0.23 C[C@@H](NC(=N)N)C(N)=O Amb28121974 [0,0,0,0,0,1|3,0,0]=4 1200 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,0,0,0,0,1|1,0,0]=2 1201 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,0,0,0,0,1|2,0,0]=3 1202 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,0,0,0,0,1|2,0,1]=4 1203 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,0,0,0,0,1|2,0,1]=4 1204 B8R0.23 C[C@@H](OC(F)F)C(=O)O Amb24389309 [0,0,0,0,0,1|2,0,1]=4 1205 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,0,0,0,0,1|1,0,0]=2 1206 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,0,0,0,0,1|0,0,0]=1 1207 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [0,0,0,0,0,1|2,0,1]=4 1208 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,0,0,0,0,1|1,0,0]=2 1209 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,0,0,0,0,1|2,0,0]=3 1210 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [0,0,0,0,0,1|2,0,1]=4 1211 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,0,0,0,0,1|2,0,0]=3 1212 B8R0.23 C[C@H](NC(=N)N)C(N)=O Amb27484450 [0,0,0,0,0,1|3,0,0]=4 1213 B8R0.23 C[C@H](NC(=O)Cl)C(=O)Cl Amb28292733 [0,0,0,0,0,1|2,0,0]=3 1214 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,0,0,0,0,1|1,0,0]=2 1215 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,0,0,0,0,1|2,0,0]=3 1216 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,0,0,0,0,1|2,0,1]=4 1217 B8R0.23 C[C@H](OC(F)F)C(=O)O Amb26499188 [0,0,0,0,0,1|2,0,1]=4 1218 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,0,0,0,0,1|3,0,0]=4 1219 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,0,0,0,0,1|3,0,0]=4 1220 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,0,0,0,0,1|3,0,0]=4 1221 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,0,0,0,0,1|0,0,1]=2 1222 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,0,0,0,0,1|1,0,1]=3 1223 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,0,0,0,0,1|1,0,1]=3 1224 B8R0.23 C\C(=C/C(N)=O)C(N)=O Amb27447197 [0,0,0,0,0,1|2,0,1]=4 1225 B8R0.23 C\C(=C/[N+](=O)[O-])C(=O)O Amb27201518 [0,0,0,0,0,1|1,0,2]=4 1226 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,0,0,0,0,1|0,0,1]=2 1227 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,0,0,0,0,1|2,0,0]=3 1228 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,0,0,0,0,1|3,0,0]=4 1229 B8R0.23 C\C(N)=N/[C@H](C)C(N)=O Amb28049817 [0,0,0,0,0,1|3,0,0]=4 1230 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,0,0,0,0,1|2,0,0]=3 1231 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,0,0,0,0,1|2,0,0]=3 1232 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,0,0,0,0,1|2,0,0]=3 1233 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,0,0,0,0,1|2,0,1]=4 1234 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,0,0,0,0,1|2,0,0]=3 1235 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,0,0,0,0,1|2,0,0]=3 1236 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,0,0,0,0,1|2,0,0]=3 1237 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,0,0,0,0,1|2,0,0]=3 1238 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,0,0,0,0,1|3,0,0]=4 1239 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,0,0,0,0,1|2,0,0]=3 1240 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,0,0,0,0,1|3,0,0]=4 1241 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,0,0,0,0,1|2,0,0]=3 1242 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,0,0,0,0,1|2,0,0]=3 1243 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,0,0,0,0,1|2,0,0]=3 1244 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,0,0,0,0,1|2,0,0]=3 1245 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,0,0,0,0,1|3,0,0]=4 1246 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,0,0,0,0,1|2,0,0]=3 1247 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,0,0,0,0,1|3,0,0]=4 1248 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,0,0,0,0,1|2,0,0]=3 1249 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,0,0,0,0,1|2,0,0]=3 1250 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,0,0,0,0,1|2,0,0]=3 1251 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,0,0,0,0,1|3,0,0]=4 1252 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,0,0,0,0,1|2,0,0]=3 1253 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,0,0,0,0,1|3,0,0]=4 1254 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,0,0,0,0,1|2,0,1]=4 1255 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,0,0,0,0,1|2,0,0]=3 1256 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,0,0,0,0,1|2,0,0]=3 1257 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,0,0,0,0,1|2,0,0]=3 1258 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,0,0,0,0,1|2,0,0]=3 1259 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,0,0,0,0,1|2,0,0]=3 1260 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,0,0,0,0,1|2,0,0]=3 1261 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,0,0,0,0,1|2,0,1]=4 1262 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,0,0,0,0,1|2,0,1]=4 1263 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,0,0,0,0,1|2,0,1]=4 1264 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,0,0,0,0,1|2,1,0]=4 1265 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,0,0,0,0,1|3,0,0]=4 1266 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,0,0,0,0,1|2,0,1]=4 1267 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,0,0,0,0,1|2,0,1]=4 1268 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,0,0,0,0,1|2,0,1]=4 1269 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,0,0,0,0,1|1,0,0]=2 1270 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,0,0,0,0,1|1,0,1]=3 1271 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,0,0,0,0,1|1,0,1]=3 1272 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,0,0,0,0,1|2,0,0]=3 1273 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,0,0,0,0,1|1,0,0]=2 1274 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,0,0,0,0,1|1,0,0]=2 1275 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,0,0,0,0,1|1,0,1]=3 1276 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,0,0,0,0,1|1,0,1]=3 1277 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,0,0,0,0,1|1,0,1]=3 1278 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,0,0,0,0,1|1,0,2]=4 1279 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,0,0,0,0,1|2,0,0]=3 1280 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,0,0,0,0,1|2,0,0]=3 1281 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,0,0,0,0,1|2,0,1]=4 1282 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,0,0,0,0,1|1,0,0]=2 1283 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,0,0,0,0,1|3,0,0]=4 1284 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,0,0,0,0,1|2,0,1]=4 1285 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,0,0,0,0,1|1,0,2]=4 1286 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,0,0,0,0,1|2,0,1]=4 1287 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,0,0,0,0,1|1,0,1]=3 1288 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,0,0,0,0,1|1,0,1]=3 1289 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,0,0,0,0,1|1,0,0]=2 1290 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,0,0,0,0,1|1,0,0]=2 1291 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,0,0,0,0,1|1,0,0]=2 1292 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,0,0,0,0,1|1,0,0]=2 1293 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,0,0,0,0,1|1,0,0]=2 1294 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,0,0,0,0,1|1,0,0]=2 1295 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,0,0,0,0,1|1,0,0]=2 1296 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,0,0,0,0,1|1,0,0]=2 1297 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,0,0,0,0,1|1,0,0]=2 1298 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,0,0,0,0,1|1,0,0]=2 1299 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,0,0,0,0,1|1,0,0]=2 1300 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,0,0,0,0,1|1,0,0]=2 1301 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,0,0,0,0,1|1,0,1]=3 1302 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,0,0,0,0,1|1,0,1]=3 1303 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,0,0,0,0,1|1,0,1]=3 1304 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,0,0,0,0,1|1,0,1]=3 1305 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,0,0,0,0,1|1,0,1]=3 1306 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,0,0,0,0,1|1,0,1]=3 1307 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,0,0,0,0,1|1,0,2]=4 1308 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,0,0,0,0,1|1,0,2]=4 1309 B5R0.1 C#CCC(=O)O Amb33532662 [2,0,0,0,0,0|1,0,1]=4 1310 B5R0.1 C=C(C)CC=O Amb28202583 [2,0,0,0,0,0|2,0,0]=4 1311 B5R0.1 C=CCC(=O)Cl Amb33543701 [2,0,0,0,0,0|2,0,0]=4 1312 B5R0.1 C=CCC(=O)O Amb3940098 [2,0,0,0,0,0|1,0,0]=3 1313 B5R0.1 C=CCC(C)=O Amb8396482 [2,0,0,0,0,0|2,0,0]=4 1314 B5R0.1 C=CCC(N)=O Amb17610156 [2,0,0,0,0,0|2,0,0]=4 1315 B5R0.1 C=CCS(=O)O Amb33534190 [2,0,0,0,0,0|2,0,0]=4 1316 B5R0.1 C=CC[PH](=O)O Amb8391287 [2,0,0,0,0,0|2,0,0]=4 1317 B5R0.1 CC(=O)CC=N Amb28285098 [2,0,0,0,0,0|2,0,0]=4 1318 B5R0.1 CC(=O)CCO Amb836357 [2,0,0,0,0,0|1,0,1]=4 1319 B5R0.1 CC(=O)CNO Amb28049954 [2,0,0,0,0,0|2,0,0]=4 1320 B5R0.1 CC(=O)NC=O Amb27850191 [2,0,0,0,0,0|2,0,0]=4 1321 B5R0.1 CC(=O)OC=O Amb25283525 [2,0,0,0,0,0|2,0,0]=4 1322 B5R0.1 CC(O)CC=O Amb4036424 [2,0,0,0,0,0|1,0,1]=4 1323 B5R0.1 CCCC(=O)O Amb3939012 [2,0,0,0,0,0|1,0,1]=4 1324 B5R0.1 CNCC(=O)O Amb6298808 [2,0,0,0,0,0|2,0,0]=4 1325 B5R0.1 CNCC(=O)O Amb6599996 [2,0,0,0,0,0|2,0,0]=4 1326 B5R0.1 COCC(=O)O Amb3939876 [2,0,0,0,0,0|2,0,0]=4 1327 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|2,0,0]=4 1328 B5R0.1 C[C@H](O)CC=O Amb27595676 [2,0,0,0,0,0|1,0,1]=4 1329 B5R0.1 C\C=C/C(=O)O Amb27779315 [2,0,0,0,0,0|1,0,1]=4 1330 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|1,0,1]=4 1331 B5R0.1 N#CCC(=O)O Amb2609022 [2,0,0,0,0,0|1,0,1]=4 1332 B5R0.1 NC(=O)CC=O Amb25777522 [2,0,0,0,0,0|1,0,0]=3 1333 B5R0.1 NC(=O)CCO Amb9421407 [2,0,0,0,0,0|1,0,1]=4 1334 B5R0.1 NC(=O)NC=O Amb8514974 [2,0,0,0,0,0|2,0,0]=4 1335 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,1]=4 1336 B5R0.1 NNCC(=O)O Amb32751165 [2,0,0,0,0,0|2,0,0]=4 1337 B5R0.1 NNCC(=O)O Amb6740299 [2,0,0,0,0,0|2,0,0]=4 1338 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|2,0,0]=4 1339 B5R0.1 NOCC(=O)O Amb4324355 [2,0,0,0,0,0|2,0,0]=4 1340 B5R0.1 NOCC(=O)O Amb8513076 [2,0,0,0,0,0|2,0,0]=4 1341 B5R0.1 N\C=C\C(=O)O Amb27217920 [2,0,0,0,0,0|1,0,1]=4 1342 B5R0.1 O=C(Cl)CCO Amb27270014 [2,0,0,0,0,0|1,0,1]=4 1343 B5R0.1 O=C(O)CCBr Amb2685479 [2,0,0,0,0,0|1,0,1]=4 1344 B5R0.1 O=C(O)CCCl Amb5395408 [2,0,0,0,0,0|1,0,1]=4 1345 B5R0.1 O=C(O)CCF Amb10603694 [2,0,0,0,0,0|1,0,1]=4 1346 B5R0.1 O=C(O)CCI Amb2688882 [2,0,0,0,0,0|1,0,1]=4 1347 B5R0.1 O=C(O)CCO Amb2688785 [2,0,0,0,0,0|0,0,1]=3 1348 B5R0.1 O=C(O)CCS Amb6608916 [2,0,0,0,0,0|0,1,1]=4 1349 B5R0.1 O=C(O)CNO Amb24120360 [2,0,0,0,0,0|1,0,0]=3 1350 B5R0.1 O=C(O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,1]=4 1351 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [2,0,0,0,0,0|1,0,1]=4 1352 B5R0.1 O=C(O)\C=C/I Amb28315824 [2,0,0,0,0,0|1,0,1]=4 1353 B5R0.1 O=C(O)\C=C\Br Amb27423608 [2,0,0,0,0,0|1,0,1]=4 1354 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [2,0,0,0,0,0|1,0,1]=4 1355 B5R0.1 O=C(O)\C=C\I Amb30584673 [2,0,0,0,0,0|1,0,1]=4 1356 B5R0.1 O=C(O)\C=C\O Amb26055842 [2,0,0,0,0,0|0,0,1]=3 1357 B5R0.1 O=C(O)\C=C\S Amb28401590 [2,0,0,0,0,0|0,1,1]=4 1358 B5R0.1 O=C(O)\C=N\O Amb20671938 [2,0,0,0,0,0|1,0,1]=4 1359 B5R0.1 O=C([O-])CCO Amb22055495 [2,0,0,0,0,0|0,0,2]=4 1360 B5R0.1 O=CCB(O)O Amb27449470 [2,0,0,0,0,0|1,0,1]=4 1361 B5R0.1 O=CCC(=O)O Amb22169407 [2,0,0,0,0,0|0,0,0]=2 1362 B5R0.1 O=CCC(=O)[Na] Amb27949540 [2,0,0,0,0,0|1,0,0]=3 1363 B5R0.1 O=CC[N+](=O)[O-] Amb28049659 [2,0,0,0,0,0|1,0,1]=4 1364 B5R0.1 O=S(O)CCO Amb25937057 [2,0,0,0,0,0|1,0,1]=4 1365 B5R0.3 C=CC(Br)C=O Amb27477894 [2,0,0,0,0,0|2,0,0]=4 1366 B5R0.3 C=CC(C)C=C Amb22337672 [2,0,0,0,0,0|2,0,0]=4 1367 B5R0.3 C=CC(C)C=O Amb25737956 [2,0,0,0,0,0|1,0,0]=3 1368 B5R0.3 C=CC(C)CO Amb22347861 [2,0,0,0,0,0|1,0,1]=4 1369 B5R0.3 C=CC(Cl)C=O Amb27477543 [2,0,0,0,0,0|2,0,0]=4 1370 B5R0.3 C=C[C@H](C)CO Amb27470174 [2,0,0,0,0,0|1,0,1]=4 1371 B5R0.3 CC(C#N)C=O Amb9669144 [2,0,0,0,0,0|1,0,1]=4 1372 B5R0.3 CC(C=O)C=O Amb17593026 [2,0,0,0,0,0|0,0,0]=2 1373 B5R0.3 CC(C=O)CF Amb24638421 [2,0,0,0,0,0|1,0,1]=4 1374 B5R0.3 CC(C=O)O[SiH3] Amb28284225 [2,0,0,0,0,0|2,0,0]=4 1375 B5R0.3 CC(CO)CO Amb9788669 [2,0,0,0,0,0|0,0,2]=4 1376 B5R0.3 CC(CO)N=O Amb28365917 [2,0,0,0,0,0|1,0,1]=4 1377 B5R0.3 CC(CO)NO Amb27471121 [2,0,0,0,0,0|1,0,1]=4 1378 B5R0.3 CCC(C)C=O Amb3939899 [2,0,0,0,0,0|1,0,1]=4 1379 B5R0.3 CC[C@@H](C)C=O Amb27759282 [2,0,0,0,0,0|1,0,1]=4 1380 B5R0.3 CC[C@H](C)C=O Amb27837733 [2,0,0,0,0,0|1,0,1]=4 1381 B5R0.3 CN(C=O)C=O Amb24098492 [2,0,0,0,0,0|1,0,0]=3 1382 B5R0.3 CN(C=O)CO Amb27253133 [2,0,0,0,0,0|1,0,1]=4 1383 B5R0.3 COC(C)C=O Amb27875195 [2,0,0,0,0,0|2,0,0]=4 1384 B5R0.3 CO[C@@H](C)C=O Amb28121215 [2,0,0,0,0,0|2,0,0]=4 1385 B5R0.3 CO[C@H](C)C=O Amb28284155 [2,0,0,0,0,0|2,0,0]=4 1386 B5R0.3 CSC(C)C=O Amb27454927 [2,0,0,0,0,0|2,0,0]=4 1387 B5R0.3 C[C@@H](C=O)CBr Amb28200669 [2,0,0,0,0,0|1,0,1]=4 1388 B5R0.3 C[C@@H](C=O)CO Amb27455063 [2,0,0,0,0,0|0,0,1]=3 1389 B5R0.3 C\C(C=O)=C/N Amb26887758 [2,0,0,0,0,0|1,0,1]=4 1390 B5R0.3 C\C(C=O)=C\I Amb28240324 [2,0,0,0,0,0|1,0,1]=4 1391 B5R0.3 C\C(C=O)=C\O Amb27947285 [2,0,0,0,0,0|0,0,1]=3 1392 B5R0.3 C\C=C(/C)C=O Amb30526844 [2,0,0,0,0,0|1,0,1]=4 1393 B5R0.3 C\C=C(\C)C=O Amb24333046 [2,0,0,0,0,0|1,0,1]=4 1394 B5R0.3 N=CC(Br)C=O Amb28141456 [2,0,0,0,0,0|2,0,0]=4 1395 B5R0.3 NC(C=O)C=O Amb22751007 [2,0,0,0,0,0|1,0,0]=3 1396 B5R0.3 N[C@H](C=O)CO Amb27170308 [2,0,0,0,0,0|1,0,1]=4 1397 B5R0.3 N\C(C=O)=C/O Amb28315747 [2,0,0,0,0,0|1,0,1]=4 1398 B5R0.3 O=CC(=O)C=O Amb17593025 [2,0,0,0,0,0|1,0,1]=4 1399 B5R0.3 O=CC(Br)C=O Amb2455922 [2,0,0,0,0,0|1,0,0]=3 1400 B5R0.3 O=CC(Cl)C=O Amb8515721 [2,0,0,0,0,0|1,0,0]=3 1401 B5R0.3 O=CC(Cl)CO Amb17593122 [2,0,0,0,0,0|1,0,1]=4 1402 B5R0.3 O=CC(F)C=O Amb22230729 [2,0,0,0,0,0|1,0,0]=3 1403 B5R0.3 O=CC(F)CO Amb28043006 [2,0,0,0,0,0|1,0,1]=4 1404 B5R0.3 O=CC(I)C=O Amb24548139 [2,0,0,0,0,0|1,0,0]=3 1405 B5R0.3 O=CC(O)C=O Amb17615780 [2,0,0,0,0,0|1,0,0]=3 1406 B5R0.3 O=CC(O)CO Amb3940759 [2,0,0,0,0,0|1,0,1]=4 1407 B5R0.3 O=CC(S)CO Amb4020723 [2,0,0,0,0,0|1,0,1]=4 1408 B5R0.3 O=CN([Na])C=O Amb19884111 [2,0,0,0,0,0|2,0,0]=4 1409 B5R0.3 O=C[C@@H](O)CO Amb16232009 [2,0,0,0,0,0|1,0,1]=4 1410 B5R0.3 O=C[C@H](O)CO Amb20242417 [2,0,0,0,0,0|1,0,1]=4 1411 B5R0.3 O=C\C(Br)=C/O Amb24333812 [2,0,0,0,0,0|1,0,1]=4 1412 B5R0.3 O=C\C(Br)=C\O Amb24478132 [2,0,0,0,0,0|1,0,1]=4 1413 B5R0.3 O=C\C(F)=C/O Amb27251562 [2,0,0,0,0,0|1,0,1]=4 1414 B5R0.3 O=C\C(O)=C\O Amb27863726 [2,0,0,0,0,0|1,0,1]=4 1415 B5R0.5 C=C(Br)C(=O)O Amb20620403 [2,0,0,0,0,0|1,0,1]=4 1416 B5R0.5 C=C(C)C(=O)Cl Amb534203 [2,0,0,0,0,0|1,0,1]=4 1417 B5R0.5 C=C(C)C(=O)O Amb6608998 [2,0,0,0,0,0|0,0,1]=3 1418 B5R0.5 C=C(C)C(C)=O Amb17593021 [2,0,0,0,0,0|1,0,1]=4 1419 B5R0.5 C=C(C)C(C)O Amb28282626 [2,0,0,0,0,0|2,0,0]=4 1420 B5R0.5 C=C(C)C(N)=O Amb6609019 [2,0,0,0,0,0|1,0,1]=4 1421 B5R0.5 C=C(C)[C@@H](C)O Amb25834912 [2,0,0,0,0,0|2,0,0]=4 1422 B5R0.5 C=C(C)[C@H](C)O Amb25294556 [2,0,0,0,0,0|2,0,0]=4 1423 B5R0.5 C=C(Cl)C(=O)O Amb17933971 [2,0,0,0,0,0|1,0,1]=4 1424 B5R0.5 C=C(F)C(=O)O Amb2688008 [2,0,0,0,0,0|1,0,1]=4 1425 B5R0.5 CC(=O)C(=O)Cl Amb17593107 [2,0,0,0,0,0|1,0,1]=4 1426 B5R0.5 CC(=O)C(=O)O Amb932807 [2,0,0,0,0,0|0,0,1]=3 1427 B5R0.5 CC(=O)C(=O)[O-] Amb22043412 [2,0,0,0,0,0|0,0,2]=4 1428 B5R0.5 CC(=O)C(C)=O Amb6608675 [2,0,0,0,0,0|1,0,1]=4 1429 B5R0.5 CC(=O)C(C)Br Amb8384405 [2,0,0,0,0,0|2,0,0]=4 1430 B5R0.5 CC(=O)C(C)C Amb4605987 [2,0,0,0,0,0|1,0,1]=4 1431 B5R0.5 CC(=O)C(C)Cl Amb9702838 [2,0,0,0,0,0|2,0,0]=4 1432 B5R0.5 CC(=O)C(C)F Amb10841897 [2,0,0,0,0,0|2,0,0]=4 1433 B5R0.5 CC(=O)C(C)I Amb28315734 [2,0,0,0,0,0|2,0,0]=4 1434 B5R0.5 CC(=O)C(C)N Amb17593029 [2,0,0,0,0,0|2,0,0]=4 1435 B5R0.5 CC(=O)C(C)N Amb19148817 [2,0,0,0,0,0|2,0,0]=4 1436 B5R0.5 CC(=O)C(C)O Amb6608962 [2,0,0,0,0,0|1,0,0]=3 1437 B5R0.5 CC(=O)C(C)S Amb8393169 [2,0,0,0,0,0|1,1,0]=4 1438 B5R0.5 CC(=O)C(N)=O Amb17593028 [2,0,0,0,0,0|1,0,1]=4 1439 B5R0.5 CC(=O)C(O)O Amb22436762 [2,0,0,0,0,0|2,0,0]=4 1440 B5R0.5 CC(=O)N(C)O Amb24066817 [2,0,0,0,0,0|2,0,0]=4 1441 B5R0.5 CC(=O)[C@@H](C)N Amb22748924 [2,0,0,0,0,0|2,0,0]=4 1442 B5R0.5 CC(=O)[C@H](C)N Amb26418661 [2,0,0,0,0,0|2,0,0]=4 1443 B5R0.5 CC(=S)C(=O)O Amb27424126 [2,0,0,0,0,0|0,1,1]=4 1444 B5R0.5 CC(Br)C(=O)Br Amb7969424 [2,0,0,0,0,0|2,0,0]=4 1445 B5R0.5 CC(Br)C(=O)Cl Amb6296592 [2,0,0,0,0,0|2,0,0]=4 1446 B5R0.5 CC(Br)C(=O)O Amb2795764 [2,0,0,0,0,0|1,0,0]=3 1447 B5R0.5 CC(Br)C(N)=O Amb2779903 [2,0,0,0,0,0|2,0,0]=4 1448 B5R0.5 CC(C)C(=O)Br Amb22731066 [2,0,0,0,0,0|1,0,1]=4 1449 B5R0.5 CC(C)C(=O)Cl Amb3939052 [2,0,0,0,0,0|1,0,1]=4 1450 B5R0.5 CC(C)C(=O)F Amb25848493 [2,0,0,0,0,0|1,0,1]=4 1451 B5R0.5 CC(C)C(=O)I Amb26992316 [2,0,0,0,0,0|1,0,1]=4 1452 B5R0.5 CC(C)C(=O)O Amb3939822 [2,0,0,0,0,0|0,0,1]=3 1453 B5R0.5 CC(C)C(=O)S Amb33482574 [2,0,0,0,0,0|0,1,1]=4 1454 B5R0.5 CC(C)C(N)=O Amb1153145 [2,0,0,0,0,0|1,0,1]=4 1455 B5R0.5 CC(C)N(=O)O Amb33789630 [2,0,0,0,0,0|1,0,1]=4 1456 B5R0.5 CC(C)S(=O)O Amb27245066 [2,0,0,0,0,0|1,0,1]=4 1457 B5R0.5 CC(Cl)C(=O)Cl Amb9703139 [2,0,0,0,0,0|2,0,0]=4 1458 B5R0.5 CC(Cl)C(=O)F Amb27863699 [2,0,0,0,0,0|2,0,0]=4 1459 B5R0.5 CC(Cl)C(=O)O Amb3940363 [2,0,0,0,0,0|1,0,0]=3 1460 B5R0.5 CC(Cl)C(N)=O Amb9745753 [2,0,0,0,0,0|2,0,0]=4 1461 B5R0.5 CC(Cl)S(=O)O Amb27983761 [2,0,0,0,0,0|2,0,0]=4 1462 B5R0.5 CC(F)C(=O)O Amb10605770 [2,0,0,0,0,0|1,0,0]=3 1463 B5R0.5 CC(F)C(N)=O Amb28248497 [2,0,0,0,0,0|2,0,0]=4 1464 B5R0.5 CC(I)C(=O)O Amb26450528 [2,0,0,0,0,0|1,0,0]=3 1465 B5R0.5 CC(I)C(N)=O Amb25684673 [2,0,0,0,0,0|2,0,0]=4 1466 B5R0.5 CC(N)C(=O)O Amb32724352 [2,0,0,0,0,0|1,0,0]=3 1467 B5R0.5 CC(N)C(=O)O Amb5716847 [2,0,0,0,0,0|1,0,0]=3 1468 B5R0.5 CC(N)C(=O)S Amb27175379 [2,0,0,0,0,0|1,1,0]=4 1469 B5R0.5 CC(N)C(N)=O Amb21958673 [2,0,0,0,0,0|2,0,0]=4 1470 B5R0.5 CC(N)C(N)=O Amb33532935 [2,0,0,0,0,0|2,0,0]=4 1471 B5R0.5 CC(O)C(=N)N Amb22587521 [2,0,0,0,0,0|2,0,0]=4 1472 B5R0.5 CC(O)C(=N)N Amb2696133 [2,0,0,0,0,0|2,0,0]=4 1473 B5R0.5 CC(O)C(=O)O Amb9703100 [2,0,0,0,0,0|0,0,0]=2 1474 B5R0.5 CC(O)C(=O)[O-] Amb3499440 [2,0,0,0,0,0|0,0,1]=3 1475 B5R0.5 CC(O)C(=O)[O-] Amb9787591 [2,0,0,0,0,0|0,0,1]=3 1476 B5R0.5 CC(O)C(C)O Amb8515777 [2,0,0,0,0,0|1,0,1]=4 1477 B5R0.5 CC(O)C(N)=O Amb6394657 [2,0,0,0,0,0|1,0,0]=3 1478 B5R0.5 CC(O)C(N)O Amb28341329 [2,0,0,0,0,0|1,0,1]=4 1479 B5R0.5 CC(O)C(O)[SiH3] Amb27219045 [2,0,0,0,0,0|1,0,1]=4 1480 B5R0.5 CC(S)C(=O)O Amb6608753 [2,0,0,0,0,0|0,1,0]=3 1481 B5R0.5 CN(C)C(=O)O Amb22348477 [2,0,0,0,0,0|1,0,1]=4 1482 B5R0.5 C[C@@H](Br)C(=O)Br Amb27455066 [2,0,0,0,0,0|2,0,0]=4 1483 B5R0.5 C[C@@H](Br)C(=O)Cl Amb26395930 [2,0,0,0,0,0|2,0,0]=4 1484 B5R0.5 C[C@@H](Br)C(=O)O Amb8515030 [2,0,0,0,0,0|1,0,0]=3 1485 B5R0.5 C[C@@H](Cl)C(=O)Cl Amb28140701 [2,0,0,0,0,0|2,0,0]=4 1486 B5R0.5 C[C@@H](Cl)C(=O)O Amb2725594 [2,0,0,0,0,0|1,0,0]=3 1487 B5R0.5 C[C@@H](I)C(=O)O Amb27878762 [2,0,0,0,0,0|1,0,0]=3 1488 B5R0.5 C[C@@H](I)C(N)=O Amb27863419 [2,0,0,0,0,0|2,0,0]=4 1489 B5R0.5 C[C@@H](N)C(=O)O Amb3940457 [2,0,0,0,0,0|1,0,0]=3 1490 B5R0.5 C[C@@H](N)C(N)=O Amb2371905 [2,0,0,0,0,0|2,0,0]=4 1491 B5R0.5 C[C@@H](N)C(N)=O Amb2778751 [2,0,0,0,0,0|2,0,0]=4 1492 B5R0.5 C[C@@H](O)C(=N)N Amb22587056 [2,0,0,0,0,0|2,0,0]=4 1493 B5R0.5 C[C@@H](O)C(=N)N Amb8630521 [2,0,0,0,0,0|2,0,0]=4 1494 B5R0.5 C[C@@H](O)C(=O)Cl Amb28350419 [2,0,0,0,0,0|1,0,0]=3 1495 B5R0.5 C[C@@H](O)C(=O)O Amb6600026 [2,0,0,0,0,0|0,0,0]=2 1496 B5R0.5 C[C@@H](O)C(=O)[O-] Amb22350432 [2,0,0,0,0,0|0,0,1]=3 1497 B5R0.5 C[C@@H](O)C(=O)[O-] Amb8514494 [2,0,0,0,0,0|0,0,1]=3 1498 B5R0.5 C[C@@H](O)C(N)=O Amb3939680 [2,0,0,0,0,0|1,0,0]=3 1499 B5R0.5 C[C@@H](O)[C@@H](C)O Amb8514566 [2,0,0,0,0,0|1,0,1]=4 1500 B5R0.5 C[C@H](Br)C(=O)O Amb8515029 [2,0,0,0,0,0|1,0,0]=3 1501 B5R0.5 C[C@H](Cl)C(=O)Cl Amb24373163 [2,0,0,0,0,0|2,0,0]=4 1502 B5R0.5 C[C@H](Cl)C(=O)F Amb28138044 [2,0,0,0,0,0|2,0,0]=4 1503 B5R0.5 C[C@H](Cl)C(=O)O Amb17776586 [2,0,0,0,0,0|1,0,0]=3 1504 B5R0.5 C[C@H](F)C(=O)O Amb27216697 [2,0,0,0,0,0|1,0,0]=3 1505 B5R0.5 C[C@H](N)C(=O)O Amb33780861 [2,0,0,0,0,0|1,0,0]=3 1506 B5R0.5 C[C@H](N)C(=O)O Amb6298336 [2,0,0,0,0,0|1,0,0]=3 1507 B5R0.5 C[C@H](N)C(=O)S Amb28315892 [2,0,0,0,0,0|1,1,0]=4 1508 B5R0.5 C[C@H](N)C(N)=O Amb20670443 [2,0,0,0,0,0|2,0,0]=4 1509 B5R0.5 C[C@H](N)C(N)=O Amb2371522 [2,0,0,0,0,0|2,0,0]=4 1510 B5R0.5 C[C@H](N)C(N)=O Amb2778752 [2,0,0,0,0,0|2,0,0]=4 1511 B5R0.5 C[C@H](N)C(N)=O Amb33822632 [2,0,0,0,0,0|2,0,0]=4 1512 B5R0.5 C[C@H](O)C(=N)N Amb22587541 [2,0,0,0,0,0|2,0,0]=4 1513 B5R0.5 C[C@H](O)C(=N)N Amb34912477 [2,0,0,0,0,0|2,0,0]=4 1514 B5R0.5 C[C@H](O)C(=O)O Amb8386374 [2,0,0,0,0,0|0,0,0]=2 1515 B5R0.5 C[C@H](O)C(=O)[O-] Amb17772234 [2,0,0,0,0,0|0,0,1]=3 1516 B5R0.5 C[C@H](O)C(=O)[O-] Amb8515200 [2,0,0,0,0,0|0,0,1]=3 1517 B5R0.5 C[C@H](O)C(N)=O Amb3939676 [2,0,0,0,0,0|1,0,0]=3 1518 B5R0.5 C[C@H](O)C(O)O Amb27394850 [2,0,0,0,0,0|0,0,2]=4 1519 B5R0.5 C[C@H](O)[C@H](C)O Amb8393638 [2,0,0,0,0,0|1,0,1]=4 1520 B5R0.5 C[C@H](O)[C@H](N)O Amb28066298 [2,0,0,0,0,0|1,0,1]=4 1521 B5R0.5 C[C@H](S)C(=O)O Amb25147510 [2,0,0,0,0,0|0,1,0]=3 1522 B5R0.5 NC(=O)C(=O)O Amb32666615 [2,0,0,0,0,0|1,0,1]=4 1523 B5R0.5 NC(=O)C(=O)O Amb3940455 [2,0,0,0,0,0|1,0,1]=4 1524 B5R0.5 NC(Br)C(=O)O Amb25724348 [2,0,0,0,0,0|2,0,0]=4 1525 B5R0.5 NC(O)C(=O)O Amb24663706 [2,0,0,0,0,0|1,0,0]=3 1526 B5R0.5 NC(S)C(=O)O Amb27253385 [2,0,0,0,0,0|1,1,0]=4 1527 B5R0.5 N[C@@H](S)C(=O)O Amb27788398 [2,0,0,0,0,0|1,1,0]=4 1528 B5R0.5 O=C(O)C(=O)Br Amb27863598 [2,0,0,0,0,0|1,0,1]=4 1529 B5R0.5 O=C(O)C(=O)O Amb10608980 [2,0,0,0,0,0|1,0,1]=4 1530 B5R0.5 O=C(O)C(=O)O Amb19374136 [2,0,0,0,0,0|1,0,1]=4 1531 B5R0.5 O=C(O)C(=O)O Amb22231343 [2,0,0,0,0,0|1,0,1]=4 1532 B5R0.5 O=C(O)C(=O)O Amb22394874 [2,0,0,0,0,0|1,0,1]=4 1533 B5R0.5 O=C(O)C(=O)O Amb22436461 [2,0,0,0,0,0|1,0,1]=4 1534 B5R0.5 O=C(O)C(=O)O Amb7755827 [2,0,0,0,0,0|1,0,1]=4 1535 B5R0.5 O=C(O)C(=O)O Amb8513282 [2,0,0,0,0,0|1,0,1]=4 1536 B5R0.5 O=C(O)C(Br)I Amb17610018 [2,0,0,0,0,0|2,0,0]=4 1537 B5R0.5 O=C(O)C(Cl)Cl Amb6891960 [2,0,0,0,0,0|2,0,0]=4 1538 B5R0.5 O=C(O)C(Cl)I Amb17610937 [2,0,0,0,0,0|2,0,0]=4 1539 B5R0.5 O=C(O)C(F)Br Amb10841090 [2,0,0,0,0,0|2,0,0]=4 1540 B5R0.5 O=C(O)C(F)Cl Amb10838714 [2,0,0,0,0,0|2,0,0]=4 1541 B5R0.5 O=C(O)C(F)F Amb1953492 [2,0,0,0,0,0|2,0,0]=4 1542 B5R0.5 O=C(O)C(F)I Amb10838458 [2,0,0,0,0,0|2,0,0]=4 1543 B5R0.5 O=C(O)C(I)I Amb17612865 [2,0,0,0,0,0|2,0,0]=4 1544 B5R0.5 O=C(O)C(O)O Amb6608986 [2,0,0,0,0,0|1,0,0]=3 1545 B5R0.5 O=C(O)[C@@H](F)Cl Amb26559563 [2,0,0,0,0,0|2,0,0]=4 1546 B5R0.5 O=C(O)[C@@H](F)I Amb27827825 [2,0,0,0,0,0|2,0,0]=4 1547 B5R0.5 O=C(O)[C@H](F)Br Amb28200717 [2,0,0,0,0,0|2,0,0]=4 1548 B5R0.5 O=C([O-])C(O)O Amb33512886 [2,0,0,0,0,0|1,0,1]=4 1549 B7R0.2 C#CC(=O)CC(C)=O Amb27453576 [1,1,0,0,0,0|2,0,0]=4 1550 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [1,1,0,0,0,0|1,0,1]=4 1551 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [1,1,0,0,0,0|2,0,0]=4 1552 B7R0.2 C=CC(=O)CC(C)=O Amb27470884 [1,1,0,0,0,0|2,0,0]=4 1553 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [1,1,0,0,0,0|1,0,1]=4 1554 B7R0.2 CC(=O)CC(=O)C#N Amb25328629 [1,1,0,0,0,0|2,0,0]=4 1555 B7R0.2 CC(=O)CC(=O)CO Amb28316150 [1,1,0,0,0,0|1,0,0]=3 1556 B7R0.2 CC(=O)C\C(C)=N\O Amb26568890 [1,1,0,0,0,0|2,0,0]=4 1557 B7R0.2 CC(CO)CC(=O)O Amb18198168 [1,1,0,0,0,0|1,0,1]=4 1558 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [1,1,0,0,0,0|1,0,0]=3 1559 B7R0.2 CCC(=O)CC(C)=O Amb9775078 [1,1,0,0,0,0|2,0,0]=4 1560 B7R0.2 CCC(=O)CC(N)=O Amb8384375 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.2 CCC(O)CC(=O)O Amb10844270 [1,1,0,0,0,0|1,0,1]=4 1562 B7R0.2 CCN(O)CC(=O)O Amb28195485 [1,1,0,0,0,0|2,0,0]=4 1563 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [1,1,0,0,0,0|2,0,0]=4 1564 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [1,1,0,0,0,0|1,0,1]=4 1567 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [1,1,0,0,0,0|2,0,0]=4 1568 B7R0.2 CN(CO)CC(=O)O Amb27663224 [1,1,0,0,0,0|2,0,0]=4 1569 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [1,1,0,0,0,0|1,0,0]=3 1570 B7R0.2 CNC(=O)CC(=O)[O-] Amb35747299 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.2 CNC(=O)CC(C)=O Amb6891968 [1,1,0,0,0,0|2,0,0]=4 1572 B7R0.2 COC(=O)CC(=N)N Amb18831173 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.2 COC(=O)CC(=N)N Amb19516886 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.2 COC(=O)CC(=O)Cl Amb3939073 [1,1,0,0,0,0|1,0,0]=3 1575 B7R0.2 COC(=O)CC(=O)O Amb16232032 [1,1,0,0,0,0|0,0,0]=2 1576 B7R0.2 COC(=O)CC(=O)[O-] Amb2780363 [1,1,0,0,0,0|0,0,1]=3 1577 B7R0.2 COC(=O)CC(=O)[O-] Amb34915950 [1,1,0,0,0,0|0,0,1]=3 1578 B7R0.2 COC(=O)CC(C)=O Amb6608655 [1,1,0,0,0,0|1,0,0]=3 1579 B7R0.2 COC(=O)CC(C)O Amb9277785 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.2 COC(=O)CC(N)=O Amb22043417 [1,1,0,0,0,0|1,0,0]=3 1581 B7R0.2 COC(=O)CC(N)=S Amb6254935 [1,1,0,0,0,0|1,1,0]=4 1582 B7R0.2 COC(=O)CN(=O)=O Amb20621013 [1,1,0,0,0,0|1,0,1]=4 1583 B7R0.2 COC(=O)CN(C)O Amb28411029 [1,1,0,0,0,0|2,0,0]=4 1584 B7R0.2 COC(=O)CS(=O)Cl Amb26599559 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.2 COC(=O)CS(=O)[O-] Amb27191884 [1,1,0,0,0,0|1,0,1]=4 1586 B7R0.2 COC(=O)CS(C)=O Amb20626166 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.2 COC(=O)CS(N)=O Amb32720320 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.2 COC(=O)C[C@@H](C)O Amb2725551 [1,1,0,0,0,0|1,0,1]=4 1589 B7R0.2 COC(=O)C[C@H](C)O Amb8397299 [1,1,0,0,0,0|1,0,1]=4 1590 B7R0.2 COC(=O)C[N+](=O)[O-] Amb1101938 [1,1,0,0,0,0|1,0,1]=4 1591 B7R0.2 COC(=S)CC(N)=O Amb27230798 [1,1,0,0,0,0|1,1,0]=4 1592 B7R0.2 COC(C)CC(=O)O Amb4001695 [1,1,0,0,0,0|1,0,1]=4 1593 B7R0.2 CON(C)CC(=O)O Amb8010467 [1,1,0,0,0,0|2,0,0]=4 1594 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [1,1,0,0,0,0|1,0,1]=4 1595 B7R0.2 CO\C(C)=C/C(=O)O Amb2611888 [1,1,0,0,0,0|1,0,1]=4 1596 B7R0.2 CO\C(C)=C\C(=O)O Amb27631657 [1,1,0,0,0,0|1,0,1]=4 1597 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [1,1,0,0,0,0|1,0,1]=4 1598 B7R0.2 C\C(=C/C(=O)O)CO Amb18641871 [1,1,0,0,0,0|1,0,1]=4 1599 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [1,1,0,0,0,0|1,0,0]=3 1600 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [1,1,0,0,0,0|2,0,0]=4 1601 B7R0.2 NC(=O)CC(=O)CCl Amb27797889 [1,1,0,0,0,0|2,0,0]=4 1602 B7R0.2 NC(=O)CC(=O)NO Amb28348925 [1,1,0,0,0,0|1,0,0]=3 1603 B7R0.2 NC(=O)C\C(N)=N/O Amb8559051 [1,1,0,0,0,0|2,0,0]=4 1604 B7R0.2 NC(=O)C\C(N)=N\O Amb577388 [1,1,0,0,0,0|2,0,0]=4 1605 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,1,0,0,0,0|1,0,1]=4 1606 B7R0.2 NCC(=O)C[PH](=O)O Amb27257536 [1,1,0,0,0,0|2,0,0]=4 1607 B7R0.2 NCC(O)CC(=O)O Amb32663899 [1,1,0,0,0,0|1,0,1]=4 1608 B7R0.2 NCC(O)CC(=O)O Amb33544754 [1,1,0,0,0,0|1,0,1]=4 1609 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [1,1,0,0,0,0|1,0,1]=4 1610 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.2 NNC(=O)CC(=O)O Amb25073925 [1,1,0,0,0,0|1,0,0]=3 1613 B7R0.2 NNC(=O)CC(N)=O Amb1980864 [1,1,0,0,0,0|2,0,0]=4 1614 B7R0.2 NNC(=O)CC(N)=O Amb27660515 [1,1,0,0,0,0|2,0,0]=4 1615 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [1,1,0,0,0,0|1,0,1]=4 1616 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [1,1,0,0,0,0|1,0,1]=4 1617 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,1,0,0,0,0|1,0,1]=4 1618 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [1,1,0,0,0,0|1,0,1]=4 1619 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [1,1,0,0,0,0|1,0,0]=3 1620 B7R0.2 O=C(Cl)CC(=O)CCl Amb17593874 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.2 O=C(O)CC(=O)CCl Amb18124484 [1,1,0,0,0,0|1,0,0]=3 1622 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [1,1,0,0,0,0|1,0,1]=4 1623 B7R0.2 O=C(O)CC(O)CF Amb26557587 [1,1,0,0,0,0|1,0,1]=4 1624 B7R0.2 O=C(O)CC(O)CO Amb28120003 [1,1,0,0,0,0|0,0,2]=4 1625 B7R0.2 O=C(O)CC(O)CS Amb27244674 [1,1,0,0,0,0|0,1,1]=4 1626 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [1,1,0,0,0,0|1,0,1]=4 1627 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [1,1,0,0,0,0|1,0,1]=4 1628 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [1,1,0,0,0,0|1,0,1]=4 1629 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [1,1,0,0,0,0|1,0,1]=4 1630 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [1,1,0,0,0,0|0,0,2]=4 1631 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [1,1,0,0,0,0|2,0,0]=4 1632 B7R0.2 O=C(O)\C=C(/Br)CO Amb27424808 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.2 O=C(O)\C=C(\O)CBr Amb28458506 [1,1,0,0,0,0|1,0,1]=4 1634 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [1,1,0,0,0,0|1,0,0]=3 1635 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [1,1,0,0,0,0|1,0,1]=4 1636 B7R0.9 CC(C)(O)CC(=O)O Amb10605560 [1,1,0,0,0,0|1,0,1]=4 1637 B7R0.9 CC(O)(F)CC(=O)O Amb28072926 [1,1,0,0,0,0|1,0,1]=4 1638 B7R0.9 CC(O)(O)CC(=O)O Amb27405076 [1,1,0,0,0,0|0,0,2]=4 1639 B7R0.9 CP(=O)(O)CC(=O)O Amb3371772 [1,1,0,0,0,0|1,0,0]=3 1640 B7R0.9 CP(C)(=O)CC(=O)O Amb25197683 [1,1,0,0,0,0|2,0,0]=4 1641 B7R0.9 CS(=O)(=O)CC(=O)O Amb3939888 [1,1,0,0,0,0|1,0,1]=4 1642 B7R0.9 NC(=O)CS(=O)(=O)O Amb28398406 [1,1,0,0,0,0|2,0,0]=4 1643 B7R0.9 NS(=O)(=O)CC(=O)O Amb6741828 [1,1,0,0,0,0|1,0,1]=4 1644 B7R0.9 O=C(O)CP(=O)(O)O Amb4489433 [1,1,0,0,0,0|1,0,0]=3 1645 B7R0.9 O=C(O)CS(=O)(=O)Cl Amb28428457 [1,1,0,0,0,0|1,0,1]=4 1646 B7R0.9 O=C(O)CS(=O)(=O)F Amb26639922 [1,1,0,0,0,0|1,0,1]=4 1647 B7R0.9 O=C(O)CS(=O)(=O)O Amb16232248 [1,1,0,0,0,0|1,0,0]=3 1648 B7R0.9 O=C(O)C[SH](=O)([O-])O Amb27231739 [1,1,0,0,0,0|1,0,0]=3 1649 B7R0.5 C#CCC(C)C(=O)O Amb18633959 [1,1,0,0,0,0|1,0,1]=4 1650 B7R0.5 C#CC[C@H](C)C(=O)O Amb10844036 [1,1,0,0,0,0|1,0,1]=4 1651 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [1,1,0,0,0,0|1,0,0]=3 1652 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.5 C=CCC(C)C(N)=O Amb27788519 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [1,1,0,0,0,0|2,0,0]=4 1658 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [1,1,0,0,0,0|2,0,0]=4 1659 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [1,1,0,0,0,0|2,0,0]=4 1660 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [1,1,0,0,0,0|2,0,0]=4 1661 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [1,1,0,0,0,0|2,0,0]=4 1662 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [1,1,0,0,0,0|2,0,0]=4 1663 B7R0.5 C=C\C=C(\C)C(=O)O Amb27221069 [1,1,0,0,0,0|1,0,1]=4 1664 B7R0.5 CC#CC(C)C(=O)O Amb22748425 [1,1,0,0,0,0|1,0,1]=4 1665 B7R0.5 CC(=O)C(C)CCO Amb13881368 [1,1,0,0,0,0|1,0,1]=4 1666 B7R0.5 CC(=O)C(C)NC=O Amb23442778 [1,1,0,0,0,0|1,0,0]=3 1667 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [1,1,0,0,0,0|1,0,0]=3 1668 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,1,0,0,0,0|2,0,0]=4 1669 B7R0.5 CC(=O)N(C)CC=O Amb17080668 [1,1,0,0,0,0|2,0,0]=4 1670 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [1,1,0,0,0,0|2,0,0]=4 1671 B7R0.5 CC(=O)\C(C)=C\C=O Amb28208341 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.5 CC(=O)\C(C)=C\CO Amb27472570 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.5 CC(=O)\C(C)=N\C=O Amb28316244 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.5 CC(CC#N)C(=O)O Amb17334056 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,1,0,0,0,0|0,0,0]=2 1676 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.5 CC(CCF)C(=O)O Amb24678386 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.5 CC(CCN)C(=O)O Amb20667970 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.5 CC(CCN)C(=O)O Amb538221 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.5 CC(CCO)C(=O)O Amb18641949 [1,1,0,0,0,0|0,0,1]=3 1681 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [1,1,0,0,0,0|0,0,2]=4 1682 B7R0.5 CC(CCO)C(N)=O Amb28280962 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.5 CC(CNO)C(=O)O Amb28315956 [1,1,0,0,0,0|0,0,1]=3 1684 B7R0.5 CC(CSS)C(=O)O Amb27437183 [1,1,0,0,0,0|0,1,1]=4 1685 B7R0.5 CC(N=C=O)C(=O)Cl Amb27424359 [1,1,0,0,0,0|1,0,1]=4 1686 B7R0.5 CC(N=C=O)C(=O)O Amb33471295 [1,1,0,0,0,0|0,0,1]=3 1687 B7R0.5 CC(N=C=S)C(=O)O Amb25945785 [1,1,0,0,0,0|0,1,1]=4 1688 B7R0.5 CC(N=[N+]=[N-])C(=O)O Amb27202649 [1,1,0,0,0,0|2,0,0]=4 1689 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [1,1,0,0,0,0|0,0,0]=2 1690 B7R0.5 CC(NCO)C(=O)O Amb27468253 [1,1,0,0,0,0|0,0,1]=3 1691 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [1,1,0,0,0,0|0,0,0]=2 1692 B7R0.5 CC(\N=N\O)C(=O)O Amb28251041 [1,1,0,0,0,0|1,0,0]=3 1693 B7R0.5 CCCC(C)C(=O)O Amb3938958 [1,1,0,0,0,0|1,0,1]=4 1694 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [1,1,0,0,0,0|1,0,1]=4 1695 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [1,1,0,0,0,0|1,0,1]=4 1696 B7R0.5 CCNC(C)C(=O)O Amb33527634 [1,1,0,0,0,0|1,0,1]=4 1697 B7R0.5 CCNC(C)C(=O)O Amb9326962 [1,1,0,0,0,0|1,0,1]=4 1698 B7R0.5 CCN[C@@H](C)C(=O)O Amb26579594 [1,1,0,0,0,0|1,0,1]=4 1699 B7R0.5 CCN[C@H](C)C(=O)O Amb24351099 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.5 CCOC(C)C(=O)O Amb9725271 [1,1,0,0,0,0|1,0,1]=4 1701 B7R0.5 CCSC(C)C(=O)O Amb9721554 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.5 CC\C=C(/C)C(=O)O Amb2689584 [1,1,0,0,0,0|1,0,1]=4 1703 B7R0.5 CC\C=C(\C)C(=O)O Amb27233430 [1,1,0,0,0,0|1,0,1]=4 1704 B7R0.5 CNCC(C)C(=O)O Amb13952364 [1,1,0,0,0,0|1,0,1]=4 1705 B7R0.5 CNCC(C)C(=O)O Amb9400281 [1,1,0,0,0,0|1,0,1]=4 1706 B7R0.5 COCC(Br)C(=O)O Amb17594709 [1,1,0,0,0,0|1,0,1]=4 1707 B7R0.5 COCC(C)C(=O)O Amb33545090 [1,1,0,0,0,0|0,0,1]=3 1708 B7R0.5 COCC(C)C(C)=O Amb24683449 [1,1,0,0,0,0|1,0,1]=4 1709 B7R0.5 COCC(C)C(N)=O Amb27401584 [1,1,0,0,0,0|1,0,1]=4 1710 B7R0.5 COCC(Cl)C(=O)O Amb10068384 [1,1,0,0,0,0|1,0,1]=4 1711 B7R0.5 COCC(N)C(=O)O Amb33551350 [1,1,0,0,0,0|1,0,1]=4 1712 B7R0.5 COCC(N)C(=O)O Amb6752055 [1,1,0,0,0,0|1,0,1]=4 1713 B7R0.5 COCC(O)C(=O)O Amb18124273 [1,1,0,0,0,0|1,0,1]=4 1714 B7R0.5 COCC(S)C(=O)O Amb27763656 [1,1,0,0,0,0|1,0,1]=4 1715 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [1,1,0,0,0,0|0,0,1]=3 1716 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [1,1,0,0,0,0|1,0,1]=4 1717 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [1,1,0,0,0,0|1,0,1]=4 1718 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [1,1,0,0,0,0|0,0,1]=3 1719 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [1,1,0,0,0,0|1,0,1]=4 1720 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [1,1,0,0,0,0|1,0,1]=4 1721 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [1,1,0,0,0,0|1,0,1]=4 1722 B7R0.5 CONC(C)C(N)=O Amb27657313 [1,1,0,0,0,0|2,0,0]=4 1723 B7R0.5 CON[C@@H](C)C(=O)O Amb27862116 [1,1,0,0,0,0|1,0,0]=3 1724 B7R0.5 CO\C=C(/C)C(=O)O Amb18641867 [1,1,0,0,0,0|0,0,1]=3 1725 B7R0.5 CO\C=C(/F)C(=O)O Amb28369284 [1,1,0,0,0,0|1,0,1]=4 1726 B7R0.5 CO\C=C(\C)C(C)=O Amb26391054 [1,1,0,0,0,0|1,0,1]=4 1727 B7R0.5 CO\C=C(\F)C(=O)O Amb22641708 [1,1,0,0,0,0|1,0,1]=4 1728 B7R0.5 CO\C=C(\I)C(=O)O Amb27228187 [1,1,0,0,0,0|1,0,1]=4 1729 B7R0.5 CO\C=C(\N)C(=O)O Amb27390812 [1,1,0,0,0,0|1,0,1]=4 1730 B7R0.5 CO\N=C(/C)C(=O)O Amb28203933 [1,1,0,0,0,0|1,0,1]=4 1731 B7R0.5 CSCC(C)C(=O)O Amb18967825 [1,1,0,0,0,0|0,1,1]=4 1732 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [1,1,0,0,0,0|0,1,1]=4 1733 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [1,1,0,0,0,0|1,0,1]=4 1734 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [1,1,0,0,0,0|1,0,1]=4 1735 B7R0.5 C[C@@H](N=C=O)C(=O)O Amb33189209 [1,1,0,0,0,0|0,0,1]=3 1736 B7R0.5 C[C@@H](N=C=S)C(=O)O Amb33471579 [1,1,0,0,0,0|0,1,1]=4 1737 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O Amb28325865 [1,1,0,0,0,0|2,0,0]=4 1738 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O Amb32620194 [1,1,0,0,0,0|2,0,0]=4 1739 B7R0.5 C[C@@H](NC#N)C(=O)O Amb35634494 [1,1,0,0,0,0|1,0,1]=4 1740 B7R0.5 C[C@@H](NC=O)C(N)=O Amb27837549 [1,1,0,0,0,0|1,0,0]=3 1741 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [1,1,0,0,0,0|1,0,1]=4 1742 B7R0.5 C[C@H](N=C=O)C(=O)O Amb33471333 [1,1,0,0,0,0|0,0,1]=3 1743 B7R0.5 C[C@H](N=C=S)C(=O)O Amb33471562 [1,1,0,0,0,0|0,1,1]=4 1744 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O Amb32620189 [1,1,0,0,0,0|2,0,0]=4 1745 B7R0.5 C[C@H](NC#N)C(=O)O Amb30031667 [1,1,0,0,0,0|1,0,1]=4 1746 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [1,1,0,0,0,0|0,0,0]=2 1747 B7R0.5 C[C@H](NCO)C(=O)O Amb24401217 [1,1,0,0,0,0|0,0,1]=3 1748 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,1,0,0,0,0|0,0,1]=3 1749 B7R0.5 C\C(=C/C=O)C(N)=O Amb27838329 [1,1,0,0,0,0|1,0,1]=4 1750 B7R0.5 C\C(=C/CCl)C(=O)O Amb25844891 [1,1,0,0,0,0|1,0,1]=4 1751 B7R0.5 C\C(=C/CN)C(=O)O Amb25845292 [1,1,0,0,0,0|1,0,1]=4 1752 B7R0.5 C\C(=C/CS)C(=O)O Amb28041309 [1,1,0,0,0,0|0,1,1]=4 1753 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,1,0,0,0,0|2,0,0]=4 1754 B7R0.5 C\C=C\C(C)C(C)=O Amb26585088 [1,1,0,0,0,0|2,0,0]=4 1755 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,1,0,0,0,0|2,0,0]=4 1756 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,1,0,0,0,0|2,0,0]=4 1757 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,1,0,0,0,0|2,0,0]=4 1758 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,1,0,0,0,0|2,0,0]=4 1759 B7R0.5 NC(CCO)C(=O)O Amb8514287 [1,1,0,0,0,0|1,0,1]=4 1760 B7R0.5 NC(CNO)C(=O)O Amb4092732 [1,1,0,0,0,0|1,0,1]=4 1761 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [1,1,0,0,0,0|2,0,0]=4 1763 B7R0.5 NOCC(N)C(=O)O Amb24184086 [1,1,0,0,0,0|1,0,1]=4 1764 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [1,1,0,0,0,0|1,0,1]=4 1765 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [1,1,0,0,0,0|2,0,0]=4 1767 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [1,1,0,0,0,0|1,0,0]=3 1768 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [1,1,0,0,0,0|1,0,1]=4 1770 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [1,1,0,0,0,0|1,0,1]=4 1771 B7R0.5 O=C(O)C(O)CCO Amb24689942 [1,1,0,0,0,0|1,0,1]=4 1772 B7R0.5 O=C(O)C(O)CNO Amb27405525 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.5 O=C(O)\C(Br)=C\CO Amb28291530 [1,1,0,0,0,0|1,0,1]=4 1774 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [1,1,0,0,0,0|1,0,1]=4 1775 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [1,1,0,0,0,0|1,0,1]=4 1776 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [1,1,0,0,0,0|1,0,1]=4 1777 B7R0.10 C=CC(Cl)C(=O)OC Amb33548059 [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.10 C=CC(O)C(=O)OC Amb22734006 [1,1,0,0,0,0|2,0,0]=4 1779 B7R0.10 CC(C=O)C(C)CO Amb28048946 [1,1,0,0,0,0|1,0,1]=4 1780 B7R0.10 CC(C=O)C(O)CCl Amb27776790 [1,1,0,0,0,0|1,0,1]=4 1781 B7R0.10 CC(C=O)\C(Cl)=C\Br Amb28051630 [1,1,0,0,0,0|2,0,0]=4 1782 B7R0.10 CC(CN)C(=O)NO Amb27756001 [1,1,0,0,0,0|1,0,1]=4 1783 B7R0.10 CC(CO)C(=O)NN Amb28048504 [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.10 CCC(=O)C(Br)C=O Amb27407783 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.10 CCC(=O)[C@H](C)NO Amb27880702 [1,1,0,0,0,0|2,0,0]=4 1786 B7R0.10 CCC(C)C(=O)CO Amb24680373 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.10 CCC(C)C(=O)NO Amb6275767 [1,1,0,0,0,0|1,0,1]=4 1788 B7R0.10 CCC(O)C(C)C=O Amb17593201 [1,1,0,0,0,0|1,0,1]=4 1789 B7R0.10 CCS(=O)C(C)C=O Amb35647337 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.10 CC[C@H](C)C(=O)OC Amb28145887 [1,1,0,0,0,0|1,0,1]=4 1791 B7R0.10 CNC(=O)N(C)C=O Amb27839124 [1,1,0,0,0,0|2,0,0]=4 1792 B7R0.10 CNC(C)C(=O)NO Amb27207236 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.10 CNC(C)C(=O)OC Amb18299580 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.10 CNC(C)C(=O)OC Amb21961535 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.10 CN[C@@H](C)C(=O)OC Amb22587553 [1,1,0,0,0,0|2,0,0]=4 1796 B7R0.10 CN[C@@H](C)C(=O)OC Amb22745401 [1,1,0,0,0,0|2,0,0]=4 1797 B7R0.10 CN[C@H](C)C(=O)OC Amb22587562 [1,1,0,0,0,0|2,0,0]=4 1798 B7R0.10 CN[C@H](C)C(=O)OC Amb34153346 [1,1,0,0,0,0|2,0,0]=4 1799 B7R0.10 COC(=O)C(Br)C=O Amb28385653 [1,1,0,0,0,0|1,0,0]=3 1800 B7R0.10 COC(=O)C(Br)CO Amb22491520 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.10 COC(=O)C(C)C#N Amb17210509 [1,1,0,0,0,0|1,0,1]=4 1802 B7R0.10 COC(=O)C(C)C=O Amb18641861 [1,1,0,0,0,0|0,0,0]=2 1803 B7R0.10 COC(=O)C(C)CBr Amb23440928 [1,1,0,0,0,0|1,0,1]=4 1804 B7R0.10 COC(=O)C(C)CCl Amb25890022 [1,1,0,0,0,0|1,0,1]=4 1805 B7R0.10 COC(=O)C(C)CF Amb27205725 [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.10 COC(=O)C(C)CN Amb13952562 [1,1,0,0,0,0|1,0,1]=4 1807 B7R0.10 COC(=O)C(C)CN Amb9400287 [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.10 COC(=O)C(C)CO Amb9277786 [1,1,0,0,0,0|0,0,1]=3 1809 B7R0.10 COC(=O)C(C)CS Amb17673607 [1,1,0,0,0,0|0,1,1]=4 1810 B7R0.10 COC(=O)C(C)NO Amb28249757 [1,1,0,0,0,0|1,0,0]=3 1811 B7R0.10 COC(=O)C(C)ON Amb28194398 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.10 COC(=O)C(C)ON Amb33483516 [1,1,0,0,0,0|2,0,0]=4 1813 B7R0.10 COC(=O)C(C)SC Amb22043309 [1,1,0,0,0,0|2,0,0]=4 1814 B7R0.10 COC(=O)C(Cl)C=O Amb17621536 [1,1,0,0,0,0|1,0,0]=3 1815 B7R0.10 COC(=O)C(Cl)CO Amb10605503 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.10 COC(=O)C(F)CO Amb22235114 [1,1,0,0,0,0|1,0,1]=4 1817 B7R0.10 COC(=O)C(N)CO Amb22489451 [1,1,0,0,0,0|1,0,1]=4 1818 B7R0.10 COC(=O)C(N)CO Amb2720272 [1,1,0,0,0,0|1,0,1]=4 1819 B7R0.10 COC(=O)C(N)CO Amb9785055 [1,1,0,0,0,0|1,0,1]=4 1820 B7R0.10 COC(=O)C(O)C=O Amb27468135 [1,1,0,0,0,0|1,0,0]=3 1821 B7R0.10 COC(=O)C(O)CO Amb28435920 [1,1,0,0,0,0|1,0,1]=4 1822 B7R0.10 COC(=O)[C@@H](C)C=O Amb25107069 [1,1,0,0,0,0|0,0,0]=2 1823 B7R0.10 COC(=O)[C@@H](C)CBr Amb22225306 [1,1,0,0,0,0|1,0,1]=4 1824 B7R0.10 COC(=O)[C@@H](C)CI Amb23437667 [1,1,0,0,0,0|1,0,1]=4 1825 B7R0.10 COC(=O)[C@@H](C)CN Amb27391189 [1,1,0,0,0,0|1,0,1]=4 1826 B7R0.10 COC(=O)[C@@H](C)CN Amb35788514 [1,1,0,0,0,0|1,0,1]=4 1827 B7R0.10 COC(=O)[C@@H](C)CO Amb17615445 [1,1,0,0,0,0|0,0,1]=3 1828 B7R0.10 COC(=O)[C@@H](C)NN Amb24117928 [1,1,0,0,0,0|2,0,0]=4 1829 B7R0.10 COC(=O)[C@@H](C)OC Amb27218042 [1,1,0,0,0,0|2,0,0]=4 1830 B7R0.10 COC(=O)[C@@H](C)ON Amb27763250 [1,1,0,0,0,0|2,0,0]=4 1831 B7R0.10 COC(=O)[C@@H](C)ON Amb33620849 [1,1,0,0,0,0|2,0,0]=4 1832 B7R0.10 COC(=O)[C@@H](N)CO Amb3941539 [1,1,0,0,0,0|1,0,1]=4 1833 B7R0.10 COC(=O)[C@@H](N)CO Amb8513312 [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.10 COC(=O)[C@@H](O)CO Amb22226736 [1,1,0,0,0,0|1,0,1]=4 1835 B7R0.10 COC(=O)[C@H](C)C=O Amb25889345 [1,1,0,0,0,0|0,0,0]=2 1836 B7R0.10 COC(=O)[C@H](C)CBr Amb10844721 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.10 COC(=O)[C@H](C)CO Amb17615446 [1,1,0,0,0,0|0,0,1]=3 1838 B7R0.10 COC(=O)[C@H](C)OC Amb28316057 [1,1,0,0,0,0|2,0,0]=4 1839 B7R0.10 COC(=O)[C@H](C)ON Amb24439736 [1,1,0,0,0,0|2,0,0]=4 1840 B7R0.10 COC(=O)[C@H](C)ON Amb33620848 [1,1,0,0,0,0|2,0,0]=4 1841 B7R0.10 COC(=O)[C@H](N)CO Amb3939987 [1,1,0,0,0,0|1,0,1]=4 1842 B7R0.10 COC(=O)[C@H](N)CO Amb8390418 [1,1,0,0,0,0|1,0,1]=4 1843 B7R0.10 COC(=O)[C@H](O)CO Amb8471066 [1,1,0,0,0,0|1,0,1]=4 1844 B7R0.10 COC(=O)\C(C)=C/Br Amb33249840 [1,1,0,0,0,0|1,0,1]=4 1845 B7R0.10 COC(=O)\C(C)=C\Br Amb26330519 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.10 COC(=O)\C(C)=N/O Amb25889365 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.10 COC(=O)\C(C)=N\O Amb28053741 [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.10 C\C(=N\O)C(=O)CO Amb28249683 [1,1,0,0,0,0|1,0,1]=4 1849 B7R0.10 C\C(C=O)=C(\C)C=O Amb27434822 [1,1,0,0,0,0|1,0,1]=4 1850 B7R0.10 C\C=C(/C)C(=O)OC Amb6296120 [1,1,0,0,0,0|1,0,1]=4 1851 B7R0.10 C\C=C(\C)C(=O)OC Amb19930194 [1,1,0,0,0,0|1,0,1]=4 1852 B7R0.10 NC(CO)C(=O)NO Amb22352399 [1,1,0,0,0,0|1,0,1]=4 1853 B7R0.10 N[C@@H](CO)C(=O)NO Amb28203960 [1,1,0,0,0,0|1,0,1]=4 1854 B7R0.10 N[C@@H](CO)C(=O)OCl Amb27838316 [1,1,0,0,0,0|1,0,1]=4 1855 B7R0.10 O=C(CO)C(O)CO Amb27955920 [1,1,0,0,0,0|1,0,1]=4 1856 B7R0.10 O=C(CO)[C@H](O)CO Amb24628483 [1,1,0,0,0,0|1,0,1]=4 1857 B7R0.10 O=CC(=O)C(Br)C=O Amb28285097 [1,1,0,0,0,0|1,0,1]=4 1858 B7R0.10 O=CC(O)C(O)C=O Amb26319267 [1,1,0,0,0,0|1,0,1]=4 1859 B7R0.10 [C-]#[N+]C(C)C(=O)OC Amb2688983 [1,1,0,0,0,0|2,0,0]=4 1860 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC Amb25175826 [1,1,0,0,0,0|2,0,0]=4 1861 B7R0.10 [C-]#[N+][C@H](C)C(=O)OC Amb33733575 [1,1,0,0,0,0|2,0,0]=4 1862 B7R0.13 C#CC(C)(C)C(=O)O Amb5720022 [1,1,0,0,0,0|1,0,1]=4 1863 B7R0.13 C#CC(C)(N)C(=O)O Amb23504061 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.13 C#C[C@@](C)(Cl)C(=O)O Amb27246275 [1,1,0,0,0,0|1,0,1]=4 1865 B7R0.13 C#C[C@](C)(N)C(=O)O Amb24406693 [1,1,0,0,0,0|1,0,1]=4 1866 B7R0.13 C#C[C@](C)(O)C(=O)O Amb27949299 [1,1,0,0,0,0|1,0,1]=4 1867 B7R0.13 C=C(C)C(C)(C)C=O Amb17593157 [1,1,0,0,0,0|2,0,0]=4 1868 B7R0.13 C=CC(C)(C)C(=O)O Amb3994191 [1,1,0,0,0,0|1,0,0]=3 1869 B7R0.13 C=CC(C)(C)C(C)=O Amb17593169 [1,1,0,0,0,0|2,0,0]=4 1870 B7R0.13 C=CC(C)(N)C(=O)O Amb18641826 [1,1,0,0,0,0|1,0,0]=3 1871 B7R0.13 C=CC(C)(O)C(=O)O Amb8388580 [1,1,0,0,0,0|1,0,0]=3 1872 B7R0.13 C=CC(F)(F)C(=O)O Amb27815269 [1,1,0,0,0,0|2,0,0]=4 1873 B7R0.13 C=C[C@@](C)(N)C(=O)O Amb25970753 [1,1,0,0,0,0|1,0,0]=3 1874 B7R0.13 CC(=O)C(C)(Br)C=O Amb27257818 [1,1,0,0,0,0|1,0,0]=3 1875 B7R0.13 CC(=O)C(C)(C)CO Amb24691506 [1,1,0,0,0,0|1,0,1]=4 1876 B7R0.13 CC(=O)C(C)(C)NO Amb25322857 [1,1,0,0,0,0|2,0,0]=4 1877 B7R0.13 CC(=O)C(C)(O)C=O Amb28070984 [1,1,0,0,0,0|1,0,0]=3 1878 B7R0.13 CC(=O)C(C)(O)CO Amb27471773 [1,1,0,0,0,0|1,0,1]=4 1879 B7R0.13 CC(=O)C(C)(O)N=O Amb28253695 [1,1,0,0,0,0|2,0,0]=4 1880 B7R0.13 CC(=O)[C@](C)(O)CO Amb28195327 [1,1,0,0,0,0|1,0,1]=4 1881 B7R0.13 CC(Br)(CBr)C(=O)O Amb9703187 [1,1,0,0,0,0|1,0,1]=4 1882 B7R0.13 CC(Br)(CCl)C(=O)O Amb28282621 [1,1,0,0,0,0|1,0,1]=4 1883 B7R0.13 CC(Br)(CO)C(N)=O Amb27657597 [1,1,0,0,0,0|1,0,1]=4 1884 B7R0.13 CC(C)(C#N)C(=O)O Amb9677775 [1,1,0,0,0,0|1,0,1]=4 1885 B7R0.13 CC(C)(C=O)C(=O)O Amb25260968 [1,1,0,0,0,0|0,0,0]=2 1886 B7R0.13 CC(C)(CBr)C(=O)O Amb2613668 [1,1,0,0,0,0|1,0,1]=4 1887 B7R0.13 CC(C)(CCl)C(=O)O Amb3940361 [1,1,0,0,0,0|1,0,1]=4 1888 B7R0.13 CC(C)(CF)C(=O)O Amb22000679 [1,1,0,0,0,0|1,0,1]=4 1889 B7R0.13 CC(C)(CN)C(=O)O Amb22371031 [1,1,0,0,0,0|1,0,1]=4 1890 B7R0.13 CC(C)(CN)C(=O)O Amb8396020 [1,1,0,0,0,0|1,0,1]=4 1891 B7R0.13 CC(C)(CO)C(=O)O Amb2613656 [1,1,0,0,0,0|0,0,1]=3 1892 B7R0.13 CC(C)(NO)C(N)=O Amb27637542 [1,1,0,0,0,0|2,0,0]=4 1893 B7R0.13 CC(C)(ON)C(=O)O Amb18641969 [1,1,0,0,0,0|2,0,0]=4 1894 B7R0.13 CC(C)(ON)C(=O)O Amb8390774 [1,1,0,0,0,0|2,0,0]=4 1895 B7R0.13 CC(C)(O[NH3+])C(=O)O Amb22167603 [1,1,0,0,0,0|2,0,0]=4 1896 B7R0.13 CC(F)(CBr)C(=O)O Amb28121309 [1,1,0,0,0,0|1,0,1]=4 1897 B7R0.13 CC(F)(CN)C(=O)O Amb27794896 [1,1,0,0,0,0|1,0,1]=4 1898 B7R0.13 CC(N)(CF)C(=O)O Amb27435532 [1,1,0,0,0,0|1,0,1]=4 1899 B7R0.13 CC(N)(CN)C(=O)O Amb25310586 [1,1,0,0,0,0|1,0,1]=4 1900 B7R0.13 CC(N)(CN)C(=O)O Amb33550422 [1,1,0,0,0,0|1,0,1]=4 1901 B7R0.13 CC(N)(CO)C(=O)O Amb2780027 [1,1,0,0,0,0|0,0,1]=3 1902 B7R0.13 CC(N)(CO)C(=O)O Amb28934875 [1,1,0,0,0,0|0,0,1]=3 1903 B7R0.13 CC(N)(CO)C(N)=O Amb28381837 [1,1,0,0,0,0|1,0,1]=4 1904 B7R0.13 CC(N)(CS)C(=O)O Amb18124446 [1,1,0,0,0,0|0,1,1]=4 1905 B7R0.13 CC(N)(CS)C(=O)O Amb24480151 [1,1,0,0,0,0|0,1,1]=4 1906 B7R0.13 CC(O)(CBr)C(=O)O Amb18522184 [1,1,0,0,0,0|1,0,1]=4 1907 B7R0.13 CC(O)(CCl)C(=O)O Amb26497884 [1,1,0,0,0,0|1,0,1]=4 1908 B7R0.13 CC(O)(CO)C(=O)O Amb33544570 [1,1,0,0,0,0|0,0,1]=3 1909 B7R0.13 CCC(C)(Br)C(=O)O Amb22228657 [1,1,0,0,0,0|1,0,1]=4 1910 B7R0.13 CCC(C)(C)C(=O)O Amb4605833 [1,1,0,0,0,0|1,0,1]=4 1911 B7R0.13 CCC(C)(Cl)C(=O)O Amb25730682 [1,1,0,0,0,0|1,0,1]=4 1912 B7R0.13 CCC(C)(N)C(=O)O Amb28934789 [1,1,0,0,0,0|1,0,1]=4 1913 B7R0.13 CCC(C)(N)C(=O)O Amb9728371 [1,1,0,0,0,0|1,0,1]=4 1914 B7R0.13 CCC(C)(O)C(=O)O Amb2609046 [1,1,0,0,0,0|1,0,1]=4 1915 B7R0.13 CC[C@@](C)(Cl)C(=O)O Amb27391076 [1,1,0,0,0,0|1,0,1]=4 1916 B7R0.13 CC[C@@](C)(N)C(=O)O Amb8515205 [1,1,0,0,0,0|1,0,1]=4 1917 B7R0.13 CC[C@](C)(N)C(=O)O Amb16183896 [1,1,0,0,0,0|1,0,1]=4 1918 B7R0.13 CC[C@](C)(N)C(=O)O Amb33871585 [1,1,0,0,0,0|1,0,1]=4 1919 B7R0.13 CNC(C)(C)C(=O)O Amb30625191 [1,1,0,0,0,0|2,0,0]=4 1920 B7R0.13 CNC(C)(C)C(=O)O Amb4037017 [1,1,0,0,0,0|2,0,0]=4 1921 B7R0.13 COC(C)(C)C(=O)O Amb7089070 [1,1,0,0,0,0|2,0,0]=4 1922 B7R0.13 CSC(C)(C)C(=O)O Amb17501488 [1,1,0,0,0,0|2,0,0]=4 1923 B7R0.13 C[C@@](F)(CN)C(=O)O Amb27880722 [1,1,0,0,0,0|1,0,1]=4 1924 B7R0.13 C[C@@](N)(CO)C(=O)O Amb8515082 [1,1,0,0,0,0|0,0,1]=3 1925 B7R0.13 C[C@@](N)(CS)C(=O)O Amb16183893 [1,1,0,0,0,0|0,1,1]=4 1926 B7R0.13 C[C@@](N)(CS)C(=O)O Amb22757501 [1,1,0,0,0,0|0,1,1]=4 1927 B7R0.13 C[C@@](O)(CBr)C(=O)O Amb17610012 [1,1,0,0,0,0|1,0,1]=4 1928 B7R0.13 C[C@](N)(CN)C(=O)O Amb25690446 [1,1,0,0,0,0|1,0,1]=4 1929 B7R0.13 C[C@](N)(CO)C(=O)O Amb8515081 [1,1,0,0,0,0|0,0,1]=3 1930 B7R0.13 C[C@](O)(CBr)C(=O)O Amb22224875 [1,1,0,0,0,0|1,0,1]=4 1931 B7R0.13 C[C@](O)(CN)C(=O)O Amb27440648 [1,1,0,0,0,0|1,0,1]=4 1932 B7R0.13 C[C@](S)(CN)C(=O)O Amb27489167 [1,1,0,0,0,0|1,0,1]=4 1933 B7R0.13 O=C(O)C(Cl)(Cl)CO Amb27409099 [1,1,0,0,0,0|1,0,1]=4 1934 B7R0.13 O=C(O)C(F)(F)CO Amb17593305 [1,1,0,0,0,0|1,0,1]=4 1935 B7R0.14 CC(C=O)C(C)(C)O Amb28255749 [1,1,0,0,0,0|1,0,1]=4 1936 B7R0.15 C=CC(C=C)C(=O)O Amb27663214 [1,1,0,0,0,0|1,0,1]=4 1937 B7R0.15 C=CC(CC)C(=O)O Amb28119400 [1,1,0,0,0,0|1,0,0]=3 1938 B7R0.15 C=CC(CC)C(C)=O Amb28315864 [1,1,0,0,0,0|2,0,0]=4 1939 B7R0.15 CC(=O)C(CO)CO Amb22904340 [1,1,0,0,0,0|1,0,1]=4 1940 B7R0.15 CC(=O)\C(=C\O)CBr Amb27165668 [1,1,0,0,0,0|1,0,1]=4 1941 B7R0.15 CCC(C#N)C(=O)O Amb17210513 [1,1,0,0,0,0|1,0,1]=4 1942 B7R0.15 CCC(C=O)C(=O)O Amb28410235 [1,1,0,0,0,0|0,0,0]=2 1943 B7R0.15 CCC(CC)C(=O)O Amb4605826 [1,1,0,0,0,0|1,0,1]=4 1944 B7R0.15 CCC(CCl)C(=O)O Amb27424156 [1,1,0,0,0,0|1,0,1]=4 1945 B7R0.15 CCC(CF)C(=O)O Amb27625346 [1,1,0,0,0,0|1,0,1]=4 1946 B7R0.15 CCC(CN)C(=O)O Amb18987934 [1,1,0,0,0,0|1,0,1]=4 1947 B7R0.15 CCC(CN)C(=O)O Amb19514932 [1,1,0,0,0,0|1,0,1]=4 1948 B7R0.15 CCC(CO)C(=O)O Amb18641947 [1,1,0,0,0,0|0,0,1]=3 1949 B7R0.15 CCC(CO)C(=O)[O-] Amb28934895 [1,1,0,0,0,0|0,0,2]=4 1950 B7R0.15 CCC(CO)C(N)=O Amb28314312 [1,1,0,0,0,0|1,0,1]=4 1951 B7R0.15 CCC(NC)C(=O)O Amb10610245 [1,1,0,0,0,0|1,0,1]=4 1952 B7R0.15 CCC(NC)C(=O)O Amb9619833 [1,1,0,0,0,0|1,0,1]=4 1953 B7R0.15 CCC(NCl)C(=O)O Amb28387574 [1,1,0,0,0,0|2,0,0]=4 1954 B7R0.15 CCC(NN)C(=O)O Amb18641955 [1,1,0,0,0,0|2,0,0]=4 1955 B7R0.15 CCC(NO)C(=O)O Amb4019788 [1,1,0,0,0,0|1,0,0]=3 1956 B7R0.15 CCC(OC)C(=O)O Amb8472685 [1,1,0,0,0,0|1,0,1]=4 1957 B7R0.15 CCC(SC)C(=O)O Amb17501348 [1,1,0,0,0,0|1,0,1]=4 1958 B7R0.15 CC[C@@H](CN)C(=O)O Amb27838297 [1,1,0,0,0,0|1,0,1]=4 1959 B7R0.15 CC[C@@H](CO)C(=O)O Amb22745321 [1,1,0,0,0,0|0,0,1]=3 1960 B7R0.15 CC[C@@H](NC)C(=O)O Amb28315876 [1,1,0,0,0,0|1,0,1]=4 1961 B7R0.15 CC[C@H](CN)C(=O)O Amb25790771 [1,1,0,0,0,0|1,0,1]=4 1962 B7R0.15 CC[C@H](CO)C(=O)O Amb16232065 [1,1,0,0,0,0|0,0,1]=3 1963 B7R0.15 CC[C@H](NC)C(=O)O Amb24505225 [1,1,0,0,0,0|1,0,1]=4 1964 B7R0.15 CC[C@H](NCl)C(=O)O Amb28193501 [1,1,0,0,0,0|2,0,0]=4 1965 B7R0.15 CC[C@H](NN)C(=O)O Amb28289412 [1,1,0,0,0,0|2,0,0]=4 1966 B7R0.15 CNC(CN)C(=O)O Amb23515020 [1,1,0,0,0,0|1,0,1]=4 1967 B7R0.15 CNC(CN)C(=O)O Amb28934876 [1,1,0,0,0,0|1,0,1]=4 1968 B7R0.15 CNC(CO)C(=O)O Amb26068513 [1,1,0,0,0,0|0,0,1]=3 1969 B7R0.15 CNC(CO)C(N)=O Amb18641957 [1,1,0,0,0,0|1,0,1]=4 1970 B7R0.15 CNC(CS)C(=O)O Amb2781760 [1,1,0,0,0,0|0,1,1]=4 1971 B7R0.15 CN[C@@H](CO)C(=O)O Amb16183860 [1,1,0,0,0,0|0,0,1]=3 1972 B7R0.15 CN[C@@H](CO)C(C)=O Amb26476298 [1,1,0,0,0,0|1,0,1]=4 1973 B7R0.15 CN[C@@H](CS)C(=O)O Amb27630049 [1,1,0,0,0,0|0,1,1]=4 1974 B7R0.15 CN[C@@H](CS)C(=O)O Amb33875997 [1,1,0,0,0,0|0,1,1]=4 1975 B7R0.15 CN[C@H](CO)C(=O)O Amb26948665 [1,1,0,0,0,0|0,0,1]=3 1976 B7R0.15 COC(CN)C(=O)O Amb22059584 [1,1,0,0,0,0|1,0,1]=4 1977 B7R0.15 COC(CN)C(=O)O Amb24271092 [1,1,0,0,0,0|1,0,1]=4 1978 B7R0.15 COC(OC)C(=O)O Amb26446254 [1,1,0,0,0,0|2,0,0]=4 1979 B7R0.15 CON(C=O)C(N)=O Amb27838331 [1,1,0,0,0,0|2,0,0]=4 1980 B7R0.15 CO[C@@H](CN)C(=O)O Amb32679591 [1,1,0,0,0,0|1,0,1]=4 1981 B7R0.15 CO[C@@H](CN)C(=O)O Amb32679853 [1,1,0,0,0,0|1,0,1]=4 1982 B7R0.15 CO[C@@H](CO)C(=O)O Amb27409917 [1,1,0,0,0,0|0,0,1]=3 1983 B7R0.15 CSC(C=O)C(=O)O Amb27399075 [1,1,0,0,0,0|0,0,0]=2 1984 B7R0.15 CSC(CCl)C(=O)O Amb24526774 [1,1,0,0,0,0|1,0,1]=4 1985 B7R0.15 CSC(CN)C(=O)O Amb28346880 [1,1,0,0,0,0|1,0,1]=4 1986 B7R0.15 CSC(SC)C(=O)O Amb28245282 [1,1,0,0,0,0|2,0,0]=4 1987 B7R0.15 CS\C(=C\O)C(C)=O Amb27974462 [1,1,0,0,0,0|1,0,1]=4 1988 B7R0.15 C\C(O)=C(/C=O)CBr Amb27215400 [1,1,0,0,0,0|1,0,1]=4 1989 B7R0.15 C\C=C(/CBr)C(=O)O Amb18128301 [1,1,0,0,0,0|1,0,1]=4 1990 B7R0.15 C\C=C(/CC)C(=O)O Amb18641780 [1,1,0,0,0,0|1,0,1]=4 1991 B7R0.15 C\C=C(\CO)C(=O)O Amb25306747 [1,1,0,0,0,0|0,0,2]=4 1992 B7R0.15 N#CC(C=O)C(N)=O Amb27839524 [1,1,0,0,0,0|1,0,1]=4 1993 B7R0.15 N#CC(CO)C(=O)O Amb27246245 [1,1,0,0,0,0|0,0,2]=4 1994 B7R0.15 NCC(CF)C(=O)O Amb26995116 [1,1,0,0,0,0|1,0,1]=4 1995 B7R0.15 NC[C@H](CO)C(=O)O Amb26873333 [1,1,0,0,0,0|0,0,1]=3 1996 B7R0.15 NNC(CO)C(=O)O Amb27595622 [1,1,0,0,0,0|1,0,1]=4 1997 B7R0.15 NNC(CS)C(=O)O Amb24117863 [1,1,0,0,0,0|2,0,0]=4 1998 B7R0.15 NNC(CS)C(=O)O Amb27834344 [1,1,0,0,0,0|2,0,0]=4 1999 B7R0.15 NOC(CO)C(=O)O Amb27173883 [1,1,0,0,0,0|1,0,1]=4 2000 B7R0.15 O=C(O)C(CBr)CBr Amb2778682 [1,1,0,0,0,0|1,0,1]=4 2001 B7R0.15 O=C(O)C(CI)CI Amb17779784 [1,1,0,0,0,0|1,0,1]=4 2002 B7R0.15 O=C(O)C(CO)NCl Amb28120918 [1,1,0,0,0,0|1,0,1]=4 2003 B7R0.15 O=C(O)C(CS)CS Amb26600542 [1,1,0,0,0,0|0,1,1]=4 2004 B7R0.15 O=C(O)[C@H](CS)NS Amb27750416 [1,1,0,0,0,0|1,1,0]=4 2005 B9R0.10 CC(=O)NC(C)P(=O)(O)O Amb27229951 [0,1,0,0,0,1|2,0,0]=4 2006 B9R0.10 CC(CC(=O)O)C(C)(C)O Amb27815005 [0,1,0,0,0,1|1,0,1]=4 2007 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [0,1,0,0,0,1|1,0,0]=3 2008 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,1,0,0,0,1|2,0,0]=4 2009 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [0,1,0,0,0,1|1,0,0]=3 2010 B9R0.10 C\C(=C/C(=O)O)P(=O)(O)O Amb26337973 [0,1,0,0,0,1|1,0,1]=4 2011 B9R0.10 C\C(=C/C(=O)O)S(=O)(=O)O Amb27634440 [0,1,0,0,0,1|1,0,1]=4 2012 B9R0.11 C=C(Br)CC(C)(C)C(=O)O Amb25887722 [0,1,0,0,0,1|2,0,0]=4 2013 B9R0.11 C=C(C)C(C)(C)CC(=O)O Amb25703730 [0,1,0,0,0,1|2,0,0]=4 2014 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,1,0,0,0,1|2,0,0]=4 2015 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,1,0,0,0,1|2,0,0]=4 2016 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,1,0,0,0,1|2,0,0]=4 2017 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,1,0,0,0,1|2,0,0]=4 2018 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,1,0,0,0,1|2,0,0]=4 2019 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,1,0,0,0,1|2,0,0]=4 2020 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,1,0,0,0,1|2,0,0]=4 2021 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,1,0,0,0,1|1,0,0]=3 2022 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,1,0,0,0,1|2,0,0]=4 2023 B9R0.11 CC(=O)C(C)(C)OC(N)=O Amb27215760 [0,1,0,0,0,1|2,0,0]=4 2024 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,1,0,0,0,1|1,0,0]=3 2025 B9R0.11 CC(=O)CC(C)(C)C(=O)S Amb28201149 [0,1,0,0,0,1|1,1,0]=4 2026 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,1,0,0,0,1|1,0,0]=3 2027 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,1,0,0,0,1|1,0,0]=3 2028 B9R0.11 CC(=O)NC(C)(C)C(=O)O Amb13952726 [0,1,0,0,0,1|1,0,0]=3 2029 B9R0.11 CC(=O)NC(C)(C)C(C)=O Amb27798335 [0,1,0,0,0,1|2,0,0]=4 2030 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,1,0,0,0,1|1,0,0]=3 2031 B9R0.11 CC(=O)OC(C)(C)C(=O)Br Amb8384982 [0,1,0,0,0,1|2,0,0]=4 2032 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl Amb3939171 [0,1,0,0,0,1|2,0,0]=4 2033 B9R0.11 CC(=O)OC(C)(C)C(=O)O Amb18644243 [0,1,0,0,0,1|1,0,0]=3 2034 B9R0.11 CC(=O)OC(C)(C)C(C)=O Amb8394371 [0,1,0,0,0,1|2,0,0]=4 2035 B9R0.11 CC(=O)SC(C)(C)C(=O)O Amb17607677 [0,1,0,0,0,1|1,0,0]=3 2036 B9R0.11 CC(=O)SC(F)(F)C(=O)O Amb27252817 [0,1,0,0,0,1|2,0,0]=4 2037 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,1,0,0,0,1|1,0,0]=3 2038 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,1,0,0,0,1|0,0,0]=2 2039 B9R0.11 CC(C)(CC(=O)O)C(N)=S Amb17466449 [0,1,0,0,0,1|1,1,0]=4 2040 B9R0.11 CC(C)(CC(N)=S)C(=O)O Amb27614963 [0,1,0,0,0,1|1,1,0]=4 2041 B9R0.11 CC(C)(NC(N)=O)C(=O)O Amb9825347 [0,1,0,0,0,1|1,0,0]=3 2042 B9R0.11 CC(C)(O[N+](=O)[O-])C(=O)O Amb22490347 [0,1,0,0,0,1|1,0,1]=4 2043 B9R0.11 CC(C)(O[PH](=O)O)C(N)=O Amb27592150 [0,1,0,0,0,1|2,0,0]=4 2044 B9R0.11 CC(C)=CC(C)(C)C(=O)O Amb27162610 [0,1,0,0,0,1|2,0,0]=4 2045 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,1,0,0,0,1|0,0,0]=2 2046 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [0,1,0,0,0,1|1,0,0]=3 2047 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,1,0,0,0,1|0,0,0]=2 2048 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,1,0,0,0,1|1,0,0]=3 2049 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,1,0,0,0,1|1,0,0]=3 2050 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,1,0,0,0,1|0,0,0]=2 2051 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,1,0,0,0,1|1,0,1]=4 2052 B9R0.11 CN(O)C(C)(C)CC(=O)O Amb30025601 [0,1,0,0,0,1|2,0,0]=4 2053 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [0,1,0,0,0,1|2,0,0]=4 2054 B9R0.11 CS(=O)C(C)(C)CC(=O)O Amb28128345 [0,1,0,0,0,1|2,0,0]=4 2055 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,1,0,0,0,1|2,0,0]=4 2056 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,1,0,0,0,1|2,0,0]=4 2057 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,1,0,0,0,1|1,0,0]=3 2058 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,1,0,0,0,1|0,0,0]=2 2059 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,1,0,0,0,1|1,0,0]=3 2060 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,1,0,0,0,1|0,0,0]=2 2061 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,1,0,0,0,1|2,0,0]=4 2062 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,1,0,0,0,1|2,0,0]=4 2063 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,1,0,0,0,1|1,0,0]=3 2064 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,1,0,0,0,1|1,0,0]=3 2065 B9R0.23 C=C(C)CC(C)C(=O)OC Amb27857780 [0,1,0,0,0,1|2,0,0]=4 2066 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [0,1,0,0,0,1|0,0,2]=4 2067 B9R0.23 C=CC(=O)N(C)CC(=O)O Amb6267159 [0,1,0,0,0,1|2,0,0]=4 2068 B9R0.23 CC(=O)NC(C)C(=O)NN Amb8998040 [0,1,0,0,0,1|2,0,0]=4 2069 B9R0.23 CC(=O)NC(C)\C(N)=N\O Amb28126933 [0,1,0,0,0,1|2,0,0]=4 2070 B9R0.23 CC(=O)OC(C)C(=O)C=O Amb27852090 [0,1,0,0,0,1|1,0,1]=4 2071 B9R0.23 CC(=O)OC(C)C(=O)NN Amb27769604 [0,1,0,0,0,1|2,0,0]=4 2072 B9R0.23 CC(=O)O[C@@H](C)[C@H](O)C=O Amb27194323 [0,1,0,0,0,1|1,0,1]=4 2073 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [0,1,0,0,0,1|1,0,1]=4 2074 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [0,1,0,0,0,1|1,0,1]=4 2075 B9R0.23 CCC(=O)C(C)NC(N)=O Amb28350530 [0,1,0,0,0,1|2,0,0]=4 2076 B9R0.23 CCC(=O)C(C)OC(C)=O Amb25909694 [0,1,0,0,0,1|2,0,0]=4 2077 B9R0.23 CCC(=O)N(C)CC(=O)O Amb1113094 [0,1,0,0,0,1|2,0,0]=4 2078 B9R0.23 CCC(=O)[C@H](C)NC(C)=O Amb27468250 [0,1,0,0,0,1|2,0,0]=4 2079 B9R0.23 CCS(=O)C(C)CC(=O)O Amb19012075 [0,1,0,0,0,1|2,0,0]=4 2080 B9R0.23 CN(CC(=O)O)C(=O)CCl Amb21956220 [0,1,0,0,0,1|2,0,0]=4 2081 B9R0.23 CN(CC(=O)O)C(=O)CN Amb21929346 [0,1,0,0,0,1|2,0,0]=4 2082 B9R0.23 CN(CC(=O)O)C(=O)CO Amb25848387 [0,1,0,0,0,1|1,0,0]=3 2083 B9R0.23 CN(CC(=O)O)C(=O)CS Amb27406788 [0,1,0,0,0,1|1,1,0]=4 2084 B9R0.23 CNC(=O)C(C)CC(N)=O Amb17334220 [0,1,0,0,0,1|2,0,0]=4 2085 B9R0.23 CNC(=O)C(C)NC(N)=O Amb27806674 [0,1,0,0,0,1|2,0,0]=4 2086 B9R0.23 CNC(=O)C(C)OC(C)=O Amb27168697 [0,1,0,0,0,1|2,0,0]=4 2087 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [0,1,0,0,0,1|2,0,0]=4 2088 B9R0.23 CNC(=O)[C@@H](C)NC(N)=O Amb35660536 [0,1,0,0,0,1|2,0,0]=4 2089 B9R0.23 CNC(=O)[C@@H](C)OC(C)=O Amb27253659 [0,1,0,0,0,1|2,0,0]=4 2090 B9R0.23 CNC(=O)[C@H](C)NC(C)=O Amb22800074 [0,1,0,0,0,1|2,0,0]=4 2091 B9R0.23 CNC(=O)\C(C)=C\C(=O)O Amb27202767 [0,1,0,0,0,1|1,0,1]=4 2092 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [0,1,0,0,0,1|1,0,0]=3 2093 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [0,1,0,0,0,1|0,0,0]=2 2094 B9R0.23 COC(=O)C(C)CC(C)=O Amb27465860 [0,1,0,0,0,1|1,0,0]=3 2095 B9R0.23 COC(=O)C(C)CS(=O)Cl Amb32720544 [0,1,0,0,0,1|2,0,0]=4 2096 B9R0.23 COC(=O)C(C)CS(=O)[O-] Amb32754342 [0,1,0,0,0,1|1,0,1]=4 2097 B9R0.23 COC(=O)C(C)CS(N)=O Amb32720545 [0,1,0,0,0,1|2,0,0]=4 2098 B9R0.23 COC(=O)C(C)C[PH](=O)O Amb27826336 [0,1,0,0,0,1|1,0,0]=3 2099 B9R0.23 COC(=O)C(C)NC(=N)N Amb27780112 [0,1,0,0,0,1|2,0,0]=4 2100 B9R0.23 COC(=O)C(C)NC(C)=O Amb24650565 [0,1,0,0,0,1|1,0,0]=3 2101 B9R0.23 COC(=O)C(C)NC(C)=S Amb27838032 [0,1,0,0,0,1|1,1,0]=4 2102 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,1,0,0,0,1|1,0,0]=3 2103 B9R0.23 COC(=O)C(C)NS(C)=O Amb27431923 [0,1,0,0,0,1|2,0,0]=4 2104 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [0,1,0,0,0,1|1,0,0]=3 2105 B9R0.23 COC(=O)C(Cl)NC(C)=O Amb28193243 [0,1,0,0,0,1|2,0,0]=4 2106 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [0,1,0,0,0,1|1,0,0]=3 2107 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [0,1,0,0,0,1|1,0,0]=3 2108 B9R0.23 COC(=O)C(N)CC(C)=O Amb25367296 [0,1,0,0,0,1|2,0,0]=4 2109 B9R0.23 COC(=O)C(N)CC(N)=O Amb16243083 [0,1,0,0,0,1|2,0,0]=4 2110 B9R0.23 COC(=O)C(N)CC(N)=O Amb17601698 [0,1,0,0,0,1|2,0,0]=4 2111 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [0,1,0,0,0,1|1,0,0]=3 2112 B9R0.23 COC(=O)C(O)CC(N)=O Amb27655536 [0,1,0,0,0,1|2,0,0]=4 2113 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [0,1,0,0,0,1|1,0,0]=3 2114 B9R0.23 COC(=O)[C@@H](Br)CC(N)=O Amb27789593 [0,1,0,0,0,1|2,0,0]=4 2115 B9R0.23 COC(=O)[C@@H](C)NC(C)=O Amb17621817 [0,1,0,0,0,1|1,0,0]=3 2116 B9R0.23 COC(=O)[C@@H](C)OC(C)=O Amb28314265 [0,1,0,0,0,1|1,0,0]=3 2117 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [0,1,0,0,0,1|1,0,0]=3 2118 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [0,1,0,0,0,1|1,0,0]=3 2119 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [0,1,0,0,0,1|1,0,0]=3 2120 B9R0.23 COC(=O)[C@@H](N)CC(=O)[O-] Amb22231950 [0,1,0,0,0,1|1,0,1]=4 2121 B9R0.23 COC(=O)[C@@H](N)CC(N)=O Amb8390381 [0,1,0,0,0,1|2,0,0]=4 2122 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [0,1,0,0,0,1|1,0,0]=3 2123 B9R0.23 COC(=O)[C@H](C)CC(=O)Cl Amb28050543 [0,1,0,0,0,1|1,0,0]=3 2124 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [0,1,0,0,0,1|0,0,0]=2 2125 B9R0.23 COC(=O)[C@H](C)NC(C)=O Amb4034849 [0,1,0,0,0,1|1,0,0]=3 2126 B9R0.23 COC(=O)[C@H](C)NC(C)=S Amb26907443 [0,1,0,0,0,1|1,1,0]=4 2127 B9R0.23 COC(=O)[C@H](C)NC(N)=O Amb27948545 [0,1,0,0,0,1|1,0,0]=3 2128 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [0,1,0,0,0,1|1,0,0]=3 2129 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [0,1,0,0,0,1|1,0,0]=3 2130 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,1,0,0,0,1|2,0,0]=4 2131 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb27597987 [0,1,0,0,0,1|2,0,0]=4 2132 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [0,1,0,0,0,1|1,0,0]=3 2133 B9R0.23 COC(=O)[C@H](O)CC(N)=O Amb27623997 [0,1,0,0,0,1|2,0,0]=4 2134 B9R0.23 COC(=O)\C(Br)=C\C(=O)O Amb15695379 [0,1,0,0,0,1|1,0,1]=4 2135 B9R0.23 COC(=O)\C(C)=C\C(=O)O Amb27221493 [0,1,0,0,0,1|0,0,1]=3 2136 B9R0.23 COC(=O)\C(C)=C\C(C)=O Amb27164598 [0,1,0,0,0,1|1,0,1]=4 2137 B9R0.23 COC(=O)\C(F)=C\C(=O)O Amb28288995 [0,1,0,0,0,1|1,0,1]=4 2138 B9R0.23 COC(=S)N(C)CC(=O)O Amb24514158 [0,1,0,0,0,1|1,1,0]=4 2139 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [0,1,0,0,0,1|1,0,1]=4 2140 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [0,1,0,0,0,1|1,0,1]=4 2141 B9R0.23 C\C(=N/O)C(O)CC(=O)O Amb27223478 [0,1,0,0,0,1|2,0,0]=4 2142 B9R0.23 NNC(=O)C(N)CC(=O)O Amb26438038 [0,1,0,0,0,1|2,0,0]=4 2143 B9R0.23 NNC(=O)C(N)CC(=O)O Amb35750707 [0,1,0,0,0,1|2,0,0]=4 2144 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [0,1,0,0,0,1|1,0,0]=3 2145 B9R0.23 O=C(O)CC(Br)C(=O)CBr Amb15772353 [0,1,0,0,0,1|2,0,0]=4 2146 B9R0.23 O=C(O)CC(S)C(=O)CS Amb27758589 [0,1,0,0,0,1|1,1,0]=4 2147 B9R0.39 C#CC(NC(C)=O)C(=O)O Amb27411184 [0,1,0,0,0,1|1,0,1]=4 2148 B9R0.39 C#C[C@@H](NC(C)=O)C(=O)O Amb27393972 [0,1,0,0,0,1|1,0,1]=4 2149 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,1,0,0,0,1|2,0,0]=4 2150 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,1,0,0,0,1|2,0,0]=4 2151 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [0,1,0,0,0,1|2,0,0]=4 2152 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,1,0,0,0,1|2,0,0]=4 2153 B9R0.39 C=C[C@@H](NC(C)=O)C(=O)O Amb28050121 [0,1,0,0,0,1|1,0,1]=4 2154 B9R0.39 CC(=N)N[C@@H](CO)C(=O)O Amb27192588 [0,1,0,0,0,1|2,0,0]=4 2155 B9R0.39 CC(=O)C(CCl)OC(=O)Cl Amb28118995 [0,1,0,0,0,1|2,0,0]=4 2156 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,1,0,0,0,1|1,0,1]=4 2157 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [0,1,0,0,0,1|1,0,0]=3 2158 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,1,0,0,0,1|1,0,0]=3 2159 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [0,1,0,0,0,1|1,0,0]=3 2160 B9R0.39 CC(=O)NC(CO)C(N)=O Amb4018749 [0,1,0,0,0,1|2,0,0]=4 2161 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [0,1,0,0,0,1|1,0,0]=3 2162 B9R0.39 CC(=O)NC(CS)C(N)=O Amb24482241 [0,1,0,0,0,1|2,0,0]=4 2163 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [0,1,0,0,0,1|1,0,0]=3 2164 B9R0.39 CC(=O)N[C@@H](CO)C(N)=O Amb28461160 [0,1,0,0,0,1|2,0,0]=4 2165 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [0,1,0,0,0,1|1,0,0]=3 2166 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O Amb24183864 [0,1,0,0,0,1|2,0,0]=4 2167 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [0,1,0,0,0,1|1,0,0]=3 2168 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [0,1,0,0,0,1|1,0,0]=3 2169 B9R0.39 CC(=O)N[C@H](CS)C(N)=O Amb27232938 [0,1,0,0,0,1|2,0,0]=4 2170 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [0,1,0,0,0,1|1,0,0]=3 2171 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,1,0,0,0,1|1,0,0]=3 2172 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [0,1,0,0,0,1|2,0,0]=4 2173 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,1,0,0,0,1|0,0,0]=2 2174 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,1,0,0,0,1|1,0,1]=4 2175 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,1,0,0,0,1|1,0,0]=3 2176 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,1,0,0,0,1|2,0,0]=4 2177 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,1,0,0,0,1|1,0,1]=4 2178 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [0,1,0,0,0,1|1,0,0]=3 2179 B9R0.39 CCC(NC(C)=O)C(C)=O Amb28348733 [0,1,0,0,0,1|2,0,0]=4 2180 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [0,1,0,0,0,1|1,0,0]=3 2181 B9R0.39 CCC(OC(C)=O)C(=O)Cl Amb28059233 [0,1,0,0,0,1|2,0,0]=4 2182 B9R0.39 CCC(OC(C)=O)C(N)=O Amb25274332 [0,1,0,0,0,1|2,0,0]=4 2183 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,1,0,0,0,1|1,0,0]=3 2184 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [0,1,0,0,0,1|2,0,0]=4 2185 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [0,1,0,0,0,1|2,0,0]=4 2186 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,1,0,0,0,1|0,0,0]=2 2187 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [0,1,0,0,0,1|1,0,0]=3 2188 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,1,0,0,0,1|0,0,0]=2 2189 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [0,1,0,0,0,1|1,0,0]=3 2190 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [0,1,0,0,0,1|1,0,0]=3 2191 B9R0.39 CC\C(=C/C(=O)O)C(=O)O Amb27421975 [0,1,0,0,0,1|0,0,1]=3 2192 B9R0.39 CC\C(=C/C(=O)O)C(C)=O Amb26391990 [0,1,0,0,0,1|1,0,1]=4 2193 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,1,0,0,0,1|0,0,0]=2 2194 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,1,0,0,0,1|0,0,0]=2 2195 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,1,0,0,0,1|1,0,0]=3 2196 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,1,0,0,0,1|1,0,0]=3 2197 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,1,0,0,0,1|0,0,0]=2 2198 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,1,0,0,0,1|0,0,0]=2 2199 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,1,0,0,0,1|1,0,0]=3 2200 B9R0.39 COC(C=C(C)C)C(=O)O Amb20621506 [0,1,0,0,0,1|2,0,0]=4 2201 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,1,0,0,0,1|1,0,0]=3 2202 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,1,0,0,0,1|1,0,0]=3 2203 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,1,0,0,0,1|0,0,0]=2 2204 B9R0.39 CO\C(=C/C(=O)O)C(C)=O Amb28345759 [0,1,0,0,0,1|1,0,1]=4 2205 B9R0.39 CO\C(=C\C(N)=O)C(=O)O Amb27786138 [0,1,0,0,0,1|1,0,1]=4 2206 B9R0.39 CS(=O)NC(CO)C(=O)O Amb28193924 [0,1,0,0,0,1|2,0,0]=4 2207 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,1,0,0,0,1|0,0,0]=2 2208 B9R0.39 C[NH2+]C(CC(=O)[O-])C(=O)[O-] Amb33512929 [0,1,0,0,0,1|0,0,2]=4 2209 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,1,0,0,0,1|0,0,1]=3 2210 B9R0.39 C\C=C(/OC(C)=O)C(=O)O Amb27759731 [0,1,0,0,0,1|1,0,1]=4 2211 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,1,0,0,0,1|0,0,1]=3 2212 B9R0.39 C\C=C(\NC(C)=O)C(=O)O Amb27781271 [0,1,0,0,0,1|1,0,1]=4 2213 B9R0.39 N#C\C(=C\C(=O)O)C(=O)O Amb28074279 [0,1,0,0,0,1|0,0,2]=4 2214 B9R0.39 N=C(N)NC(CS)C(=O)O Amb24711320 [0,1,0,0,0,1|2,0,0]=4 2215 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,1,0,0,0,1|0,0,1]=3 2216 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,1,0,0,0,1|1,0,0]=3 2217 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,1,0,0,0,1|2,0,0]=4 2218 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,1,0,0,0,1|2,0,0]=4 2219 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [0,1,0,0,0,1|1,0,0]=3 2220 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [0,1,0,0,0,1|1,0,0]=3 2221 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [0,1,0,0,0,1|1,0,0]=3 2222 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [0,1,0,0,0,1|1,0,0]=3 2223 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [0,1,0,0,0,1|1,0,0]=3 2224 B9R0.39 NC(N)=N[C@@H](CS)C(=O)O Amb26850870 [0,1,0,0,0,1|2,0,0]=4 2225 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,1,0,0,0,1|0,0,0]=2 2226 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,1,0,0,0,1|0,0,0]=2 2227 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,1,0,0,0,1|1,0,0]=3 2228 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,1,0,0,0,1|1,0,0]=3 2229 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,1,0,0,0,1|0,0,2]=4 2230 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,1,0,0,0,1|0,0,0]=2 2231 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,1,0,0,0,1|0,0,0]=2 2232 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,1,0,0,0,1|1,0,0]=3 2233 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,1,0,0,0,1|1,0,0]=3 2234 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,1,0,0,0,1|1,0,0]=3 2235 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,1,0,0,0,1|1,0,0]=3 2236 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,1,0,0,0,1|1,0,0]=3 2237 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,1,0,0,0,1|1,0,0]=3 2238 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [0,1,0,0,0,1|1,0,1]=4 2239 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [0,1,0,0,0,1|1,0,1]=4 2240 B9R0.39 O=C\C(=C/C(=O)O)C(=O)O Amb18644051 [0,1,0,0,0,1|0,0,2]=4 2241 B9R0.42 C#CC(=O)N[C@@H](C)C(=O)O Amb28060769 [0,1,0,0,0,1|1,0,0]=3 2242 B9R0.42 C=C(C)C(C)OC(=O)CO Amb28282339 [0,1,0,0,0,1|2,0,0]=4 2243 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,1,0,0,0,1|0,0,2]=4 2244 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb3940875 [0,1,0,0,0,1|2,0,0]=4 2245 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb9790819 [0,1,0,0,0,1|2,0,0]=4 2246 B9R0.42 C=CC(=O)N[C@H](C)C(N)=O Amb27770556 [0,1,0,0,0,1|2,0,0]=4 2247 B9R0.42 C=CC(=O)OC(C)C(=O)O Amb27592472 [0,1,0,0,0,1|1,0,0]=3 2248 B9R0.42 C=CC(=O)OC(C)C(C)=O Amb28126623 [0,1,0,0,0,1|2,0,0]=4 2249 B9R0.42 CC(=O)C(C)\C=C(/C)C=O Amb27753996 [0,1,0,0,0,1|2,0,0]=4 2250 B9R0.42 CC(=O)C(C)\C=C(\C)CO Amb27490625 [0,1,0,0,0,1|2,0,0]=4 2251 B9R0.42 CC(=O)N(C)CC(=O)NO Amb28291755 [0,1,0,0,0,1|2,0,0]=4 2252 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [0,1,0,0,0,1|1,0,0]=3 2253 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [0,1,0,0,0,1|1,0,1]=4 2254 B9R0.42 CC(CO)OC(C)C(=O)O Amb27664032 [0,1,0,0,0,1|1,0,1]=4 2255 B9R0.42 CC(CO)O[C@@H](C)C(=O)O Amb28255959 [0,1,0,0,0,1|1,0,1]=4 2256 B9R0.42 CC(CO)O[C@H](C)C(=O)O Amb27450794 [0,1,0,0,0,1|1,0,1]=4 2257 B9R0.42 CC(NC(=O)C=O)C(=O)O Amb27830810 [0,1,0,0,0,1|0,0,1]=3 2258 B9R0.42 CC(NC(=O)C=O)C(N)=O Amb27469201 [0,1,0,0,0,1|1,0,1]=4 2259 B9R0.42 CC(NC(=O)CBr)C(N)=O Amb27470048 [0,1,0,0,0,1|2,0,0]=4 2260 B9R0.42 CC(NC(=O)CCl)C(=O)Cl Amb27201426 [0,1,0,0,0,1|2,0,0]=4 2261 B9R0.42 CC(NC(=O)CCl)C(=O)O Amb3940604 [0,1,0,0,0,1|1,0,0]=3 2262 B9R0.42 CC(NC(=O)CN)C(=O)O Amb533807 [0,1,0,0,0,1|1,0,0]=3 2263 B9R0.42 CC(OC(=O)CCl)C(=O)O Amb28042677 [0,1,0,0,0,1|1,0,0]=3 2264 B9R0.42 CC(OC(=O)CN)C(N)=O Amb27596266 [0,1,0,0,0,1|2,0,0]=4 2265 B9R0.42 CC(OC(=O)CO)C(N)=O Amb28126899 [0,1,0,0,0,1|1,0,0]=3 2266 B9R0.42 CC(S\C(N)=N\N)C(=O)O Amb28125235 [0,1,0,0,0,1|2,0,0]=4 2267 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,1,0,0,0,1|2,0,0]=4 2268 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,1,0,0,0,1|2,0,0]=4 2269 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,1,0,0,0,1|2,0,0]=4 2270 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,1,0,0,0,1|2,0,0]=4 2271 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,1,0,0,0,1|2,0,0]=4 2272 B9R0.42 CCC(=O)NC(C)C(=O)O Amb1116933 [0,1,0,0,0,1|1,0,0]=3 2273 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Amb22901053 [0,1,0,0,0,1|1,0,0]=3 2274 B9R0.42 CCC(=O)OC(C)C(C)=O Amb26063123 [0,1,0,0,0,1|2,0,0]=4 2275 B9R0.42 CCC(=O)\C=C(/C)C(=O)O Amb27613306 [0,1,0,0,0,1|1,0,1]=4 2276 B9R0.42 CCC(O)CC(C)C(=O)O Amb28348984 [0,1,0,0,0,1|1,0,1]=4 2277 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,1,0,0,0,1|2,0,0]=4 2278 B9R0.42 CCS(=O)NC(C)C(=O)O Amb28319239 [0,1,0,0,0,1|2,0,0]=4 2279 B9R0.42 CCS(=O)N[C@@H](C)C(=O)O Amb27243800 [0,1,0,0,0,1|2,0,0]=4 2280 B9R0.42 CNC(=O)CC(C)C(N)=O Amb17334219 [0,1,0,0,0,1|2,0,0]=4 2281 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [0,1,0,0,0,1|2,0,0]=4 2282 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [0,1,0,0,0,1|2,0,0]=4 2283 B9R0.42 CNC(=O)NC(C)C(=O)O Amb1130316 [0,1,0,0,0,1|1,0,0]=3 2284 B9R0.42 CNC(=O)NC(C)C(N)=O Amb27255879 [0,1,0,0,0,1|2,0,0]=4 2285 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O Amb24478025 [0,1,0,0,0,1|1,0,0]=3 2286 B9R0.42 CNC(=O)N[C@H](C)C(=O)O Amb24558529 [0,1,0,0,0,1|1,0,0]=3 2287 B9R0.42 CNC(=O)OC(C)C(=O)O Amb35655772 [0,1,0,0,0,1|1,0,0]=3 2288 B9R0.42 CNC(=O)O[C@@H](C)C(=O)O Amb35647450 [0,1,0,0,0,1|1,0,0]=3 2289 B9R0.42 CNC(=O)O[C@H](C)C(=O)O Amb29866286 [0,1,0,0,0,1|1,0,0]=3 2290 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,1,0,0,0,1|1,0,1]=4 2291 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,1,0,0,0,1|1,0,0]=3 2292 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [0,1,0,0,0,1|2,0,0]=4 2293 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [0,1,0,0,0,1|2,0,0]=4 2294 B9R0.42 COC(=O)CC(C)C(=N)N Amb27971074 [0,1,0,0,0,1|2,0,0]=4 2295 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [0,1,0,0,0,1|1,0,0]=3 2296 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,1,0,0,0,1|0,0,0]=2 2297 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [0,1,0,0,0,1|0,0,1]=3 2298 B9R0.42 COC(=O)CC(C)[N+](=O)[O-] Amb27444812 [0,1,0,0,0,1|1,0,1]=4 2299 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,1,0,0,0,1|1,0,0]=3 2300 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [0,1,0,0,0,1|2,0,0]=4 2301 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,1,0,0,0,1|1,0,0]=3 2302 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,1,0,0,0,1|1,0,0]=3 2303 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,1,0,0,0,1|1,0,0]=3 2304 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,1,0,0,0,1|1,0,0]=3 2305 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [0,1,0,0,0,1|2,0,0]=4 2306 B9R0.42 COC(=O)CN(C)C(=O)Cl Amb35749071 [0,1,0,0,0,1|2,0,0]=4 2307 B9R0.42 COC(=O)CN(C)C(C)=O Amb9263349 [0,1,0,0,0,1|2,0,0]=4 2308 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,1,0,0,0,1|0,0,0]=2 2309 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [0,1,0,0,0,1|1,0,0]=3 2310 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [0,1,0,0,0,1|1,0,0]=3 2311 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,1,0,0,0,1|1,0,0]=3 2312 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,1,0,0,0,1|1,0,0]=3 2313 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,1,0,0,0,1|1,0,0]=3 2314 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,1,0,0,0,1|1,0,0]=3 2315 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,1,0,0,0,1|0,0,0]=2 2316 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [0,1,0,0,0,1|1,0,0]=3 2317 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,1,0,0,0,1|1,0,0]=3 2318 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,1,0,0,0,1|1,0,0]=3 2319 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [0,1,0,0,0,1|2,0,0]=4 2320 B9R0.42 COC(=O)NC(C)C(=N)N Amb27789549 [0,1,0,0,0,1|2,0,0]=4 2321 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [0,1,0,0,0,1|0,0,0]=2 2322 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [0,1,0,0,0,1|0,0,0]=2 2323 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [0,1,0,0,0,1|0,0,0]=2 2324 B9R0.42 COC(=O)N[C@H](C)C(N)=O Amb27428453 [0,1,0,0,0,1|1,0,0]=3 2325 B9R0.42 COC(=O)SC(C)C(C)=O Amb27243977 [0,1,0,0,0,1|1,0,0]=3 2326 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,1,0,0,0,1|0,0,1]=3 2327 B9R0.42 COC(=O)\C=C(/C)C(C)=O Amb20668358 [0,1,0,0,0,1|1,0,1]=4 2328 B9R0.42 COC(=O)\C=C(\C)C(N)=O Amb28198152 [0,1,0,0,0,1|1,0,1]=4 2329 B9R0.42 COC(=S)SC(C)C(=O)O Amb28458571 [0,1,0,0,0,1|0,1,0]=3 2330 B9R0.42 COC(=S)SC(C)C(N)=O Amb28316036 [0,1,0,0,0,1|1,1,0]=4 2331 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [0,1,0,0,0,1|1,0,1]=4 2332 B9R0.42 C[C@@H](NC(=O)CCl)C(=O)O Amb10842258 [0,1,0,0,0,1|1,0,0]=3 2333 B9R0.42 C[C@@H](NC(=O)CN)C(N)=O Amb27865946 [0,1,0,0,0,1|2,0,0]=4 2334 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [0,1,0,0,0,1|1,0,1]=4 2335 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O Amb2781694 [0,1,0,0,0,1|1,0,0]=3 2336 B9R0.42 C[C@H](NC(=O)CN)C(=O)O Amb537542 [0,1,0,0,0,1|1,0,0]=3 2337 B9R0.42 C[C@H](NC(=O)CS)C(=O)O Amb27780474 [0,1,0,0,0,1|0,1,0]=3 2338 B9R0.42 C[C@H](OC(=O)CBr)C(N)=O Amb27985898 [0,1,0,0,0,1|2,0,0]=4 2339 B9R0.42 C\C(=N/C(=O)CO)C(=O)O Amb27426561 [0,1,0,0,0,1|0,0,1]=3 2340 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [0,1,0,0,0,1|2,0,0]=4 2341 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,1,0,0,0,1|1,0,0]=3 2342 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,1,0,0,0,1|1,0,0]=3 2343 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [0,1,0,0,0,1|1,0,1]=4 2344 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [0,1,0,0,0,1|2,0,0]=4 2345 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [0,1,0,0,0,1|2,0,0]=4 2346 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [0,1,0,0,0,1|2,0,0]=4 2347 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [0,1,0,0,0,1|2,0,0]=4 2348 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,1,0,0,0,1|1,0,0]=3 2349 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,1,0,0,0,1|1,0,0]=3 2350 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [0,1,0,0,0,1|2,0,0]=4 2351 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [0,1,0,0,0,1|2,0,0]=4 2352 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [0,1,0,0,0,1|2,0,0]=4 2353 B9R0.42 O=C(CCl)NC(O)C(=O)O Amb27598875 [0,1,0,0,0,1|2,0,0]=4 2354 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [0,1,0,0,0,1|1,0,0]=3 2355 B9R0.57 CC(CP(C)(C)=O)C(=O)O Amb28050894 [0,1,0,0,0,1|2,0,0]=4 2356 B9R0.57 CC(CS(C)(=O)=O)C(=O)O Amb18971622 [0,1,0,0,0,1|1,0,1]=4 2357 B9R0.57 CC(CS(N)(=O)=O)C(=O)O Amb18563379 [0,1,0,0,0,1|1,0,1]=4 2358 B9R0.57 CC(NP(=O)(O)S)C(N)=O Amb27437910 [0,1,0,0,0,1|2,0,0]=4 2359 B9R0.57 CC(NS(C)(=N)=O)C(=O)O Amb35680388 [0,1,0,0,0,1|2,0,0]=4 2360 B9R0.57 CC(NS(C)(=O)=O)C(=O)O Amb9705402 [0,1,0,0,0,1|1,0,1]=4 2361 B9R0.57 CC(NS(N)(=O)=O)C(=O)O Amb6281498 [0,1,0,0,0,1|1,0,1]=4 2362 B9R0.57 CC(OP(=O)(O)O)C(=O)O Amb28458452 [0,1,0,0,0,1|1,0,0]=3 2363 B9R0.57 CC(OS(=O)(=O)O)C(N)=O Amb27770388 [0,1,0,0,0,1|2,0,0]=4 2364 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,1,0,0,0,1|2,0,0]=4 2365 B9R0.57 C[C@@H](NS(C)(=N)=O)C(=O)O Amb35680524 [0,1,0,0,0,1|2,0,0]=4 2366 B9R0.57 C[C@@H](NS(N)(=O)=O)C(=O)O Amb28323679 [0,1,0,0,0,1|1,0,1]=4 2367 B9R0.57 C[C@H](NS(C)(=N)=O)C(=O)O Amb29867468 [0,1,0,0,0,1|2,0,0]=4 2368 B9R0.57 C[C@H](NS(C)(=O)=O)C(=O)O Amb27649688 [0,1,0,0,0,1|1,0,1]=4 2369 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O Amb25701707 [0,1,0,0,0,1|1,0,1]=4 2370 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,1,0,0,0,1|2,0,0]=4 2371 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,1,0,0,0,1|2,0,0]=4 2372 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,1,0,0,0,1|2,0,0]=4 2373 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,1,0,0,0,1|2,0,0]=4 2374 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,1,0,0,0,1|2,0,0]=4 2375 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,1,0,0,0,1|2,0,0]=4 2376 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [0,1,0,0,0,1|2,0,0]=4 2377 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [0,1,0,0,0,1|2,0,0]=4 2378 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,1,0,0,0,1|2,0,0]=4 2379 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,1,0,0,0,1|2,0,0]=4 2380 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,1,0,0,0,1|2,0,0]=4 2381 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,1,0,0,0,1|2,0,0]=4 2382 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,1,0,0,0,1|2,0,0]=4 2383 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,1,0,0,0,1|2,0,0]=4 2384 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,1,0,0,0,1|1,0,0]=3 2385 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,1,0,0,0,1|2,0,0]=4 2386 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,1,0,0,0,1|2,0,0]=4 2387 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,1,0,0,0,1|2,0,0]=4 2388 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,1,0,0,0,1|1,0,0]=3 2389 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,1,0,0,0,1|1,0,0]=3 2390 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,1,0,0,0,1|1,0,0]=3 2391 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,1,0,0,0,1|2,0,0]=4 2392 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,1,0,0,0,1|1,0,0]=3 2393 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,1,0,0,0,1|1,1,0]=4 2394 B9R0.79 CC(C(=O)Cl)C(C)C(=O)Cl Amb22347385 [0,1,0,0,0,1|2,0,0]=4 2395 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,1,0,0,0,1|0,0,0]=2 2396 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,1,0,0,0,1|0,0,0]=2 2397 B9R0.79 CC(C(=O)O)C(Cl)=C(Cl)Cl Amb27789586 [0,1,0,0,0,1|2,0,0]=4 2398 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,1,0,0,0,1|0,0,0]=2 2399 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,1,0,0,0,1|0,0,0]=2 2400 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,1,0,0,0,1|2,0,0]=4 2401 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,1,0,0,0,1|1,0,1]=4 2402 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,1,0,0,0,1|1,0,1]=4 2403 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,1,0,0,0,1|1,0,1]=4 2404 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,1,0,0,0,1|1,0,1]=4 2405 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,1,0,0,0,1|1,0,1]=4 2406 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,1,0,0,0,1|0,0,0]=2 2407 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,1,0,0,0,1|0,0,0]=2 2408 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,1,0,0,0,1|0,0,0]=2 2409 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,1,0,0,0,1|0,0,0]=2 2410 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,1,0,0,0,1|1,0,1]=4 2411 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,1,0,0,0,1|1,0,1]=4 2412 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,1,0,0,0,1|0,0,0]=2 2413 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,1,0,0,0,1|1,0,0]=3 2414 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,1,0,0,0,1|0,0,0]=2 2415 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,1,0,0,0,1|0,0,0]=2 2416 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,1,0,0,0,1|0,0,0]=2 2417 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,1,0,0,0,1|0,0,0]=2 2418 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,1,0,0,0,1|0,0,0]=2 2419 B9R0.79 C[C@H](C(N)=O)[C@H](C)C(N)=O Amb27220901 [0,1,0,0,0,1|2,0,0]=4 2420 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,1,0,0,0,1|1,0,1]=4 2421 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,1,0,0,0,1|1,0,1]=4 2422 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,1,0,0,0,1|1,0,1]=4 2423 B9R0.79 C\C(C(=O)O)=C(/Cl)C(=O)O Amb27858839 [0,1,0,0,0,1|0,0,1]=3 2424 B9R0.79 C\C(C(=O)O)=C(\C)C(=O)O Amb24712245 [0,1,0,0,0,1|0,0,1]=3 2425 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [0,1,0,0,0,1|0,0,1]=3 2426 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,1,0,0,0,1|2,0,0]=4 2427 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,1,0,0,0,1|2,0,0]=4 2428 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,1,0,0,0,1|2,0,0]=4 2429 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,1,0,0,0,1|2,0,0]=4 2430 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,1,0,0,0,1|1,0,0]=3 2431 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,1,0,0,0,1|1,0,0]=3 2432 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,1,0,0,0,1|1,0,0]=3 2433 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,1,0,0,0,1|1,0,0]=3 2434 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,1,0,0,0,1|1,0,0]=3 2435 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,1,0,0,0,1|1,0,0]=3 2436 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,1,0,0,0,1|1,0,0]=3 2437 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,1,0,0,0,1|1,0,0]=3 2438 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,1,0,0,0,1|1,0,0]=3 2439 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,1,0,0,0,1|1,0,0]=3 2440 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,1,0,0,0,1|1,0,0]=3 2441 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,1,0,0,0,1|1,0,0]=3 2442 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,1,0,0,0,1|1,0,0]=3 2443 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,1,0,0,0,1|1,0,0]=3 2444 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,1,0,0,0,1|1,0,0]=3 2445 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,1,0,0,0,1|1,0,0]=3 2446 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,1,0,0,0,1|1,0,0]=3 2447 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,1,0,0,0,1|1,0,0]=3 2448 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,1,0,0,0,1|1,0,0]=3 2449 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,1,0,0,0,1|1,0,0]=3 2450 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,1,0,0,0,1|1,0,0]=3 2451 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,1,0,0,0,1|1,0,0]=3 2452 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,1,0,0,0,1|1,0,0]=3 2453 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,1,0,0,0,1|1,1,0]=4 2454 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,1,0,0,0,1|1,0,0]=3 2455 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,1,0,0,0,1|1,0,0]=3 2456 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,1,0,0,0,1|1,0,0]=3 2457 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,1,0,0,0,1|1,0,0]=3 2458 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,1,0,0,0,1|1,0,0]=3 2459 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,1,0,0,0,1|1,0,0]=3 2460 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,1,0,0,0,1|1,0,0]=3 2461 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,1,0,0,0,1|1,0,0]=3 2462 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,1,0,0,0,1|1,0,0]=3 2463 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,1,0,0,0,1|1,0,0]=3 2464 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,1,0,0,0,1|1,0,0]=3 2465 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,1,0,0,0,1|1,0,0]=3 2466 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,1,0,0,0,1|1,0,0]=3 2467 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,1,0,0,0,1|1,0,0]=3 2468 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,1,0,0,0,1|1,0,0]=3 2469 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,1,0,0,0,1|1,0,0]=3 2470 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,1,0,0,0,1|1,0,0]=3 2471 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,1,0,0,0,1|1,0,0]=3 2472 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,1,0,0,0,1|1,0,0]=3 2473 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,1,0,0,0,1|1,0,0]=3 2474 B9R0.79 O=C(O)\C(Br)=C(/Br)C(=O)O Amb27465194 [0,1,0,0,0,1|1,0,1]=4 2475 B9R0.79 O=C(O)\C(Br)=C(\Br)C(=O)O Amb22347940 [0,1,0,0,0,1|1,0,1]=4 2476 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb18511532 [0,1,0,0,0,1|1,0,1]=4 2477 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb33802774 [0,1,0,0,0,1|1,0,1]=4 2478 B9R0.79 O=C(O)\C(O)=C(\O)C(=O)O Amb17593679 [0,1,0,0,0,1|1,0,1]=4 2479 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,1,0,0,0,1|1,0,1]=4 2480 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,1,0,0,0,1|1,0,1]=4 2481 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,1,0,0,0,1|1,0,1]=4 2482 B9R0.6 C=C(C)C(C)C(=O)OCC Amb25308143 [0,2,0,0,0,0|2,0,0]=4 2483 B9R0.6 CC(C(=O)O)N(C)CCO Amb5767856 [0,2,0,0,0,0|2,0,0]=4 2484 B9R0.6 CC(C(=O)O)S(=O)CCCl Amb28365842 [0,2,0,0,0,0|2,0,0]=4 2485 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [0,2,0,0,0,0|1,0,1]=4 2486 B9R0.6 CCCC(=O)C(C)C(C)=O Amb17593599 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.6 CCCC(O)C(C)C(=O)O Amb18310700 [0,2,0,0,0,0|1,0,1]=4 2488 B9R0.6 CCNC(=O)C(C)C(=O)O Amb27149702 [0,2,0,0,0,0|1,0,0]=3 2489 B9R0.6 CCOC(=N)C(C)C(C)=O Amb28189941 [0,2,0,0,0,0|2,0,0]=4 2490 B9R0.6 CCOC(=O)C(=O)C(=O)O Amb27392066 [0,2,0,0,0,0|1,0,1]=4 2491 B9R0.6 CCOC(=O)C(Br)C(C)=O Amb22232107 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.6 CCOC(=O)C(C)C(=O)Cl Amb27197456 [0,2,0,0,0,0|1,0,0]=3 2493 B9R0.6 CCOC(=O)C(C)C(=O)O Amb4017635 [0,2,0,0,0,0|0,0,0]=2 2494 B9R0.6 CCOC(=O)C(C)C(=O)[O-] Amb33625056 [0,2,0,0,0,0|0,0,1]=3 2495 B9R0.6 CCOC(=O)C(C)C(C)=O Amb3941651 [0,2,0,0,0,0|1,0,0]=3 2496 B9R0.6 CCOC(=O)C(C)C(C)O Amb17615516 [0,2,0,0,0,0|1,0,1]=4 2497 B9R0.6 CCOC(=O)C(C)C(N)=O Amb28324448 [0,2,0,0,0,0|1,0,0]=3 2498 B9R0.6 CCOC(=O)C(C)C(N)=S Amb28342187 [0,2,0,0,0,0|1,1,0]=4 2499 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] Amb4020324 [0,2,0,0,0,0|1,0,1]=4 2500 B9R0.6 CCOC(=O)C(Cl)C(C)=O Amb932833 [0,2,0,0,0,0|2,0,0]=4 2501 B9R0.6 CCOC(=O)C(F)C(=O)O Amb25774508 [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.6 CCOC(=O)C(F)C(=O)[O-] Amb34915353 [0,2,0,0,0,0|1,0,1]=4 2503 B9R0.6 CCOC(=O)C(F)C(C)=O Amb2687850 [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.6 CCOC(=O)C(N)C(=O)Cl Amb27876509 [0,2,0,0,0,0|2,0,0]=4 2505 B9R0.6 CCOC(=O)C(N)C(C)=O Amb18124722 [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.6 CCOC(=O)C(N)C(C)=O Amb6893882 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.6 CCOC(=O)C(O)C(=O)O Amb28050048 [0,2,0,0,0,0|1,0,0]=3 2508 B9R0.6 CCOC(=O)C(O)C(C)=O Amb17593653 [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.6 CCOC(=O)[C-](C)C(C)=O Amb27432632 [0,2,0,0,0,0|1,0,1]=4 2510 B9R0.6 CCOC(=O)[C@@H](C)[C@@H](C)O Amb27394728 [0,2,0,0,0,0|1,0,1]=4 2511 B9R0.6 CCOC(=O)[C@@H](C)[C@H](C)O Amb27812304 [0,2,0,0,0,0|1,0,1]=4 2512 B9R0.6 CCOC(=O)[C@H](C)[C@@H](C)O Amb27466574 [0,2,0,0,0,0|1,0,1]=4 2513 B9R0.6 CCOC(=S)C(C)C(C)=O Amb27945529 [0,2,0,0,0,0|1,1,0]=4 2514 B9R0.6 CCOC(C)C(C)C(=O)O Amb33427356 [0,2,0,0,0,0|1,0,1]=4 2515 B9R0.6 CC\C=C(\C)C(C)C(=O)O Amb27619278 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.6 COCC(=O)C(Cl)C(C)=O Amb27617106 [0,2,0,0,0,0|2,0,0]=4 2517 B9R0.6 COCC(C)C(C)C(=O)O Amb26369700 [0,2,0,0,0,0|1,0,1]=4 2518 B9R0.6 COC\C(Br)=C(/C)C(=O)O Amb27782370 [0,2,0,0,0,0|1,0,1]=4 2519 B9R0.6 CONC(=O)C(=O)C(=O)O Amb27594170 [0,2,0,0,0,0|1,0,1]=4 2520 B9R0.6 CO\N=C(/C)C(C)C(=O)O Amb27618373 [0,2,0,0,0,0|1,0,0]=3 2521 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [0,2,0,0,0,0|1,0,1]=4 2522 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [0,2,0,0,0,0|1,0,1]=4 2523 B9R0.6 C\C(=C/C#N)C(C)C(=O)O Amb27174437 [0,2,0,0,0,0|2,0,0]=4 2524 B9R0.25 COC(=O)C(C)S(=O)(=O)Br Amb28454905 [0,2,0,0,0,0|1,0,1]=4 2525 B9R0.25 COC(=O)C(C)S(=O)(=O)Cl Amb6673235 [0,2,0,0,0,0|1,0,1]=4 2526 B9R0.25 COC(=O)C(C)S(=O)(=O)F Amb32716770 [0,2,0,0,0,0|1,0,1]=4 2527 B9R0.25 COC(=O)C(C)S(=O)(=O)[O-] Amb22364942 [0,2,0,0,0,0|1,0,1]=4 2528 B9R0.25 COC(=O)C(C)S(C)(=O)=O Amb18177821 [0,2,0,0,0,0|1,0,1]=4 2529 B9R0.25 COC(=O)C(C)S(N)(=O)=O Amb18180116 [0,2,0,0,0,0|1,0,1]=4 2530 B9R0.25 COC(=O)C(O)P(=O)(O)O Amb28050769 [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.27 C=C(C(=O)OC)C(=O)OC Amb25703937 [0,2,0,0,0,0|0,0,2]=4 2532 B9R0.27 C=C(OC)C(Cl)C(=O)OC Amb27657647 [0,2,0,0,0,0|2,0,0]=4 2533 B9R0.27 C=C(OC)C(N)C(=O)OC Amb28422733 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.27 C=CC(O)C(C)C(=O)OC Amb26398909 [0,2,0,0,0,0|1,0,1]=4 2535 B9R0.27 C=C[C@H](O)[C@H](C)C(=O)OC Amb28207288 [0,2,0,0,0,0|1,0,1]=4 2536 B9R0.27 CCC(=O)C(C)C(=O)CC Amb27255474 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.27 CCC(=O)C(C)C(=O)NC Amb28313253 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.27 CCC(=O)C(C)C(=O)OC Amb3989246 [0,2,0,0,0,0|1,0,0]=3 2539 B9R0.27 CCC(=O)C(C)C(=O)SC Amb28322019 [0,2,0,0,0,0|1,1,0]=4 2540 B9R0.27 CCC(=O)C(Cl)C(=O)OC Amb18368799 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.27 CCC(=O)C(F)C(=O)OC Amb8389411 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.27 CCC(O)C(C)C(=O)OC Amb24731247 [0,2,0,0,0,0|1,0,1]=4 2543 B9R0.27 CCN(O)C(C)C(=O)OC Amb27216870 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.27 CNC(=O)C(C)C(=O)NC Amb4022628 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.27 COC(=O)C(=O)C(=O)OC Amb27403003 [0,2,0,0,0,0|1,0,1]=4 2546 B9R0.27 COC(=O)C(Br)C(=O)OC Amb8515351 [0,2,0,0,0,0|1,0,0]=3 2547 B9R0.27 COC(=O)C(C)C(=O)OC Amb20246809 [0,2,0,0,0,0|0,0,0]=2 2548 B9R0.27 COC(=O)C(C)C(C)CO Amb27945381 [0,2,0,0,0,0|1,0,1]=4 2549 B9R0.27 COC(=O)C(C)C(Cl)OC Amb27878631 [0,2,0,0,0,0|1,0,1]=4 2550 B9R0.27 COC(=O)C(C)C(O)CO Amb27763921 [0,2,0,0,0,0|0,0,2]=4 2551 B9R0.27 COC(=O)C(Cl)C(=O)OC Amb8383442 [0,2,0,0,0,0|1,0,0]=3 2552 B9R0.27 COC(=O)C(F)C(=O)OC Amb1154614 [0,2,0,0,0,0|1,0,0]=3 2553 B9R0.27 COC(=O)C(N)C(=O)OC Amb2778854 [0,2,0,0,0,0|1,0,0]=3 2554 B9R0.27 COC(=O)C(N)C(=O)OC Amb8517111 [0,2,0,0,0,0|1,0,0]=3 2555 B9R0.27 COC(=O)[C@@H](C)[C@@H](O)CO Amb27805350 [0,2,0,0,0,0|0,0,2]=4 2556 B9R0.27 O=C[C@H](O)[C@H](O)C(=O)CO Amb27837984 [0,2,0,0,0,0|1,0,1]=4 2557 B9R0.28 C=C(CO)C(C)(C)C(=O)O Amb27975679 [0,2,0,0,0,0|1,0,0]=3 2558 B9R0.28 C=C(Cl)C(C)(C)C(=O)OC Amb2699527 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.28 C=C=C(C)C(C)(O)C(=O)O Amb27167590 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.28 C=CC(O)C(C)(C)C(=O)O Amb24568657 [0,2,0,0,0,0|1,0,1]=4 2561 B9R0.28 CC(=O)C(C)(C)C(=O)CBr Amb24477317 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.28 CC(=O)C(C)(C)C(=O)CCl Amb25144764 [0,2,0,0,0,0|2,0,0]=4 2563 B9R0.28 CC(=O)C(C)(F)C(=O)CF Amb26451010 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.28 CC(C)(C(=O)Cl)C(=O)CCl Amb27983788 [0,2,0,0,0,0|2,0,0]=4 2565 B9R0.28 CC(C)(C(=O)O)C(N)CO Amb27808913 [0,2,0,0,0,0|1,0,1]=4 2566 B9R0.28 CC(C)(C(=O)O)N(O)N=O Amb28251344 [0,2,0,0,0,0|1,0,0]=3 2567 B9R0.28 CC(C)(C(=O)O)[C@@H](N)CO Amb27602524 [0,2,0,0,0,0|1,0,1]=4 2568 B9R0.28 CC(C)(C(=O)O)\C(F)=C\Br Amb28247146 [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.28 CC(C)(C(=O)O)\C(F)=C\Cl Amb27185448 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.28 CC(CO)C(C)(C)C(=O)O Amb27857073 [0,2,0,0,0,0|1,0,1]=4 2571 B9R0.28 CC(N)(C(=O)O)C(O)CO Amb27393917 [0,2,0,0,0,0|0,0,2]=4 2572 B9R0.28 CC(O)(C(=O)O)C(O)CN Amb27237582 [0,2,0,0,0,0|1,0,1]=4 2573 B9R0.28 CCC(=O)C(C)(C)C(C)=O Amb26626766 [0,2,0,0,0,0|2,0,0]=4 2574 B9R0.28 CCC(=O)C(C)(O)C(=O)[O-] Amb27973095 [0,2,0,0,0,0|1,0,1]=4 2575 B9R0.28 CCC(=O)[C@@](C)(O)C(C)=O Amb28068854 [0,2,0,0,0,0|2,0,0]=4 2576 B9R0.28 CCC(=O)[C@](C)(O)C(C)=O Amb28059309 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.28 CCC(O)C(C)(C)C(=O)O Amb18989578 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.28 CC[C@H](O)[C@@](C)(O)C(=O)O Amb27221818 [0,2,0,0,0,0|1,0,1]=4 2579 B9R0.28 CNC(=O)C(C)(C)C(=O)O Amb25141026 [0,2,0,0,0,0|1,0,0]=3 2580 B9R0.28 CNC(=S)C(C)(C)C(=O)O Amb27392262 [0,2,0,0,0,0|1,1,0]=4 2581 B9R0.28 COC(=O)C(C)(C)C(=N)N Amb21970936 [0,2,0,0,0,0|2,0,0]=4 2582 B9R0.28 COC(=O)C(C)(C)C(=O)Cl Amb25241843 [0,2,0,0,0,0|1,0,0]=3 2583 B9R0.28 COC(=O)C(C)(C)C(=O)O Amb8394865 [0,2,0,0,0,0|0,0,0]=2 2584 B9R0.28 COC(=O)C(C)(C)C(=O)[O-] Amb34916063 [0,2,0,0,0,0|0,0,1]=3 2585 B9R0.28 COC(=O)C(C)(C)C(C)=O Amb10807393 [0,2,0,0,0,0|1,0,0]=3 2586 B9R0.28 COC(=O)C(C)(C)C(C)O Amb27424899 [0,2,0,0,0,0|1,0,1]=4 2587 B9R0.28 COC(=O)C(C)(C)C(N)=O Amb27398627 [0,2,0,0,0,0|1,0,0]=3 2588 B9R0.28 COC(=O)C(C)(C)C(N)=S Amb27404553 [0,2,0,0,0,0|1,1,0]=4 2589 B9R0.28 COC(=O)C(C)(C)S(=O)Cl Amb32720422 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.28 COC(=O)C(C)(C)S(=O)[O-] Amb32754528 [0,2,0,0,0,0|1,0,1]=4 2591 B9R0.28 COC(=O)C(C)(C)S(N)=O Amb32720423 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.28 COC(=O)C(C)(Cl)C(N)=O Amb28286167 [0,2,0,0,0,0|1,0,0]=3 2593 B9R0.28 COC(=O)C(C)(N)C(C)O Amb18644324 [0,2,0,0,0,0|1,0,1]=4 2594 B9R0.28 COC(=O)C(C)(O)C(C)=O Amb22230872 [0,2,0,0,0,0|1,0,0]=3 2595 B9R0.28 COC(=O)C(F)(F)C(=O)F Amb26505429 [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.28 COC(=O)C(F)(F)C(=O)[O-] Amb33550660 [0,2,0,0,0,0|1,0,1]=4 2597 B9R0.28 COC(=O)C(F)(F)C(C)=O Amb26944478 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.28 COC(=O)[C@@](C)(N)[C@@H](C)O Amb28245860 [0,2,0,0,0,0|1,0,1]=4 2599 B9R0.28 COC(=O)[C@@](C)(N)[C@H](C)O Amb27185503 [0,2,0,0,0,0|1,0,1]=4 2600 B9R0.28 COC(=O)[C@](C)(N)[C@H](C)O Amb28055991 [0,2,0,0,0,0|1,0,1]=4 2601 B9R0.28 CSC(=O)C(C)(C)C(C)=O Amb27267173 [0,2,0,0,0,0|1,1,0]=4 2602 B9R0.28 C[C@@](O)(C(=O)O)[C@@H](O)CO Amb27823380 [0,2,0,0,0,0|0,0,2]=4 2603 B9R0.28 C[C@@](O)(C(=O)O)[C@H](O)CO Amb27411591 [0,2,0,0,0,0|0,0,2]=4 2604 B9R0.28 C[C@](O)(C(=O)O)[C@@H](O)CO Amb28289809 [0,2,0,0,0,0|0,0,2]=4 2605 B9R0.28 C[C@](O)(C(=O)O)[C@H](O)CN Amb27623544 [0,2,0,0,0,0|1,0,1]=4 2606 B9R0.28 C\C(=C\Br)C(C)(C)C(=O)O Amb27797283 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.28 C\C(=N/O)C(C)(C)C(=O)O Amb27472982 [0,2,0,0,0,0|1,0,0]=3 2608 B9R0.28 C\C(=N/O)C(C)(C)C(N)=O Amb28247232 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.28 C\C=C(\Br)C(C)(O)C(=O)O Amb28049985 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.28 C\C=C(\C)C(C)(C)C(=O)O Amb28050085 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.29 C=C(C)C(CN)C(=O)OC Amb33199522 [0,2,0,0,0,0|2,0,0]=4 2612 B9R0.29 CCC(=O)C(CC)C(C)=O Amb17593598 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.29 CCC(C(=O)Cl)C(=O)OC Amb27635479 [0,2,0,0,0,0|1,0,0]=3 2614 B9R0.29 CCC(C(=O)O)C(=O)NN Amb27592869 [0,2,0,0,0,0|1,0,0]=3 2615 B9R0.29 CCC(C(=O)O)C(=O)OC Amb25709569 [0,2,0,0,0,0|0,0,0]=2 2616 B9R0.29 CCC(C(=O)O)N(O)C=O Amb27253538 [0,2,0,0,0,0|1,0,0]=3 2617 B9R0.29 CCC(C(=O)OC)C(C)O Amb25325694 [0,2,0,0,0,0|1,0,1]=4 2618 B9R0.29 CCC(C(=O)OC)[C@@H](C)O Amb27270936 [0,2,0,0,0,0|1,0,1]=4 2619 B9R0.29 CCC(C(C)=O)C(=O)OC Amb6608917 [0,2,0,0,0,0|1,0,0]=3 2620 B9R0.29 CCC(O)C(CC)C(=O)O Amb18310733 [0,2,0,0,0,0|1,0,1]=4 2621 B9R0.29 CCC(O)C(OC)C(=O)O Amb18644355 [0,2,0,0,0,0|1,0,1]=4 2622 B9R0.29 CCN(C(C)=O)C(=O)OC Amb27423942 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.29 CC[C@@H](C(=O)OC)[C@@H](C)O Amb27951770 [0,2,0,0,0,0|1,0,1]=4 2624 B9R0.29 CN(C=O)C(CO)C(=O)O Amb28325160 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.29 CNC(C(=O)O)C(C)OC Amb24117895 [0,2,0,0,0,0|1,0,1]=4 2626 B9R0.29 CNC(C(=O)OC)C(C)O Amb28126781 [0,2,0,0,0,0|1,0,1]=4 2627 B9R0.29 CN[C@@H](C(=O)O)[C@@H](C)OC Amb33347469 [0,2,0,0,0,0|1,0,1]=4 2628 B9R0.29 CN[C@@H](C(=O)OC)C(C)O Amb23603655 [0,2,0,0,0,0|1,0,1]=4 2629 B9R0.29 CN[C@@H](C(=O)OC)[C@@H](C)O Amb27770605 [0,2,0,0,0,0|1,0,1]=4 2630 B9R0.29 CN[C@@H](C(=O)OC)[C@H](C)O Amb27491244 [0,2,0,0,0,0|1,0,1]=4 2631 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O Amb27808325 [0,2,0,0,0,0|1,0,1]=4 2632 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O Amb33952233 [0,2,0,0,0,0|1,0,1]=4 2633 B9R0.29 CN[C@H](C(=O)OC)[C@H](C)O Amb27436113 [0,2,0,0,0,0|1,0,1]=4 2634 B9R0.29 COC(=O)C(C#N)C(C)=O Amb22261464 [0,2,0,0,0,0|1,0,1]=4 2635 B9R0.29 COC(=O)C(C=O)C(C)=O Amb27838098 [0,2,0,0,0,0|1,0,1]=4 2636 B9R0.29 COC(=O)C(CCl)[N+](=O)[O-] Amb27455464 [0,2,0,0,0,0|1,0,1]=4 2637 B9R0.29 COC(=O)C(CN)C(=O)O Amb27235543 [0,2,0,0,0,0|0,0,0]=2 2638 B9R0.29 COC(=O)C(OC)C(=O)Cl Amb27494806 [0,2,0,0,0,0|1,0,0]=3 2639 B9R0.29 COC(=O)C(OC)C(=O)O Amb28050153 [0,2,0,0,0,0|0,0,0]=2 2640 B9R0.29 COC(=O)C(OC)C(C)=O Amb21857332 [0,2,0,0,0,0|1,0,0]=3 2641 B9R0.29 COC(=O)C(SC)C(C)=O Amb27219610 [0,2,0,0,0,0|1,0,0]=3 2642 B9R0.29 COC(=O)[C@@H](CN)[C@@H](C)O Amb27221421 [0,2,0,0,0,0|1,0,1]=4 2643 B9R0.29 COC(=O)[C@@H](SC)[C@H](C)O Amb28050788 [0,2,0,0,0,0|1,0,1]=4 2644 B9R0.29 COC(=O)[C@H](OC)[C@H](C)O Amb27171390 [0,2,0,0,0,0|1,0,1]=4 2645 B9R0.29 COC(=O)\C(=C\O)C(=O)O Amb28364051 [0,2,0,0,0,0|0,0,2]=4 2646 B9R0.29 CSC(C(C)=O)C(=O)NO Amb27261928 [0,2,0,0,0,0|1,0,0]=3 2647 B9R0.29 C\C=C(/C)C(CC)C(=O)O Amb27440494 [0,2,0,0,0,0|2,0,0]=4 2648 B9R0.29 C\C=C(\C(C)=O)C(=O)OC Amb28253790 [0,2,0,0,0,0|1,0,1]=4 2649 B9R0.29 NCC(C(=O)O)C(O)CF Amb27955957 [0,2,0,0,0,0|1,0,1]=4 2650 B9R0.32 CC(C(=O)O)C(C)(C)CO Amb33200362 [0,2,0,0,0,0|1,0,1]=4 2651 B9R0.32 CC(C(=O)O)S(=O)(=O)NN Amb28137269 [0,2,0,0,0,0|1,0,1]=4 2652 B9R0.32 CCC(C)(O)C(C)C(=O)O Amb18990593 [0,2,0,0,0,0|1,0,1]=4 2653 B9R0.32 CCS(=O)(=O)C(C)C(=O)O Amb9720741 [0,2,0,0,0,0|1,0,1]=4 2654 B9R0.32 COC(C)(C)C(C)C(=O)O Amb27247404 [0,2,0,0,0,0|1,0,1]=4 2655 B9R0.41 C=C[C@H](OC)[C@@H](C)C(=O)O Amb27411501 [0,2,0,0,0,0|1,0,1]=4 2656 B9R0.41 CCC(OC)C(C)C(=O)O Amb27413515 [0,2,0,0,0,0|1,0,1]=4 2657 B9R0.41 CCN(N=O)[C@H](C)C(=O)O Amb27413512 [0,2,0,0,0,0|2,0,0]=4 2658 B9R0.41 CC\C(C=O)=C(\C)C(=O)O Amb27217286 [0,2,0,0,0,0|1,0,1]=4 2659 B9R0.41 COC(OC)C(C)C(=O)O Amb24401121 [0,2,0,0,0,0|0,0,2]=4 2660 B9R0.41 C\C=C(\CO)C(N)C(=O)O Amb27615038 [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.33 C#CCC(C(=C)C)C(=O)O Amb28319256 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.33 C#CCC(C(=O)O)C(=O)O Amb4034909 [0,2,0,0,0,0|0,0,0]=2 2663 B9R0.33 C#CCC(C(=O)O)C(C)O Amb27237558 [0,2,0,0,0,0|1,0,1]=4 2664 B9R0.33 C#CCC(C(C)=O)C(C)=O Amb18633828 [0,2,0,0,0,0|2,0,0]=4 2665 B9R0.33 C=C(C)C(CC#N)C(=O)O Amb27473285 [0,2,0,0,0,0|2,0,0]=4 2666 B9R0.33 C=C(C)C(NCC)C(=O)O Amb28050492 [0,2,0,0,0,0|2,0,0]=4 2667 B9R0.33 C=CCC(C(=C)C)C(=O)O Amb27410645 [0,2,0,0,0,0|2,0,0]=4 2668 B9R0.33 C=CCC(C(=O)O)C(=O)O Amb6297795 [0,2,0,0,0,0|0,0,0]=2 2669 B9R0.33 C=CCC(C(C)=O)C(C)=O Amb2781540 [0,2,0,0,0,0|2,0,0]=4 2670 B9R0.33 C=CCC(C(C)=O)C(N)=O Amb24426800 [0,2,0,0,0,0|2,0,0]=4 2671 B9R0.33 C=CCC(C(N)=O)C(N)=O Amb27832376 [0,2,0,0,0,0|2,0,0]=4 2672 B9R0.33 CC(=O)C(CC=O)C(C)=O Amb17593588 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.33 CC(=O)C(CCBr)C(C)=O Amb27955999 [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.33 CCCC(C(=O)O)C(=O)O Amb8384909 [0,2,0,0,0,0|0,0,0]=2 2675 B9R0.33 CCCC(C(=O)O)C(C)O Amb26422276 [0,2,0,0,0,0|1,0,1]=4 2676 B9R0.33 CCCC(C(=O)O)S(C)=O Amb27255158 [0,2,0,0,0,0|2,0,0]=4 2677 B9R0.33 CCCC(C(C)=O)C(N)=O Amb24744722 [0,2,0,0,0,0|2,0,0]=4 2678 B9R0.33 CCCC(C(N)=O)C(N)=O Amb24380863 [0,2,0,0,0,0|2,0,0]=4 2679 B9R0.33 CCC[C@H](C(=O)O)[C@H](C)O Amb27221692 [0,2,0,0,0,0|1,0,1]=4 2680 B9R0.33 CCN[C@H](C(=O)O)C(C)O Amb27629796 [0,2,0,0,0,0|1,0,1]=4 2681 B9R0.33 COCC(C(=O)O)C(=O)O Amb27866758 [0,2,0,0,0,0|0,0,0]=2 2682 B9R0.33 COCC(C(=O)O)N(C)O Amb27976733 [0,2,0,0,0,0|2,0,0]=4 2683 B9R0.33 CO\N=C(\C(N)=O)C(=O)O Amb27633237 [0,2,0,0,0,0|1,0,1]=4 2684 B9R0.33 CS(=O)C(CCN)C(=O)O Amb27425024 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.33 C\C(O)=C(/CCO)C(=O)O Amb27254116 [0,2,0,0,0,0|1,0,1]=4 2686 B9R0.33 N#CCC(C(N)=O)C(N)=O Amb27953510 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.33 N#CNC(C(=O)O)C(=O)O Amb30031225 [0,2,0,0,0,0|0,0,1]=3 2688 B9R0.33 NC(=O)C(CCO)C(N)=O Amb27949202 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.33 NCCC(C(=O)O)C(=O)O Amb27797430 [0,2,0,0,0,0|0,0,0]=2 2690 B9R0.33 O=C(O)C(CCF)C(=O)O Amb27958814 [0,2,0,0,0,0|0,0,0]=2 2691 B9R0.54 C=C(C)C(C(=O)O)C(C)C Amb18643917 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.54 C=C(C)C(C(=O)O)[N+](=O)[O-] Amb27945314 [0,2,0,0,0,0|1,0,1]=4 2693 B9R0.54 C=C(C)[C@H](C(=O)O)C(C)C Amb27222321 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.54 CC(=O)C(C(C)=O)C(C)=O Amb22231697 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.54 CC(=O)C(C(C)=O)C(C)C Amb17689200 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.54 CC(=O)C(C(N)=O)C(C)C Amb27618094 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.54 CC(=O)C(C(N)=O)C(N)=O Amb27829608 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.54 CC(C)=C(C(=O)O)C(=O)O Amb18644067 [0,2,0,0,0,0|0,0,1]=3 2699 B9R0.54 CC(C)=C(C(N)=O)C(=O)O Amb28240353 [0,2,0,0,0,0|1,0,1]=4 2700 B9R0.54 CC(C)C(C(=O)O)C(=O)O Amb2689019 [0,2,0,0,0,0|0,0,0]=2 2701 B9R0.54 CC(C)C(C(=O)O)C(C)O Amb18990640 [0,2,0,0,0,0|1,0,1]=4 2702 B9R0.54 CC(C)C(C(N)=O)C(=O)O Amb28050146 [0,2,0,0,0,0|1,0,0]=3 2703 B9R0.54 CC(C)C(C(N)=O)C(N)=O Amb27230644 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.54 CC(N)C(C(=O)O)C(C)O Amb27201636 [0,2,0,0,0,0|1,0,1]=4 2705 B9R0.54 C[C@@H](O)[C@@H](C(=O)O)N(C)C Amb27493848 [0,2,0,0,0,0|1,0,1]=4 2706 B9R0.54 O=C(O)C(C(=O)O)C(=O)O Amb8393825 [0,2,0,0,0,0|0,0,1]=3 2707 B9R0.72 C=CC(C(=O)O)S(=O)(=O)O Amb27845500 [0,2,0,0,0,0|1,0,1]=4 2708 B9R0.72 CCC(C(=O)O)C(C)(C)O Amb18990620 [0,2,0,0,0,0|1,0,1]=4 2709 B9R0.72 CCC(C(=O)O)P(=O)(O)O Amb22045234 [0,2,0,0,0,0|1,0,0]=3 2710 B9R0.72 CCC(C(=O)O)S(=O)(=O)Cl Amb28047190 [0,2,0,0,0,0|1,0,1]=4 2711 B9R0.72 CCC(C(=O)O)S(C)(=O)=O Amb17501412 [0,2,0,0,0,0|1,0,1]=4 2712 B9R0.72 CCC(C(=O)O)S(N)(=O)=O Amb28130324 [0,2,0,0,0,0|1,0,1]=4 2713 B9R0.72 CNC(C(=O)O)C(C)(C)O Amb18644319 [0,2,0,0,0,0|1,0,1]=4 2714 B9R0.72 CN[C@H](C(=O)O)C(C)(C)O Amb27252117 [0,2,0,0,0,0|1,0,1]=4 2715 B9R0.72 CS(=O)(=O)C(CN)C(=O)O Amb27754418 [0,2,0,0,0,0|1,0,1]=4 2716 B9R0.72 NCC(C(=O)O)S(=O)(=O)O Amb21982536 [0,2,0,0,0,0|1,0,0]=3 2717 B9R0.72 O=C(O)C(CCl)S(=O)(=O)Cl Amb27173363 [0,2,0,0,0,0|1,0,1]=4 2718 B9R0.72 O=C(O)C(CCl)S(=O)(=O)O Amb26581735 [0,2,0,0,0,0|1,0,0]=3 2719 B9R0.72 [C-]#[N+]C(C(=O)O)P(=O)(O)O Amb27614858 [0,2,0,0,0,0|1,0,1]=4 2720 B9R0.76 C=C(C)C(C)(CC)C(=O)O Amb18643949 [0,2,0,0,0,0|2,0,0]=4 2721 B9R0.76 C=C(C)[C@@](O)(CC)C(=O)O Amb28397858 [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.76 C=CC(C)(C(C)=O)C(C)=O Amb27617990 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.76 C=CC(O)(C(=O)O)C(=O)O Amb27593492 [0,2,0,0,0,0|0,0,1]=3 2724 B9R0.76 CC(=O)C(C)(CBr)C(C)=O Amb27817626 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.76 CC(=O)C(O)(CO)C(C)=O Amb27973085 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.76 CC(CBr)(C(=O)O)C(=O)O Amb27226060 [0,2,0,0,0,0|0,0,0]=2 2727 B9R0.76 CCC(C)(C(=O)O)C(=O)O Amb18644240 [0,2,0,0,0,0|0,0,0]=2 2728 B9R0.76 CCC(C)(C(C)=O)C(N)=O Amb25889035 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.76 CCC(C)(C(N)=O)C(N)=O Amb27268006 [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.76 CCC(Cl)(C(N)=O)C(N)=O Amb27433947 [0,2,0,0,0,0|2,0,0]=4 2731 B9R0.76 CCC(F)(C(N)=O)C(=O)O Amb27413804 [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.76 CCC(N)(C(=O)O)C(C)O Amb27955481 [0,2,0,0,0,0|1,0,1]=4 2733 B9R0.76 CCC(O)(C(=O)O)C(C)O Amb27413859 [0,2,0,0,0,0|1,0,1]=4 2734 B9R0.76 CC[C@@](O)(C(=O)O)[C@H](C)O Amb27874115 [0,2,0,0,0,0|1,0,1]=4 2735 B9R0.76 NC(=O)C(N)(CO)C(=O)O Amb27240199 [0,2,0,0,0,0|1,0,0]=3 2736 B9R0.49 CC(P(=O)(O)O)P(=O)(O)O Amb24721253 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.80 CC(C)(C(=O)O)S(=O)(=O)Cl Amb27881594 [0,2,0,0,0,0|1,0,1]=4 2738 B9R0.80 CC(C)(C(=O)O)S(=O)(=O)F Amb32719115 [0,2,0,0,0,0|1,0,1]=4 2739 B9R0.80 CC(C)(C(=O)O)S(C)(=O)=O Amb17501569 [0,2,0,0,0,0|1,0,1]=4 2740 B9R0.80 CC(C)(O)C(C)(C)C(=O)O Amb18281599 [0,2,0,0,0,0|1,0,1]=4 2741 B9R0.80 CC(C)(O)C(C)(O)C(=O)O Amb27975752 [0,2,0,0,0,0|1,0,1]=4 2742 B9R0.80 CC(C)(O)[C@@](C)(N)C(=O)O Amb25117586 [0,2,0,0,0,0|1,0,1]=4 2743 B9R0.80 CC(C)(O)[C@](C)(N)C(=O)O Amb28135986 [0,2,0,0,0,0|1,0,1]=4 2744 B9R0.80 O=C(O)C(F)(F)S(=O)(=O)O Amb4460617 [0,2,0,0,0,0|2,0,0]=4 2745 B7R1.2 C=C1COC(=O)C1 Amb24589821 [1,0,0,1,0,0|2,0,0]=4 2746 B7R1.2 CC1=COC(=O)C1 Amb27624758 [1,0,0,1,0,0|2,0,0]=4 2747 B7R1.2 CC1=NOC(=O)C1 Amb22274079 [1,0,0,1,0,0|2,0,0]=4 2748 B7R1.2 O=C1C=C(O)CO1 Amb628324 [1,0,0,1,0,0|1,0,1]=4 2749 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [1,0,0,1,0,0|2,0,0]=4 2750 B7R1.2 O=C1CC(=O)NN1 Amb9809314 [1,0,0,1,0,0|2,0,0]=4 2751 B7R1.2 O=C1CC(=O)ON1 Amb33714889 [1,0,0,1,0,0|1,0,0]=3 2752 B7R1.2 O=C1CC(Br)=CO1 Amb27263920 [1,0,0,1,0,0|2,0,0]=4 2753 B7R1.2 O=C1CC(O)CO1 Amb4006296 [1,0,0,1,0,0|1,0,1]=4 2754 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [1,0,0,1,0,0|2,0,0]=4 2755 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [1,0,0,1,0,0|2,0,0]=4 2756 B7R1.2 O=C1COC(=O)C1 Amb2721303 [1,0,0,1,0,0|1,0,0]=3 2757 B7R1.2 O=C1COC(=O)N1 Amb1625991 [1,0,0,1,0,0|2,0,0]=4 2758 B7R1.2 O=C1COC(=O)O1 Amb27837383 [1,0,0,1,0,0|2,0,0]=4 2759 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [1,0,0,1,0,0|2,0,0]=4 2760 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [1,0,0,1,0,0|1,1,0]=4 2761 B7R1.2 O=C1C[C@@H](O)CO1 Amb2695144 [1,0,0,1,0,0|1,0,1]=4 2762 B7R1.2 O=C1C[C@H](O)CO1 Amb8627913 [1,0,0,1,0,0|1,0,1]=4 2763 B7R1.2 O=C1NOC(=O)N1 Amb22002584 [1,0,0,1,0,0|2,0,0]=4 2764 B7R1.12 C=C1CC1C(=O)O Amb9774969 [1,0,0,1,0,0|2,0,0]=4 2765 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,1,0,0|2,0,0]=4 2766 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,1,0,0|1,0,1]=4 2767 B7R1.12 C[C@@H]1O[C@@H]1C(=O)O Amb28347451 [1,0,0,1,0,0|1,0,1]=4 2768 B7R1.12 C[C@@H]1O[C@H]1C(=O)O Amb25738149 [1,0,0,1,0,0|1,0,1]=4 2769 B7R1.12 C[C@H]1O[C@@H]1C(=O)O Amb27420167 [1,0,0,1,0,0|1,0,1]=4 2770 B7R1.12 C[C@H]1O[C@H]1C(=O)O Amb27237050 [1,0,0,1,0,0|1,0,1]=4 2771 B7R1.12 O=C(Cl)C1CC1=O Amb27838228 [1,0,0,1,0,0|2,0,0]=4 2772 B7R1.20 O=C(O)CC1CO1 Amb25244347 [1,0,0,1,0,0|1,0,1]=4 2773 B7R1.20 O=C(O)C[C@@H]1CO1 Amb27253415 [1,0,0,1,0,0|1,0,1]=4 2774 B7R1.20 O=C(O)C[C@H]1CO1 Amb26068484 [1,0,0,1,0,0|1,0,1]=4 2775 B7R1.4 CC1=CCOC1=O Amb16231256 [1,0,0,1,0,0|1,0,1]=4 2776 B7R1.4 CC1C=COC1=O Amb27862334 [1,0,0,1,0,0|1,0,0]=3 2777 B7R1.4 CC1C=NNC1=O Amb22232312 [1,0,0,1,0,0|2,0,0]=4 2778 B7R1.4 CC1CCOC1=O Amb16185414 [1,0,0,1,0,0|1,0,1]=4 2779 B7R1.4 CC1COCC1=O Amb24333426 [1,0,0,1,0,0|1,0,1]=4 2780 B7R1.4 CC1CONC1=O Amb33714888 [1,0,0,1,0,0|1,0,1]=4 2781 B7R1.4 O=C1OC=CC1Br Amb22015332 [1,0,0,1,0,0|2,0,0]=4 2782 B7R1.4 O=C1OC=CC1S Amb27624883 [1,0,0,1,0,0|2,0,0]=4 2783 B7R1.4 O=C1OC=C[C@@H]1O Amb27472742 [1,0,0,1,0,0|2,0,0]=4 2784 B7R1.8 O=C1CCC1CO Amb24722181 [1,0,0,1,0,0|1,0,1]=4 2785 B7R1.8 O=C1NCC1CO Amb28196532 [1,0,0,1,0,0|1,0,1]=4 2786 B7R1.15 CC1=C(O)CC1=O Amb27838185 [1,0,0,1,0,0|1,0,1]=4 2787 B7R1.15 CC1C(=O)CC1=O Amb24364046 [1,0,0,1,0,0|1,0,0]=3 2788 B7R1.15 CC1C(=O)CC1O Amb28423178 [1,0,0,1,0,0|1,0,1]=4 2789 B7R1.18 CC(=O)C1COC1 Amb27397483 [1,0,0,1,0,0|1,0,1]=4 2790 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [1,0,0,1,0,0|1,0,1]=4 2791 B7R1.18 O=C(O)C1CCC1 Amb2686619 [1,0,0,1,0,0|1,0,1]=4 2792 B7R1.18 O=C(O)C1CCN1 Amb2371568 [1,0,0,1,0,0|2,0,0]=4 2793 B7R1.18 O=C(O)C1CCN1 Amb8391098 [1,0,0,1,0,0|2,0,0]=4 2794 B7R1.18 O=C(O)C1CCO1 Amb2383526 [1,0,0,1,0,0|2,0,0]=4 2795 B7R1.18 O=C(O)C1CCS1 Amb27209836 [1,0,0,1,0,0|2,0,0]=4 2796 B7R1.18 O=C(O)C1CNC1 Amb2444164 [1,0,0,1,0,0|1,0,1]=4 2797 B7R1.18 O=C(O)C1CNC1 Amb8384273 [1,0,0,1,0,0|1,0,1]=4 2798 B7R1.18 O=C(O)C1COC1 Amb33542663 [1,0,0,1,0,0|0,0,1]=3 2799 B7R1.18 O=C(O)C1CSC1 Amb20171470 [1,0,0,1,0,0|0,1,1]=4 2800 B7R1.18 O=C(O)[C@@H]1CCN1 Amb2698263 [1,0,0,1,0,0|2,0,0]=4 2801 B7R1.18 O=C(O)[C@@H]1CCN1 Amb8631077 [1,0,0,1,0,0|2,0,0]=4 2802 B7R1.18 O=C(O)[C@@H]1CCO1 Amb33482870 [1,0,0,1,0,0|2,0,0]=4 2803 B7R1.18 O=C(O)[C@H]1CCN1 Amb2698264 [1,0,0,1,0,0|2,0,0]=4 2804 B7R1.18 O=C(O)[C@H]1CCN1 Amb33801322 [1,0,0,1,0,0|2,0,0]=4 2805 B7R1.18 O=C(O)[C@H]1CCO1 Amb33483353 [1,0,0,1,0,0|2,0,0]=4 2806 B7R1.19 CC(=O)C1(C)CO1 Amb9677568 [1,0,0,1,0,0|1,0,1]=4 2807 B7R1.19 CC(=O)[C@@]1(C)CO1 Amb28050546 [1,0,0,1,0,0|1,0,1]=4 2808 B7R1.19 CC1(C(=O)O)CC1 Amb2779924 [1,0,0,1,0,0|1,0,1]=4 2809 B7R1.19 CC1(C(=O)O)CO1 Amb33542864 [1,0,0,1,0,0|0,0,1]=3 2810 B7R1.27 C=C1CC1(C)C=O Amb27838213 [1,0,0,1,0,0|2,0,0]=4 2811 B7R1.27 CC1OC1(C)C=O Amb28071199 [1,0,0,1,0,0|1,0,1]=4 2812 B9R1.35 C=C(Br)C1COC(=O)C1 Amb25707934 [0,0,0,1,0,1|2,0,0]=4 2813 B9R1.35 C=C(C)C1COC(=O)N1 Amb24477743 [0,0,0,1,0,1|2,0,0]=4 2814 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [0,0,0,1,0,1|2,0,0]=4 2815 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [0,0,0,1,0,1|2,0,0]=4 2816 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [0,0,0,1,0,1|2,0,0]=4 2817 B9R1.35 CC(=O)C1CNC(=O)C1 Amb27488585 [0,0,0,1,0,1|2,0,0]=4 2818 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [0,0,0,1,0,1|2,0,0]=4 2819 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [0,0,0,1,0,1|2,0,0]=4 2820 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,0,1|2,0,0]=4 2821 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [0,0,0,1,0,1|2,0,0]=4 2822 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [0,0,0,1,0,1|2,0,0]=4 2823 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [0,0,0,1,0,1|1,0,0]=3 2824 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [0,0,0,1,0,1|2,0,0]=4 2825 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [0,0,0,1,0,1|2,0,0]=4 2826 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [0,0,0,1,0,1|1,0,0]=3 2827 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [0,0,0,1,0,1|1,1,0]=4 2828 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [0,0,0,1,0,1|2,0,0]=4 2829 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [0,0,0,1,0,1|2,0,0]=4 2830 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [0,0,0,1,0,1|2,0,0]=4 2831 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [0,0,0,1,0,1|1,1,0]=4 2832 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [0,0,0,1,0,1|2,0,0]=4 2833 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [0,0,0,1,0,1|1,1,0]=4 2834 B9R1.35 CC1CC(C(=O)O)CO1 Amb25922998 [0,0,0,1,0,1|1,0,1]=4 2835 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CO1 Amb27961253 [0,0,0,1,0,1|1,0,1]=4 2836 B9R1.35 C[C@H](O)[C@@H]1COC(=O)O1 Amb27197946 [0,0,0,1,0,1|1,0,1]=4 2837 B9R1.35 C[C@H](O)[C@H]1COC(=O)C1 Amb27980502 [0,0,0,1,0,1|1,0,1]=4 2838 B9R1.35 N=C1OCC(C(=O)O)S1 Amb27954988 [0,0,0,1,0,1|1,0,0]=3 2839 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [0,0,0,1,0,1|2,0,0]=4 2840 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,0,1|2,0,0]=4 2841 B9R1.35 NC(=O)C1CNC(=O)C1 Amb1803351 [0,0,0,1,0,1|2,0,0]=4 2842 B9R1.35 NC(=O)C1CNC(=O)O1 Amb27200796 [0,0,0,1,0,1|2,0,0]=4 2843 B9R1.35 NC(=O)C1CSC(=O)C1 Amb27837681 [0,0,0,1,0,1|1,1,0]=4 2844 B9R1.35 NC(=O)C1CSC(=O)N1 Amb27595631 [0,0,0,1,0,1|1,1,0]=4 2845 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [0,0,0,1,0,1|2,0,0]=4 2846 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,0,1|2,0,0]=4 2847 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [0,0,0,1,0,1|2,0,0]=4 2848 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [0,0,0,1,0,1|2,0,0]=4 2849 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [0,0,0,1,0,1|2,0,0]=4 2850 B9R1.35 NC1=NC(C(=O)O)CS1 Amb6566424 [0,0,0,1,0,1|1,1,0]=4 2851 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [0,0,0,1,0,1|2,0,0]=4 2852 B9R1.35 NC1=N[C@H](C(=O)O)CS1 Amb27976059 [0,0,0,1,0,1|1,1,0]=4 2853 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [0,0,0,1,0,1|1,0,1]=4 2854 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [0,0,0,1,0,1|0,2,0]=4 2855 B9R1.35 O=C(O)C1CSS(=O)C1 Amb27165800 [0,0,0,1,0,1|1,1,0]=4 2856 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [0,0,0,1,0,1|1,1,0]=4 2857 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [0,0,0,1,0,1|1,0,1]=4 2858 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [0,0,0,1,0,1|1,0,1]=4 2859 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [0,0,0,1,0,1|0,2,0]=4 2860 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [0,0,0,1,0,1|1,0,1]=4 2861 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [0,0,0,1,0,1|1,0,1]=4 2862 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,0,0,1,0,1|1,0,1]=4 2863 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,1,0,1|1,0,1]=4 2864 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,1,0,1|1,0,1]=4 2865 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,0,0,1,0,1|0,0,2]=4 2866 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [0,0,0,1,0,1|1,0,0]=3 2867 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [0,0,0,1,0,1|0,0,0]=2 2868 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [0,0,0,1,0,1|0,1,0]=3 2869 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [0,0,0,1,0,1|2,0,0]=4 2870 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [0,0,0,1,0,1|2,0,0]=4 2871 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [0,0,0,1,0,1|2,0,0]=4 2872 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [0,0,0,1,0,1|2,0,0]=4 2873 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,0,0,1,0,1|1,0,0]=3 2874 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,0,0,1,0,1|1,0,0]=3 2875 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,0,1|1,0,0]=3 2876 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,0,0,1,0,1|1,0,0]=3 2877 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [0,0,0,1,0,1|1,0,1]=4 2878 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [0,0,0,1,0,1|2,0,0]=4 2879 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,0,0,1,0,1|1,0,0]=3 2880 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,0,0,1,0,1|1,0,0]=3 2881 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,0,0,1,0,1|1,0,0]=3 2882 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,0,1|1,0,0]=3 2883 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [0,0,0,1,0,1|1,0,1]=4 2884 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [0,0,0,1,0,1|2,0,0]=4 2885 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,0,0,1,0,1|1,0,0]=3 2886 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,0,0,1,0,1|1,0,0]=3 2887 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,0,1|1,0,0]=3 2888 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [0,0,0,1,0,1|2,0,0]=4 2889 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [0,0,0,1,0,1|2,0,0]=4 2890 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [0,0,0,1,0,1|2,0,0]=4 2891 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [0,0,0,1,0,1|2,0,0]=4 2892 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [0,0,0,1,0,1|2,0,0]=4 2893 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [0,0,0,1,0,1|2,0,0]=4 2894 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,0,0,1,0,1|2,0,0]=4 2895 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [0,0,0,1,0,1|1,0,0]=3 2896 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [0,0,0,1,0,1|0,0,0]=2 2897 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [0,0,0,1,0,1|1,0,0]=3 2898 B9R1.35 O=C1NC(C(=O)Cl)CO1 Amb27484689 [0,0,0,1,0,1|1,0,0]=3 2899 B9R1.35 O=C1NC(C(=O)Cl)CS1 Amb28040993 [0,0,0,1,0,1|1,1,0]=4 2900 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [0,0,0,1,0,1|0,0,0]=2 2901 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [0,0,0,1,0,1|0,1,0]=3 2902 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [0,0,0,1,0,1|1,0,0]=3 2903 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,0,0,1,0,1|1,0,0]=3 2904 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [0,0,0,1,0,1|1,0,0]=3 2905 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [0,0,0,1,0,1|1,0,0]=3 2906 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,0,0,1,0,1|1,0,0]=3 2907 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [0,0,0,1,0,1|1,0,0]=3 2908 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,0,0,1,0,1|1,0,0]=3 2909 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [0,0,0,1,0,1|0,0,0]=2 2910 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [0,0,0,1,0,1|0,1,0]=3 2911 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [0,0,0,1,0,1|0,0,0]=2 2912 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [0,0,0,1,0,1|0,1,0]=3 2913 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,0,0,1,0,1|0,0,0]=2 2914 B9R1.35 O=C1SCC(C(=O)Cl)S1 Amb27966772 [0,0,0,1,0,1|1,1,0]=4 2915 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [0,0,0,1,0,1|0,1,0]=3 2916 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [0,0,0,1,0,1|2,0,0]=4 2917 B9R1.69 CC1=N[C@@H](C)C(=O)OC1 Amb27656381 [0,0,0,1,0,1|2,0,0]=4 2918 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,0,0,1,0,1|2,0,0]=4 2919 B9R1.69 CC1CC(=O)OCC1O Amb27956456 [0,0,0,1,0,1|1,0,1]=4 2920 B9R1.69 CC1NC(=O)CCC1=O Amb27874094 [0,0,0,1,0,1|2,0,0]=4 2921 B9R1.69 CC1NC(=O)CNC1=O Amb24477892 [0,0,0,1,0,1|2,0,0]=4 2922 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,0,0,1,0,1|1,0,0]=3 2923 B9R1.69 CC1OC(=O)C=CC1=O Amb27948593 [0,0,0,1,0,1|2,0,0]=4 2924 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,0,0,1,0,1|1,0,0]=3 2925 B9R1.69 C[C@@H]1NC(=O)CNC1=O Amb22233064 [0,0,0,1,0,1|2,0,0]=4 2926 B9R1.69 C[C@@H]1NC(=O)COC1=O Amb28059067 [0,0,0,1,0,1|1,0,0]=3 2927 B9R1.69 C[C@H]1NC(=O)CNC1=O Amb25726602 [0,0,0,1,0,1|2,0,0]=4 2928 B9R1.69 C[C@H]1OC(=O)C=CC1=O Amb28351021 [0,0,0,1,0,1|2,0,0]=4 2929 B9R1.152 C=C1CC(C)(C(=O)O)C1 Amb25887446 [0,0,0,1,0,1|2,0,0]=4 2930 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,0,0,1,0,1|1,0,0]=3 2931 B9R1.152 CC1(C(=O)O)CC(O)C1 Amb33361249 [0,0,0,1,0,1|1,0,1]=4 2932 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,0,0,1,0,1|2,0,0]=4 2933 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [0,0,0,1,0,1|2,0,0]=4 2934 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [0,0,0,1,0,1|2,0,0]=4 2935 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [0,0,0,1,0,1|2,0,0]=4 2936 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [0,0,0,1,0,1|2,0,0]=4 2937 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [0,0,0,1,0,1|2,0,0]=4 2938 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [0,0,0,1,0,1|1,0,1]=4 2939 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [0,0,0,1,0,1|1,0,1]=4 2940 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [0,0,0,1,0,1|1,0,1]=4 2941 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,0,1|1,0,0]=3 2942 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [0,0,0,1,0,1|2,0,0]=4 2943 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [0,0,0,1,0,1|2,0,0]=4 2944 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [0,0,0,1,0,1|1,0,0]=3 2945 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [0,0,0,1,0,1|1,0,0]=3 2946 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [0,0,0,1,0,1|1,0,0]=3 2947 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [0,0,0,1,0,1|1,0,1]=4 2948 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [0,0,0,1,0,1|1,0,0]=3 2949 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,1|0,0,0]=2 2950 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [0,0,0,1,0,1|1,0,1]=4 2951 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [0,0,0,1,0,1|1,0,0]=3 2952 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,0,0,1,0,1|0,0,0]=2 2953 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [0,0,0,1,0,1|1,0,1]=4 2954 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [0,0,0,1,0,1|1,0,0]=3 2955 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,0,0,1,0,1|0,0,0]=2 2956 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [0,0,0,1,0,1|1,0,1]=4 2957 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,0,0,1,0,1|0,0,0]=2 2958 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [0,0,0,1,0,1|1,0,0]=3 2959 B9R1.164 CC1(O)CC(C(=O)O)C1 Amb33545096 [0,0,0,1,0,1|1,0,1]=4 2960 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 Amb23440037 [0,0,0,1,0,1|1,0,1]=4 2961 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 Amb23440038 [0,0,0,1,0,1|1,0,1]=4 2962 B9R1.164 O=C(O)C1CC(O)(O)C1 Amb27490909 [0,0,0,1,0,1|0,0,2]=4 2963 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [0,0,0,1,0,1|1,0,0]=3 2964 B9R1.164 O=C(O)C1CS(=O)(=O)C1 Amb8439029 [0,0,0,1,0,1|1,0,1]=4 2965 B9R1.3 CC1C(=O)CCCC1=O Amb3993683 [0,1,0,1,0,0|2,0,0]=4 2966 B9R1.3 CC1C(=O)CCNC1=O Amb25220145 [0,1,0,1,0,0|2,0,0]=4 2967 B9R1.3 CC1C(=O)CSCC1=O Amb27199104 [0,1,0,1,0,0|1,1,0]=4 2968 B9R1.37 CC1=C(C)C(=O)OC1=O Amb2778195 [0,1,0,1,0,0|1,0,1]=4 2969 B9R1.37 CC1=C(C)C(O)OC1=O Amb17778789 [0,1,0,1,0,0|1,0,1]=4 2970 B9R1.37 CC1=C(O)C(=O)CC1=O Amb26341802 [0,1,0,1,0,0|1,0,1]=4 2971 B9R1.37 CC1=C(O)C(C)OC1=O Amb26075854 [0,1,0,1,0,0|1,0,1]=4 2972 B9R1.37 CC1=C(O)C(O)C(=O)O1 Amb25769590 [0,1,0,1,0,0|2,0,0]=4 2973 B9R1.37 CC1=C(O)CC(O)C1=O Amb27948592 [0,1,0,1,0,0|1,0,1]=4 2974 B9R1.37 CC1C(=O)CC(O)C1=O Amb27431705 [0,1,0,1,0,0|1,0,0]=3 2975 B9R1.37 CC1C(=O)OC(=O)C1C Amb27266073 [0,1,0,1,0,0|1,0,1]=4 2976 B9R1.37 CC1C(=O)OC(=O)[C@H]1N Amb27664717 [0,1,0,1,0,0|1,0,1]=4 2977 B9R1.37 CC1CC(=O)C(C)C1=O Amb27838774 [0,1,0,1,0,0|2,0,0]=4 2978 B9R1.37 CC1NC(=O)C(C)C1=O Amb27252155 [0,1,0,1,0,0|2,0,0]=4 2979 B9R1.37 CC1OC(=O)C(Br)C1=O Amb27401885 [0,1,0,1,0,0|2,0,0]=4 2980 B9R1.37 CC1OC(=O)C(O)C1=O Amb27222152 [0,1,0,1,0,0|2,0,0]=4 2981 B9R1.37 CN1C(=O)CC(O)C1=O Amb22388645 [0,1,0,1,0,0|2,0,0]=4 2982 B9R1.37 CN1C(=O)C[C@@H](O)C1=O Amb4451252 [0,1,0,1,0,0|2,0,0]=4 2983 B9R1.37 CN1C(=O)C[C@H](O)C1=O Amb3939670 [0,1,0,1,0,0|2,0,0]=4 2984 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C Amb24183510 [0,1,0,1,0,0|2,0,0]=4 2985 B9R1.37 C[C@H]1C(=O)CC(=O)[C@H]1O Amb28074639 [0,1,0,1,0,0|1,0,1]=4 2986 B9R1.37 C[C@H]1C(=O)OC(=O)N1C Amb24528343 [0,1,0,1,0,0|2,0,0]=4 2987 B9R1.37 C[C@H]1OC(=O)C(Br)C1=O Amb27865464 [0,1,0,1,0,0|2,0,0]=4 2988 B9R1.37 O=C1OC(O)=C(Cl)C1Cl Amb22015300 [0,1,0,1,0,0|2,0,0]=4 2989 B9R1.41 C=C1COCC1C(C)=O Amb26910046 [0,1,0,1,0,0|2,0,0]=4 2990 B9R1.41 CC(=O)C1=CCOC1=O Amb26892877 [0,1,0,1,0,0|1,0,1]=4 2991 B9R1.41 CC(=O)C1CCCC1=O Amb6600481 [0,1,0,1,0,0|2,0,0]=4 2992 B9R1.41 CC(=O)C1CCNC1=O Amb9782651 [0,1,0,1,0,0|2,0,0]=4 2993 B9R1.41 CC(=O)C1CCOC1=O Amb2404781 [0,1,0,1,0,0|1,0,0]=3 2994 B9R1.41 CC(=O)C1CON=C1C Amb27771382 [0,1,0,1,0,0|2,0,0]=4 2995 B9R1.41 CC(=O)C1CSCC1=O Amb27838737 [0,1,0,1,0,0|1,1,0]=4 2996 B9R1.41 CC(=O)N1CCOC1=O Amb9825922 [0,1,0,1,0,0|2,0,0]=4 2997 B9R1.41 CC(=O)[C@H]1CCOC1=O Amb27453388 [0,1,0,1,0,0|1,0,0]=3 2998 B9R1.41 CC(O)C1CCOC1=O Amb27755525 [0,1,0,1,0,0|1,0,1]=4 2999 B9R1.41 CC1=C(C(=O)O)CCO1 Amb26326654 [0,1,0,1,0,0|1,0,1]=4 3000 B9R1.41 CC1OCCC1C(=O)O Amb33548509 [0,1,0,1,0,0|1,0,1]=4 3001 B9R1.41 CC1OCOC1C(=O)O Amb27828880 [0,1,0,1,0,0|1,0,1]=4 3002 B9R1.41 C[C@@H](O)[C@@H]1CCOC1=O Amb27488640 [0,1,0,1,0,0|1,0,1]=4 3003 B9R1.41 C[C@@H]1COC[C@H]1C(=O)O Amb28286229 [0,1,0,1,0,0|1,0,1]=4 3004 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O Amb22886528 [0,1,0,1,0,0|1,0,1]=4 3005 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O Amb25992190 [0,1,0,1,0,0|1,0,1]=4 3006 B9R1.41 C[C@H](O)[C@H]1CCOC1=O Amb27618909 [0,1,0,1,0,0|1,0,1]=4 3007 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O Amb25253338 [0,1,0,1,0,0|1,0,1]=4 3008 B9R1.41 C[C@H]1OCNC1C(=O)O Amb28057581 [0,1,0,1,0,0|1,0,1]=4 3009 B9R1.41 C[C@H]1OCN[C@@H]1C(=O)O Amb27782646 [0,1,0,1,0,0|1,0,1]=4 3010 B9R1.41 C[C@H]1OCO[C@@H]1C(=O)O Amb27782406 [0,1,0,1,0,0|1,0,1]=4 3011 B9R1.41 NC(=O)C1CCCC1=O Amb16233729 [0,1,0,1,0,0|2,0,0]=4 3012 B9R1.41 NC1COCC1C(=O)O Amb24709230 [0,1,0,1,0,0|1,0,1]=4 3013 B9R1.41 NS(=O)C1CCOC1=O Amb32720450 [0,1,0,1,0,0|2,0,0]=4 3014 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O Amb24078777 [0,1,0,1,0,0|1,0,1]=4 3015 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O Amb33330248 [0,1,0,1,0,0|1,0,1]=4 3016 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O Amb24605467 [0,1,0,1,0,0|1,0,1]=4 3017 B9R1.41 O=C(Cl)C1CCCC1=O Amb21961757 [0,1,0,1,0,0|2,0,0]=4 3018 B9R1.41 O=C(Cl)N1CCOC1=O Amb24478587 [0,1,0,1,0,0|2,0,0]=4 3019 B9R1.41 O=C(O)C1=CONC1=O Amb18832582 [0,1,0,1,0,0|0,0,2]=4 3020 B9R1.41 O=C(O)C1CCCC1=O Amb18642571 [0,1,0,1,0,0|1,0,0]=3 3021 B9R1.41 O=C(O)C1CCCC1O Amb19148040 [0,1,0,1,0,0|1,0,1]=4 3022 B9R1.41 O=C(O)C1CCNC1=O Amb18642691 [0,1,0,1,0,0|1,0,0]=3 3023 B9R1.41 O=C(O)C1CCOC1=O Amb17593365 [0,1,0,1,0,0|0,0,0]=2 3024 B9R1.41 O=C(O)C1CNCC1O Amb22886381 [0,1,0,1,0,0|1,0,1]=4 3025 B9R1.41 O=C(O)C1CNCC1O Amb26026738 [0,1,0,1,0,0|1,0,1]=4 3026 B9R1.41 O=C(O)C1COCC1O Amb27270738 [0,1,0,1,0,0|0,0,2]=4 3027 B9R1.41 O=C(O)C1CSCC1=O Amb16230660 [0,1,0,1,0,0|0,1,0]=3 3028 B9R1.41 O=C(O)C1CSCC1O Amb18831363 [0,1,0,1,0,0|0,1,1]=4 3029 B9R1.41 O=C(O)C1NCCC1O Amb22387784 [0,1,0,1,0,0|1,0,1]=4 3030 B9R1.41 O=C(O)C1NCC[C@@H]1O Amb34913313 [0,1,0,1,0,0|1,0,1]=4 3031 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O Amb27186915 [0,1,0,1,0,0|1,0,1]=4 3032 B9R1.41 O=C(O)[C@@H]1CNC[C@H]1O Amb24120417 [0,1,0,1,0,0|1,0,1]=4 3033 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb22230426 [0,1,0,1,0,0|1,0,1]=4 3034 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb33801217 [0,1,0,1,0,0|1,0,1]=4 3035 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb33801367 [0,1,0,1,0,0|1,0,1]=4 3036 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Amb22746713 [0,1,0,1,0,0|1,0,1]=4 3037 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Amb24183557 [0,1,0,1,0,0|1,0,1]=4 3038 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Amb27437088 [0,1,0,1,0,0|1,0,1]=4 3039 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Amb22747315 [0,1,0,1,0,0|1,0,1]=4 3040 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O Amb27421639 [0,1,0,1,0,0|1,0,1]=4 3041 B9R1.41 O=C(O)[C@H]1CNC[C@H]1O Amb27818119 [0,1,0,1,0,0|1,0,1]=4 3042 B9R1.41 O=C(O)[C@H]1NCCC1O Amb10604192 [0,1,0,1,0,0|1,0,1]=4 3043 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb24055327 [0,1,0,1,0,0|1,0,1]=4 3044 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb34154004 [0,1,0,1,0,0|1,0,1]=4 3045 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb8515204 [0,1,0,1,0,0|1,0,1]=4 3046 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb22746928 [0,1,0,1,0,0|1,0,1]=4 3047 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb23439285 [0,1,0,1,0,0|1,0,1]=4 3048 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb24183503 [0,1,0,1,0,0|1,0,1]=4 3049 B9R1.41 O=C1OCCC1S(=O)Cl Amb32720449 [0,1,0,1,0,0|2,0,0]=4 3050 B9R1.41 O=C1OCCC1S(=O)[O-] Amb32754989 [0,1,0,1,0,0|1,0,1]=4 3051 B9R1.81 COC(=O)C1CCC1=O Amb26937068 [0,1,0,1,0,0|1,0,0]=3 3052 B9R1.81 COC(=O)C1CNC1=O Amb24665696 [0,1,0,1,0,0|1,0,0]=3 3053 B9R1.81 COC(=O)C1NCC1=O Amb28208249 [0,1,0,1,0,0|2,0,0]=4 3054 B9R1.93 CC1(C(=O)O)CC1CO Amb24559345 [0,1,0,1,0,0|1,0,1]=4 3055 B9R1.93 C[C@@]1(C(=O)O)C[C@@H]1CO Amb33098403 [0,1,0,1,0,0|1,0,1]=4 3056 B9R1.93 C[C@@]1(C(=O)O)C[C@H]1CO Amb33098404 [0,1,0,1,0,0|1,0,1]=4 3057 B9R1.93 C[C@]1(C(=O)O)C[C@@H]1CO Amb33098423 [0,1,0,1,0,0|1,0,1]=4 3058 B9R1.96 COC1CCC1C(=O)O Amb26516125 [0,1,0,1,0,0|1,0,1]=4 3059 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O Amb34912847 [0,1,0,1,0,0|1,0,1]=4 3060 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O Amb26636288 [0,1,0,1,0,0|1,0,1]=4 3061 B9R1.96 O=C(O)C1CCC1CO Amb24340315 [0,1,0,1,0,0|1,0,1]=4 3062 B9R1.110 CC(C(=O)O)=C1COC1 Amb35585359 [0,1,0,1,0,0|1,0,1]=4 3063 B9R1.110 CC(C(=O)O)C1CCO1 Amb26595674 [0,1,0,1,0,0|1,0,1]=4 3064 B9R1.110 CC(C(=O)O)C1COC1 Amb33313543 [0,1,0,1,0,0|1,0,1]=4 3065 B9R1.110 C[C@@H](C(=O)O)C1COC1 Amb33727764 [0,1,0,1,0,0|1,0,1]=4 3066 B9R1.110 C[C@H](C(=O)O)C1COC1 Amb33749535 [0,1,0,1,0,0|1,0,1]=4 3067 B9R1.111 CC(C(=O)O)C1(O)CC1 Amb27875945 [0,1,0,1,0,0|1,0,1]=4 3068 B9R1.132 CC1C(=O)OCC1CO Amb27853141 [0,1,0,1,0,0|1,0,1]=4 3069 B9R1.132 CCC1=NOC(=O)C1C Amb27786889 [0,1,0,1,0,0|2,0,0]=4 3070 B9R1.132 COC1=C(C)C(=O)OC1 Amb28255435 [0,1,0,1,0,0|1,0,1]=4 3071 B9R1.132 C[C@@H]1C(=O)OC[C@H]1CO Amb28065887 [0,1,0,1,0,0|1,0,1]=4 3072 B9R1.159 NC1(C(=O)O)CCC1O Amb27482724 [0,1,0,1,0,0|1,0,1]=4 3073 B9R1.159 N[C@]1(C(=O)O)CC[C@@H]1O Amb28058284 [0,1,0,1,0,0|1,0,1]=4 3074 B9R1.27 CCC1=C(O)COC1=O Amb27483102 [0,1,0,1,0,0|1,0,1]=4 3075 B9R1.27 CCC1C(=O)CCC1=O Amb8513847 [0,1,0,1,0,0|2,0,0]=4 3076 B9R1.27 CCC1C(=O)ON=C1C Amb27449167 [0,1,0,1,0,0|2,0,0]=4 3077 B9R1.27 CC[C@@H]1C(=O)OC[C@H]1O Amb27456703 [0,1,0,1,0,0|1,0,1]=4 3078 B9R1.27 COC1C(=O)OCC1O Amb27237829 [0,1,0,1,0,0|1,0,1]=4 3079 B9R1.27 COC1C(=O)ON=C1C Amb27956489 [0,1,0,1,0,0|2,0,0]=4 3080 B9R1.27 O=C1COC(=O)N1CCl Amb27243875 [0,1,0,1,0,0|2,0,0]=4 3081 B9R1.27 O=C1COC(=O)N1CO Amb26973184 [0,1,0,1,0,0|2,0,0]=4 3082 B9R1.27 O=C1OCC(O)C1CO Amb27456568 [0,1,0,1,0,0|1,0,1]=4 3083 B9R1.27 O=C1OC[C@@H](O)[C@@H]1CO Amb27484769 [0,1,0,1,0,0|1,0,1]=4 3084 B9R1.52 C=C1CC(N)C1C(=O)O Amb27590177 [0,1,0,1,0,0|2,0,0]=4 3085 B9R1.52 CC1=CC(C)C1C(=O)O Amb28281140 [0,1,0,1,0,0|2,0,0]=4 3086 B9R1.52 CC1CC(O)C1C(=O)O Amb28076807 [0,1,0,1,0,0|1,0,1]=4 3087 B9R1.52 C[C@H]1C[C@@H](O)[C@H]1C(=O)O Amb28057126 [0,1,0,1,0,0|1,0,1]=4 3088 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [0,1,0,1,0,0|1,0,1]=4 3089 B9R1.168 C=C(C)C1(C(=O)O)CC1 Amb25356431 [0,1,0,1,0,0|2,0,0]=4 3090 B9R1.168 CC(=O)C1(C(=O)O)CC1 Amb16233343 [0,1,0,1,0,0|1,0,0]=3 3091 B9R1.168 CC(=O)C1(C(C)=O)CC1 Amb17836206 [0,1,0,1,0,0|2,0,0]=4 3092 B9R1.168 CC(=O)C1(C(N)=O)CC1 Amb25709592 [0,1,0,1,0,0|2,0,0]=4 3093 B9R1.168 NC(=O)C1(C(=O)O)CC1 Amb2685732 [0,1,0,1,0,0|1,0,0]=3 3094 B9R1.168 NC(=O)C1(C(N)=O)CC1 Amb10808792 [0,1,0,1,0,0|2,0,0]=4 3095 B9R1.168 O=C(Cl)C1(C(=O)Cl)CC1 Amb25991279 [0,1,0,1,0,0|2,0,0]=4 3096 B9R1.168 O=C(O)C1(C(=O)Cl)CC1 Amb27154675 [0,1,0,1,0,0|1,0,0]=3 3097 B9R1.168 O=C(O)C1(C(=O)O)CC1 Amb535072 [0,1,0,1,0,0|0,0,0]=2 3098 B9R1.106 CC1(C)C(=O)CCC1=O Amb9782641 [0,1,0,1,0,0|2,0,0]=4 3099 B9R1.106 CC1(C)C(=O)CNC1=O Amb26984879 [0,1,0,1,0,0|2,0,0]=4 3100 B9R1.106 CC1(C)C(=O)COC1=O Amb26034945 [0,1,0,1,0,0|1,0,0]=3 3101 B9R1.106 CC1(C)C(=O)CSC1=O Amb28253746 [0,1,0,1,0,0|1,1,0]=4 3102 B9R1.106 CC1(C)C(=O)ON=C1N Amb32671138 [0,1,0,1,0,0|2,0,0]=4 3103 B9R1.106 CC1(C)C(=O)OOC1=O Amb17779665 [0,1,0,1,0,0|0,0,0]=2 3104 B9R1.106 CC1(O)C(=O)OCC1O Amb25182892 [0,1,0,1,0,0|1,0,1]=4 3105 B9R1.106 CC1=NOC(=O)C1(C)C Amb30033506 [0,1,0,1,0,0|2,0,0]=4 3106 B9R1.106 C[C@@]1(Cl)C(=O)OC[C@H]1O Amb27472572 [0,1,0,1,0,0|1,0,1]=4 3107 B9R1.106 C[C@@]1(O)C(=O)OCC1O Amb28123700 [0,1,0,1,0,0|1,0,1]=4 3108 B9R1.106 C[C@@]1(O)C(=O)OC[C@@H]1O Amb27207785 [0,1,0,1,0,0|1,0,1]=4 3109 B9R1.106 C[C@]1(O)C(=O)OC[C@H]1O Amb22745011 [0,1,0,1,0,0|1,0,1]=4 3110 B9R1.106 O=C1COC(=O)C1(Cl)Cl Amb28201024 [0,1,0,1,0,0|2,0,0]=4 3111 B9R1.165 C[C@@](N)(C(=O)O)[C@@H]1CO1 Amb27215310 [0,1,0,1,0,0|1,0,1]=4 3112 B9R1.165 C[C@@](N)(C(=O)O)[C@H]1CO1 Amb28346272 [0,1,0,1,0,0|1,0,1]=4 3113 B9R2.29 O=C1CC2NC(=O)C12 Amb27801485 [0,0,0,2,0,0|2,0,0]=4 3114 B9R2.29 O=C1C[C@@H]2NC(=O)[C@H]12 Amb28388801 [0,0,0,2,0,0|2,0,0]=4 3115 B9R2.29 O=C1C[C@H]2NC(=O)[C@@H]12 Amb27458936 [0,0,0,2,0,0|2,0,0]=4 3116 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [1,0,0,0,0,1|2,0,0]=4 3117 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,0,0,0,0,1|2,0,0]=4 3118 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [1,0,0,0,0,1|2,0,0]=4 3119 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [1,0,0,0,0,1|2,0,0]=4 3120 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [1,0,0,0,0,1|2,0,0]=4 3121 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [1,0,0,0,0,1|1,0,1]=4 3122 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,0,0,0,0,1|1,0,0]=3 3123 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [1,0,0,0,0,1|2,0,0]=4 3124 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [1,0,0,0,0,1|2,0,0]=4 3125 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [1,0,0,0,0,1|1,1,0]=4 3126 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [1,0,0,0,0,1|2,0,0]=4 3127 B7R0.6 CC(=O)COC(C)=O Amb8517567 [1,0,0,0,0,1|2,0,0]=4 3128 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,0,0,0,0,1|1,0,0]=3 3129 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [1,0,0,0,0,1|2,0,0]=4 3130 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [1,0,0,0,0,1|2,0,0]=4 3131 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,0,0,0,0,1|1,0,0]=3 3132 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [1,0,0,0,0,1|2,0,0]=4 3133 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [1,0,0,0,0,1|2,0,0]=4 3134 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [1,0,0,0,0,1|2,0,0]=4 3135 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [1,0,0,0,0,1|1,0,1]=4 3136 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [1,0,0,0,0,1|1,0,1]=4 3137 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [1,0,0,0,0,1|1,1,0]=4 3138 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [1,0,0,0,0,1|1,1,0]=4 3139 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [1,0,0,0,0,1|2,0,0]=4 3140 B7R0.6 CC(O)CCC(=O)O Amb18294804 [1,0,0,0,0,1|1,0,1]=4 3141 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [1,0,0,0,0,1|2,0,0]=4 3142 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [1,0,0,0,0,1|2,0,0]=4 3143 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [1,0,0,0,0,1|1,0,1]=4 3144 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [1,0,0,0,0,1|2,0,0]=4 3145 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [1,0,0,0,0,1|2,0,0]=4 3146 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [1,0,0,0,0,1|2,0,0]=4 3147 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [1,0,0,0,0,1|2,0,0]=4 3148 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [1,0,0,0,0,1|2,0,0]=4 3149 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [1,0,0,0,0,1|1,0,0]=3 3150 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [1,0,0,0,0,1|2,0,0]=4 3151 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [1,0,0,0,0,1|2,0,0]=4 3152 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [1,0,0,0,0,1|1,0,0]=3 3153 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [1,0,0,0,0,1|1,0,1]=4 3154 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [1,0,0,0,0,1|1,0,1]=4 3155 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [1,0,0,0,0,1|1,0,1]=4 3156 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [1,0,0,0,0,1|1,1,0]=4 3157 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [1,0,0,0,0,1|1,1,0]=4 3158 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [1,0,0,0,0,1|2,0,0]=4 3159 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [1,0,0,0,0,1|0,0,1]=3 3160 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [1,0,0,0,0,1|2,0,0]=4 3161 B7R0.6 O=C(O)CCB(O)O Amb24640288 [1,0,0,0,0,1|1,0,1]=4 3162 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [1,0,0,0,0,1|0,0,0]=2 3163 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [1,0,0,0,0,1|0,0,0]=2 3164 B7R0.6 O=C(O)CCP(O)O Amb27424479 [1,0,0,0,0,1|1,0,1]=4 3165 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [1,0,0,0,0,1|1,0,0]=3 3166 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [1,0,0,0,0,1|1,0,1]=4 3167 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [1,0,0,0,0,1|1,0,1]=4 3168 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [1,0,0,0,0,1|0,1,0]=3 3169 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [1,0,0,0,0,1|1,0,1]=4 3170 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [1,0,0,0,0,1|1,0,0]=3 3171 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [1,0,0,0,0,1|0,0,1]=3 3172 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [1,0,0,0,0,1|1,0,1]=4 3173 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [1,0,0,0,0,1|0,0,1]=3 3174 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [1,0,0,0,0,1|0,0,1]=3 3175 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [1,0,0,0,0,1|0,1,1]=4 3176 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [1,0,0,0,0,1|0,0,2]=4 3177 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [1,0,0,0,0,1|0,0,2]=4 3178 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [1,0,0,0,0,1|0,0,2]=4 3179 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [1,0,0,0,0,1|0,0,2]=4 3180 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [1,0,0,0,0,1|0,0,2]=4 3181 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [1,0,0,0,0,1|0,0,2]=4 3182 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [1,0,0,0,0,1|0,0,2]=4 3183 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [1,0,0,0,0,1|1,0,0]=3 3184 B9R0.7 C=C(Br)CNC(C)C(=O)O Amb18303282 [0,0,0,0,0,2|2,0,0]=4 3185 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O Amb27174841 [0,0,0,0,0,2|2,0,0]=4 3186 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,0,0,0,0,2|2,0,0]=4 3187 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,0,0,0,0,2|2,0,0]=4 3188 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,0,0,0,0,2|2,0,0]=4 3189 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,0,0,0,0,2|0,0,2]=4 3190 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,0,0,0,0,2|0,0,1]=3 3191 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,0,0,0,0,2|1,0,0]=3 3192 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,2|2,0,0]=4 3193 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,0,0,0,0,2|2,0,0]=4 3194 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,0,0,0,0,2|2,0,0]=4 3195 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,0,0,0,0,2|2,0,0]=4 3196 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,0,0,0,0,2|2,0,0]=4 3197 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,0,0,0,0,2|2,0,0]=4 3198 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,0,0,0,0,2|2,0,0]=4 3199 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,0,0,0,0,2|2,0,0]=4 3200 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,0,0,0,0,2|2,0,0]=4 3201 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,0,0,0,0,2|1,0,0]=3 3202 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,0,0,0,0,2|2,0,0]=4 3203 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,0,0,0,0,2|2,0,0]=4 3204 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,0,0,0,0,2|2,0,0]=4 3205 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,0,0,0,0,2|1,0,0]=3 3206 B9R0.7 CC(=O)NOC(C)C(N)=O Amb28206966 [0,0,0,0,0,2|2,0,0]=4 3207 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,0,0,0,0,2|1,0,0]=3 3208 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,0,0,0,0,2|2,0,0]=4 3209 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,0,0,0,0,2|2,0,0]=4 3210 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,0,0,0,0,2|2,0,0]=4 3211 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,0,0,0,0,2|2,0,0]=4 3212 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,0,0,0,0,2|1,0,0]=3 3213 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,0,0,0,0,2|2,0,0]=4 3214 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,0,0,0,0,2|2,0,0]=4 3215 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,0,0,0,0,2|2,0,0]=4 3216 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,0,0,0,0,2|1,0,0]=3 3217 B9R0.7 CC(=O)O\N=C(/C)C(=O)O Amb27473311 [0,0,0,0,0,2|1,0,1]=4 3218 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,0,0,0,0,2|1,0,0]=3 3219 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,0,2|2,0,0]=4 3220 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,0,0,0,0,2|2,0,0]=4 3221 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,0,0,0,0,2|2,0,0]=4 3222 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,0,0,0,0,2|2,0,0]=4 3223 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,0,0,0,0,2|1,0,0]=3 3224 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,0,2|2,0,0]=4 3225 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,0,0,0,0,2|1,0,0]=3 3226 B9R0.7 CC(C#CC(=O)O)[C@@H](C)O Amb28423499 [0,0,0,0,0,2|1,0,1]=4 3227 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,0,0,0,0,2|2,0,0]=4 3228 B9R0.7 CC(C)=NOC(C)C(=O)O Amb9814220 [0,0,0,0,0,2|2,0,0]=4 3229 B9R0.7 CC(C)=NO[C@H](C)C(=O)O Amb27831924 [0,0,0,0,0,2|2,0,0]=4 3230 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,0,0,0,0,2|0,0,0]=2 3231 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,0,0,0,0,2|2,0,0]=4 3232 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,0,0,0,0,2|1,0,1]=4 3233 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,0,0,0,0,2|2,0,0]=4 3234 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,0,0,0,0,2|1,0,0]=3 3235 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,0,0,0,0,2|2,0,0]=4 3236 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,0,0,0,0,2|0,0,0]=2 3237 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,0,0,0,0,2|0,0,0]=2 3238 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,0,0,0,0,2|1,0,0]=3 3239 B9R0.7 CC(NC[C@@H](C)O)C(=O)O Amb27617222 [0,0,0,0,0,2|1,0,1]=4 3240 B9R0.7 CC(NC[C@H](C)O)C(=O)O Amb27248684 [0,0,0,0,0,2|1,0,1]=4 3241 B9R0.7 CC(NNC(N)=O)C(=O)O Amb26391983 [0,0,0,0,0,2|1,0,0]=3 3242 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,0,0,0,0,2|1,0,1]=4 3243 B9R0.7 CC(O)C(C)NCC(=O)O Amb27444950 [0,0,0,0,0,2|1,0,1]=4 3244 B9R0.7 CC(O)C(C)\C=C\C(=O)O Amb27759324 [0,0,0,0,0,2|1,0,1]=4 3245 B9R0.7 CC(O)CNC(C)C(=O)O Amb18523859 [0,0,0,0,0,2|1,0,1]=4 3246 B9R0.7 CC(O)CN[C@H](C)C(=O)O Amb28246243 [0,0,0,0,0,2|1,0,1]=4 3247 B9R0.7 CC(O)CO[C@@H](C)C(=O)O Amb27273395 [0,0,0,0,0,2|1,0,1]=4 3248 B9R0.7 CC(O)\C=C\C(C)C(=O)O Amb28246267 [0,0,0,0,0,2|1,0,1]=4 3249 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,0,0,0,0,2|0,0,0]=2 3250 B9R0.7 CC(SCC(N)=O)C(N)=O Amb27184474 [0,0,0,0,0,2|2,0,0]=4 3251 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [0,0,0,0,0,2|2,0,0]=4 3252 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,0,0,0,0,2|0,0,0]=2 3253 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,0,0,0,0,2|1,0,1]=4 3254 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,0,0,0,0,2|1,0,0]=3 3255 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,0,0,0,0,2|0,0,0]=2 3256 B9R0.7 C[C@@H](O)[C@H](C)C#CC(=O)O Amb27831855 [0,0,0,0,0,2|1,0,1]=4 3257 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,0,0,0,0,2|0,0,0]=2 3258 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,0,0,0,0,2|1,0,1]=4 3259 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,0,0,0,0,2|1,0,0]=3 3260 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,0,0,0,0,2|0,0,0]=2 3261 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,0,0,0,0,2|0,0,0]=2 3262 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,0,0,0,0,2|1,0,0]=3 3263 B9R0.7 C[C@H](O)[C@@H](C)\C=C\C(=O)O Amb28239463 [0,0,0,0,0,2|1,0,1]=4 3264 B9R0.7 C[C@H](O)\C=C\[C@@H](C)C(=O)O Amb27617100 [0,0,0,0,0,2|1,0,1]=4 3265 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,0,0,0,0,2|0,0,1]=3 3266 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,0,0,0,0,2|0,0,1]=3 3267 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,0,0,0,0,2|0,0,1]=3 3268 B9R0.7 C\C(=N/NC(N)=O)C(=O)O Amb9901909 [0,0,0,0,0,2|1,0,1]=4 3269 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,0,0,0,0,2|2,0,0]=4 3270 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,0,0,0,0,2|2,0,0]=4 3271 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,0,0,0,0,2|2,0,0]=4 3272 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,0,0,0,0,2|2,0,0]=4 3273 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,0,0,0,0,2|2,0,0]=4 3274 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,0,0,0,0,2|2,0,0]=4 3275 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,0,0,0,0,2|2,0,0]=4 3276 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,0,0,0,0,2|2,0,0]=4 3277 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,0,0,0,0,2|2,0,0]=4 3278 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,0,0,0,0,2|2,0,0]=4 3279 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,0,0,0,0,2|2,0,0]=4 3280 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,0,0,0,0,2|2,0,0]=4 3281 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,0,0,0,0,2|2,0,0]=4 3282 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,0,0,0,0,2|2,0,0]=4 3283 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,0,0,0,0,2|2,0,0]=4 3284 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,0,0,0,0,2|2,0,0]=4 3285 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,0,0,0,0,2|2,0,0]=4 3286 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,0,0,0,0,2|2,0,0]=4 3287 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,0,0,0,0,2|2,0,0]=4 3288 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,0,0,0,0,2|1,0,0]=3 3289 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,0,0,0,0,2|1,0,0]=3 3290 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,0,0,0,0,2|1,0,1]=4 3291 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,0,0,0,0,2|1,0,0]=3 3292 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,0,0,0,0,2|1,0,0]=3 3293 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,0,0,0,0,2|1,0,0]=3 3294 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,0,0,0,0,2|1,0,0]=3 3295 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,0,0,0,0,2|1,0,1]=4 3296 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,0,0,0,0,2|1,1,0]=4 3297 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,0,0,0,0,2|2,0,0]=4 3298 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,0,0,0,0,2|2,0,0]=4 3299 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,0,0,0,0,2|1,0,0]=3 3300 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,0,0,0,0,2|1,0,0]=3 3301 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,2|1,0,1]=4 3302 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,0,0,0,0,2|1,0,1]=4 3303 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,0,0,0,0,2|1,0,1]=4 3304 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,0,0,0,0,2|1,0,0]=3 3305 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,0,0,0,0,2|1,0,0]=3 3306 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,0,0,0,0,2|1,0,0]=3 3307 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,0,0,0,0,2|1,0,0]=3 3308 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,0,0,0,0,2|1,0,0]=3 3309 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,0,0,0,0,2|1,0,0]=3 3310 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,0,0,0,0,2|1,0,0]=3 3311 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,0,0,0,0,2|1,0,0]=3 3312 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,0,0,0,0,2|1,0,1]=4 3313 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,0,0,0,0,2|1,0,1]=4 3314 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,0,0,0,0,2|1,0,1]=4 3315 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,0,0,0,0,2|2,0,0]=4 3316 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,0,0,0,0,2|1,0,1]=4 3317 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [0,0,0,0,0,2|2,0,0]=4 3318 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,0,0,0,0,2|1,0,0]=3 3319 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [0,0,0,0,0,2|2,0,0]=4 3320 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,0,0,0,0,2|1,0,0]=3 3321 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [0,0,0,0,0,2|2,0,0]=4 3322 B9R0.53 CC(=O)NC(C)NC(C)=O Amb4035096 [0,0,0,0,0,2|2,0,0]=4 3323 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [0,0,0,0,0,2|2,0,0]=4 3324 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,0,0,0,0,2|1,0,0]=3 3325 B9R0.53 CC(=O)OC(C)OC(C)=O Amb8516628 [0,0,0,0,0,2|2,0,0]=4 3326 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,0,0,0,0,2|1,0,0]=3 3327 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,0,0,0,0,2|1,0,0]=3 3328 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,0,0,0,0,2|2,0,0]=4 3329 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,0,0,0,0,2|0,0,0]=2 3330 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [0,0,0,0,0,2|2,0,0]=4 3331 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,0,0,0,0,2|1,0,0]=3 3332 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,0,0,0,0,2|2,0,0]=4 3333 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,0,0,0,0,2|1,0,0]=3 3334 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,0,0,0,0,2|1,0,0]=3 3335 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,0,0,0,0,2|0,0,1]=3 3336 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,0,0,0,0,2|0,0,1]=3 3337 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,0,0,0,0,2|2,0,0]=4 3338 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,0,0,0,0,2|2,0,0]=4 3339 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,0,0,0,0,2|1,0,0]=3 3340 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,0,0,0,0,2|1,0,0]=3 3341 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,0,0,0,0,2|2,0,0]=4 3342 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,0,0,0,0,2|1,0,1]=4 3343 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,0,0,0,0,2|1,0,0]=3 3344 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,0,0,0,0,2|1,0,0]=3 3345 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,0,0,0,0,2|2,0,0]=4 3346 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,0,0,0,0,2|1,0,1]=4 3347 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,0,0,0,0,2|2,0,0]=4