0 B10R1.39 CCN1C=CC=C1C(C)=O AK-87978 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.39 CCN1N=CC=C1B(O)O AK-85871 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.39 O=C(C1=CC=NN1CC)O AK-83430 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.39 O=C(C1=CN=CN1CC)O AK118722 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.39 O=C(C1=CSC=C1OC)O AK-36174 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.14 O=CC1=C(OC)C=CO1 AK320838 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.14 O=CC1=CN=CN1CC AK310500 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.14 O=CC1=NC=CN1CC AK-41483 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.41 C1=C([N](C=N1)C)[N+](=O)[O-] AK-30556 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.41 O=C(C1=CN=NN1C)O AK-31403 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.41 O=C(C1=NC=NN1C)O AK179208 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.49 O=C(C1=CC(C)=NN1CC)O AK165900 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.59 O=C(C1=C(CC)NC=C1)OC AK173442 [0,1,0,0,0,0|2,0,0]=3 27 B11R2.106 C1(NCC[N]2C1=CC=C2)=O AK-31113 [0,0,0,1,0,0|1,0,0]=2 28 B11R2.106 O=C1C2=CC=CN2C=CN1 AK-31114 [0,0,0,1,0,0|1,0,2]=4 29 B11R2.106 O=C1C2=CC=CN2NC=C1 AK-31769 [0,0,0,1,0,0|1,0,2]=4 30 B11R2.106 O=C1C2=CC=NN2CCC1 AK137088 [0,0,0,1,0,0|1,0,0]=2 31 B11R2.106 O=C1CCCC2=C1C=CO2 AK-63547 [0,0,0,1,0,0|2,0,0]=3 32 B11R2.106 O=C1CCCC2=C1C=CS2 AK-46453 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.106 O=C1CCCC2=C1SC=N2 AK-38685 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.106 O=C1NC=NN2C=CC=C12 AK-28701 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.53 C1=CC=CC(=C1C#N)C(C)=O AK-50565 [0,0,0,0,0,1|2,0,1]=4 36 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O AK-44122 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.53 CC(C1=CC=CC=C1NC)=O AK135397 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.53 CCC1=C(N=CC=N1)C(C)=O AK-89658 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.53 CCC1=NC=CC=C1C(O)=O AK111206 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.53 COC1=C(C(=O)O)C=CN=C1 AK-30272 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.53 COC1=C(C=CN=C1)C(C)=O AK-99909 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.53 COC1=CC=CN=C1C(=O)O AK-63990 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.53 COC1=CC=CN=C1C(C)=O AK-80679 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.53 COC1=NC=CC=C1C(C)=O AK110016 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.53 O=C(O)C1=C(OC)N=CC=C1 AK-45121 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.53 O=C(O)C1=CC=CC=C1CC AK-77452 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.53 O=C(O)C1=CC=CC=C1CO AK-35845 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.53 O=C(O)C1=CC=CC=C1OC AK-77451 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.53 O=C(O)C1=CN=CC=C1CC AK452545 [0,0,0,0,0,1|2,0,0]=3 50 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.266 CC(C1=CC=CC(CCl)=C1)=O AK-86175 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.266 CCC1=CC=CC(=N1)C(O)=O AK-65227 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.266 COC1=CC=CC(=N1)C(C)=O AK-27739 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.266 O=C(C1=NC(CO)=CC=C1)O AK-40085 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.266 O=C(N)C1=CC=CC(CBr)=C1 AK100650 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.266 O=C(O)C1=NC(CN)=CC=C1 AK152008 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.266 O=C(O)C1=NC(OC)=CC=C1 AK-29968 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,0,0,0,0,1|3,0,0]=4 63 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|1,0,0]=3 64 B8R1.11 C1=CN=C(C=O)[N]1C AK-38404 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.11 CCN1N=CC=C1N AK-57067 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.11 CSC1=NC=CN1C AK175602 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.11 NCC1=CC=CN1C AK-44946 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [2,0,0,0,0,0|0,0,0]=2 72 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [2,0,0,0,0,0|1,0,1]=4 79 B8R1.7 O=C(C1=NC=CN1)N AK139797 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [2,0,0,0,0,0|1,0,1]=4 82 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.59 CC(C1=C(C)C=C(C)O1)=O AK126891 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.59 CC(C1=CC(C)=NN1C)=O AK-39987 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.59 O=C(C1=CC(Br)=CN1C)O AK101071 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.59 O=C(C1=CC(C)=NN1C)N AK-58611 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.59 O=C(C1=CC(C)=NN1C)O AK-29420 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.149 CC1=C(C=CS1)C(=O)OC AK-40494 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.149 COC(=O)C1=C(C)C=CO1 AK-89345 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.149 O=C(C1=C(C)C=CS1)OC AK-29549 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.149 O=C(C1=CC=NN1C)OC AK119024 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.149 O=C(C1=CNC=C1C)OC AK126219 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.149 O=C(C1=NC=CN1C)OC AK139738 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.192 O=C(C1=C(Br)C=NN1C)O AK124611 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.192 O=C(C1=C(I)C=NN1C)O AK112051 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.194 CC(C1=CNC(Br)=C1C)=O AK-25566 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.194 O=C(C1=CC=C(Br)N1C)O AK-36608 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.46 CC(C1=CC(Br)=CC=C1OC)=O AK-40233 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.46 CC(C1=CC(F)=CC=C1OC)=O AK126688 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.57 CC(C1=CC=C(Br)C=C1OC)=O AK104826 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.57 COC1=C(C=CC(N)=C1)C(C)=O AK-86813 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.77 C1=CC=CC(=C1C(OC)=O)CBr AK-34305 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.77 COC1=CC=CC=C1C(CBr)=O AK114423 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.77 COC1=CC=CC=C1C(CN)=O AK141727 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.77 COC1=CC=CN=C1C(=O)OC AK-29044 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.77 O=C(OC)C1=C(CBr)N=CC=C1 AK128701 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.77 O=C(OC)C1=C(CN)N=CC=C1 AK173154 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.77 O=C(OC)C1=C(OC)N=CC=C1 AK-47108 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.77 O=C(OC)C1=CC=CC=C1OC AK-94060 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.77 O=C(OC)C1=NC=CC=C1CBr AK143067 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.87 CC(C1=CC=CC(F)=C1OC)=O AK-68623 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.87 COC1=C(C=CC=C1Br)C(C)=O AK100687 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.87 O=C(O)C1=CC=CC(Br)=C1CC AK141322 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.283 C1=CC=CC(=C1C(O)=O)OCC AK-47485 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.283 COCC1=C(C=CC=C1)C(O)=O AK-66841 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.283 O=C(O)C1=CC=NC=C1OCC AK137999 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.283 O=C(O)C1=NC=CC=C1OCC AK-76063 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.437 CC(C1=C(C)C=CC=C1OC)=O AK145156 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.437 CC(C1=C(OC)C=CC=C1Br)=O AK144491 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.437 CC(C1=C(OC)C=CC=C1Cl)=O AK128371 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.437 CC(C1=C(OC)C=CC=C1F)=O AK-44489 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.437 CC(C1=C(OC)C=CC=C1O)=O AK-76818 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.56 CC(C1=CC=C(Br)C(OC)=C1)=O AK144652 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.56 O=C(O)C1=CC=C(N)C(CC)=C1 AK-92304 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.258 CC(C)C1=CC=CC(=C1)C(C)=O AK110654 [0,1,0,0,0,1|1,0,0]=3 127 B12R1.258 CC(C1=CC=CC([C@@H](N)C)=C1)=O AK608009 [0,1,0,0,0,1|1,0,0]=3 128 B12R1.258 O=C(C1=CC=CC(C(C)=O)=N1)C AK-32871 [0,1,0,0,0,1|1,0,1]=4 129 B12R1.258 O=C(O)C1=CC=CC(C(O)C)=C1 AK141759 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.279 COCC1=CC=CC(=C1)C(O)=O AK-81405 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.435 C1=C(C=CC=C1CBr)C(=O)OC AK-45772 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.435 C1=C(C=CC=C1OC)C(CBr)=O AK-72958 [0,1,0,0,0,1|2,0,0]=4 133 B12R1.435 COC1=CC=CC(=C1)C(CC)=O AK-47465 [0,1,0,0,0,1|2,0,0]=4 134 B12R1.435 O=C(OC)C1=NC(CBr)=CC=C1 AK-29873 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.435 O=C(OC)C1=NC(CC)=CC=C1 AK100751 [0,1,0,0,0,1|1,0,0]=3 136 B12R1.435 O=C(OC)C1=NC(CF)=CC=C1 AK-26515 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.435 O=C(OC)C1=NC(CN)=CC=C1 AK154847 [0,1,0,0,0,1|2,0,0]=4 138 B12R1.435 O=C(OC)C1=NC(CO)=CC=C1 AK-61314 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.435 O=C(OC)C1=NC(OC)=CC=C1 AK-76230 [0,1,0,0,0,1|2,0,0]=4 140 B12R1.440 COC1=CC=CC(C(C)=O)=C1N AK-41477 [0,1,0,0,0,1|2,0,0]=4 141 B12R1.453 O=C(O)C1=CC(CC)=CC=C1N AK126710 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,0,1,1,0,0|1,0,1]=4 143 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [0,0,1,1,0,0|0,0,2]=4 144 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [0,0,1,1,0,0|1,0,1]=4 145 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [0,0,1,1,0,0|2,0,0]=4 146 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,0,1,1,0,0|1,0,1]=4 147 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,0,1,1,0,0|0,0,2]=4 148 B10R2.7 C12=CC=NN1CCCN2 AK-28324 [1,0,0,1,0,0|2,0,0]=4 149 B10R2.7 C12=NC=CN1CCCN2 AK-30113 [1,0,0,1,0,0|2,0,0]=4 150 B10R2.7 C1CN2C=CC=C2CN1 AK-36181 [1,0,0,1,0,0|1,0,1]=4 151 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [1,0,0,1,0,0|2,0,0]=4 152 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,0,0,1,0,1|2,0,0]=4 153 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [0,0,0,1,0,1|1,0,0]=3 154 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,0,0,1,0,1|1,0,0]=3 155 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [0,0,0,1,0,1|1,0,0]=3 156 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [0,0,0,1,0,1|1,0,0]=3 157 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [0,0,0,1,0,1|2,0,0]=4 158 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,0,0,1,0,1|2,0,0]=4 159 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [0,0,0,1,0,1|2,0,0]=4 160 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [0,0,0,1,0,1|2,0,0]=4 161 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,0,0,1,0,1|2,0,0]=4 162 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,0,0,1,0,1|2,0,0]=4 163 B12R2.114 O=C1CCCC2=C(C=CS2)N1 AK-72509 [0,0,0,1,0,1|2,0,0]=4 164 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O AK549131 [0,0,0,1,0,1|2,0,0]=4 165 B12R2.221 O=C1C2=CC=CN2C(C)CN1 AK-38830 [0,1,0,1,0,0|0,0,0]=2 166 B10R1.20 COC1=C(C=O)C=CN=C1 AK-76614 [1,0,0,0,0,1|2,0,0]=4 167 B10R1.20 O=CC1=C(NC)N=CC=C1 AK106308 [1,0,0,0,0,1|2,0,0]=4 168 B10R1.20 O=CC1=C(OC)C=CN=C1 AK-29552 [1,0,0,0,0,1|2,0,0]=4 169 B10R1.20 O=CC1=C(OC)N=CC=C1 AK-36180 [1,0,0,0,0,1|2,0,0]=4 170 B10R1.20 O=CC1=CC=CC=C1CC AK-51264 [1,0,0,0,0,1|1,0,0]=3 171 B10R1.20 O=CC1=CC=CC=C1NC AK120939 [1,0,0,0,0,1|2,0,0]=4 172 B10R1.20 O=CC1=CC=CC=C1OC AK116922 [1,0,0,0,0,1|2,0,0]=4 173 B10R1.172 CCC1=CC=CC(CC)=N1 AK-89097 [1,0,0,0,0,1|1,0,1]=4 174 B10R1.172 O=CC1=CC=CC(CBr)=C1 AK-54641 [1,0,0,0,0,1|2,0,0]=4 175 B10R1.172 O=CC1=CC=CC(CC)=C1 AK-94141 [1,0,0,0,0,1|1,0,0]=3 176 B10R1.172 O=CC1=CC=CC(OC)=C1 AK-84426 [1,0,0,0,0,1|2,0,0]=4 177 B10R1.172 O=CC1=NC(CC)=CC=C1 AK100815 [1,0,0,0,0,1|1,0,0]=3 178 B10R1.172 O=CC1=NC(CF)=CC=C1 AK-47251 [1,0,0,0,0,1|2,0,0]=4 179 B10R1.172 O=CC1=NC(OC)=CC=C1 AK-26099 [1,0,0,0,0,1|2,0,0]=4 180 B10R1.31 O=C(C1=CN(CC)N=C1)O AK-83434 [0,0,0,0,1,1|2,0,0]=4 181 B12R1.75 CC(OC1=CC=CC=C1CBr)=O AK149576 [0,0,0,0,0,2|2,0,0]=4 182 B12R1.438 CC(OC1=CC=CC(CBr)=C1)=O AK149577 [0,0,0,0,0,2|2,0,0]=4