0 B9R1.6 NC(=O)C1=CC=CC=N1 AMPD00164 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 NC(=O)C1=NC=CC=N1 AMMD00047 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 O=C(Cl)C1=CC=CC=N1 AMPD00171 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 CNC1=CC=NC=C1 AMPD00220 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.2 NCC1=CC=NC=C1 AMPD00212 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.2 NCC1=CC=NC=C1 AMPD00214 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.2 O=CC1=CN=CN=C1 AMMD00015 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 O=CC1=NC=CC=N1 AMMD00013 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AMPD00159 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AMPD00158 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 CC1=CC=C(C(N)=O)C=N1 AMPD00206 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 CC1=CN=C(C(=O)O)C=N1 AMPZ0023 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 AMOT0100 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 AMPD00110 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 AMPD00160 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 AMOT0095 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 AMPZ0015 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 O=C(O)C1=CN=C(O)C=N1 AMPZ0014 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 AMPZ0019 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AMBA00064 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AMBA00055 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.13 OB(O)C1=CC=C(F)C=C1 AMBA00057 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.13 OB(O)C1=CC=C(O)C=C1 AMBA00022 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.15 CC(CS)C1=CC=CC=C1 AMBZ0298 [0,1,0,0,0,0|1,1,1]=4 24 B10R1.15 N[C@@H](CO)C1=CC=CN=C1 AMPD00296 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.15 O=C(CF)C1=CC=CC=C1 AMBZ0003 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.61 CC1=C(C(=O)O)N=CC=N1 AMPZ0024 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.61 CC1=NC=CC=C1C(=O)O AMPD00079 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.61 CC1=NC=CC=C1C(N)=O AMPD00235 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.61 NC(=O)C1=CN=CC=C1Cl AMPD00144 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 AMPD00147 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 AMPZ0010 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.61 O=N(=O)C1=C(O)C=CN=C1 AMPD00059 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.61 O=N(=O)C1=CC=CN=C1Br AMPD00124 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.61 O=N(=O)C1=CN=CC=C1Cl AMPD00048 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.61 OB(O)C1=C(O)C=CC=C1 AMBA00098 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 AMBZ0268 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.113 CC1=CC(C(=O)O)=CC=N1 AMPD00036 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AMPD00043 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.113 CC1=CN=CC(C(=O)O)=N1 AMPZ0022 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.113 CC1=NC=CC(B(O)O)=C1 AMBA00033 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.113 C[C@H](N)C1=CC(N)=CC=C1 AMOT0719 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AMOT0637 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.113 NC(=O)C1=CN=CC(O)=C1 AMPD00082 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.113 NC1=CC(N(=O)=O)=NC=C1 AMPD00049 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 AMPD00035 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.113 O=C1C=C(C(=O)O)C=NN1 AMOT0110 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.113 OB(O)C1=CC(Br)=CC=C1 AMBA00084 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.113 OB(O)C1=CC=NC(Br)=C1 AMPD00175 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.7 CC(=O)C1=NC=CO1 AMOT0351 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.7 NC(=O)C1=CC=NO1 AMOT0325 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.7 O=C(O)C1=COC=C1 AMOT0241 [0,0,0,0,1,0|1,0,0]=2 52 B8R1.7 O=C(O)C1=NC=CO1 AMOT0347 [0,0,0,0,1,0|2,0,0]=3 53 B8R1.7 O=N(=O)C1=CC=CO1 AMOT0097 [0,0,0,0,1,0|2,0,1]=4 54 B8R1.7 OB(O)C1=COC=C1 AMBA00021 [0,0,0,0,1,0|2,0,1]=4 55 B10R1.18 NC(=O)CC1=CC=CN=C1 AMPD00251 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.18 NC(=S)NC1=CC=CC=N1 AMPD00167 [0,0,0,0,0,1|2,1,0]=4 57 B7R1.3 NC1=CC=NC=C1 AMPD00207 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 O=C1C=CC=NN1 AMOT0201 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 BrCC1=CC=C(I)C=C1 AMBZ0168 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.1 CC1=CC=C(CO)C=N1 AMPD00039 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.1 FC1=CC=C(CBr)C=C1 AMBZ0153 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.1 N#CC1=CC=C(S)C=C1 AMBZ0044 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.1 NCC1=CC=C(Br)C=C1 AMBZ0458 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.1 NCC1=CC=C(O)C=C1 AMBZ0457 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.1 O=CC1=NC=C(Br)C=C1 AMPD00055 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.2 BrCC1=CC(I)=CC=C1 AMBZ0167 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.2 FC1=CC=CC(CBr)=C1 AMBZ0152 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.2 O=CC1=CC(Cl)=NC=C1 AMPD00168 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.8 ONCC1=CC=CC=C1 AMBZ0382 [1,1,0,0,0,0|0,0,1]=3 70 B9R1.15 BrCC1=C(I)C=CC=C1 AMBZ0166 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.15 C(=O)C1=CC=NC=C1Br AMPD00062 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.15 FC1=CC=CC=C1CBr AMBZ0151 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.15 NC1=C(CBr)C=CC=C1 AMBZ0032 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.15 NC1=CC=CC=C1CBr AMBZ0055 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.15 O=CC1=C(S)C=CC=C1 AMBZ0043 [1,1,0,0,0,0|0,0,0]=2 76 B9R1.15 OCC1=C(Br)C=NC=C1 AMPD00031 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.35 CC1=CC(C(=O)O)=NO1 AMOT0306 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.41 CC1=NOC=C1C(=O)O AMOT0112 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.41 CN1N=CC=C1C(=O)O AMOT0441 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.20 CC1=CC=C(CC(=O)O)N=C1 AMPD00137 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.40 COC(=N)CC1=CC=CC=C1 AMBZ0305 [0,1,0,0,0,1|1,0,0]=3 82 B11R1.40 COC(=O)CC1=CC=CC=N1 AMPD00225 [0,1,0,0,0,1|1,0,0]=3 83 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 AMBZ0197 [0,2,0,0,0,0|0,0,0]=2 84 B11R1.3 COC1=NC=C(C(=O)O)N=C1 AMPZ0017 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 AMBA00052 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 AMBZ0165 [0,2,0,0,0,0|0,0,0]=2 87 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 AMBA00081 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.3 O=N(=O)C1=CC=C(CBr)C=C1 AMBZ0160 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0073 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0384 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0385 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0449 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 AMBZ0473 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 AMBZ0460 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.21 O=N(=O)C1=CC=C(Br)C(Br)=C1 AMBZ0349 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 AMOT0099 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.22 COC(=O)C1=CC=C(N)C=N1 AMPD00019 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 AMPZ0013 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 AMPZ0012 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.22 COC(=O)C1=NC=C(C)N=C1 AMPZ0029 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 AMGLY00149 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 AMGLY00240 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AMGLY00020 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 AMGLY00054 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 AMGLY00142 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 AMGLY00021 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 AMBZ0029 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.166 CC(=O)C1=CC=C(C)C=C1O AMBZ0314 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.166 CC1=CC(F)=CC=C1C(=O)O AMBZ0018 [0,2,0,0,0,0|0,0,0]=2 110 B11R1.166 NC(=O)C1=C(Cl)N=C(Cl)C=C1 AMPD00271 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 AMBZ0023 [0,2,0,0,0,0|0,0,0]=2 112 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AMBZ0088 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 AMPD00128 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.23 COC(=O)C1=NC(C)=CN=C1 AMPZ0030 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 AMGLY00025 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 AMGLY00026 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 AMGLY00027 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 AMGLY00029 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.23 NC(CO)C1=CC=CC(F)=C1 AMGLY00139 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 AMGLY00003 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 AMGLY00002 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 AMGLY00028 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 AMGLY00005 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AMGLY00004 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AMGLY00030 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 AMBZ0056 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.222 COC(=O)C1=CC=CN=C1C AMPD00078 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.222 COC(=O)C1=NC=CN=C1C AMPZ0002 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.222 N[C@H](CO)C1=CC=CC=C1F AMGLY00085 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 AMBZ0456 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.155 CP(C)(=O)C1=CC=CC(Br)=C1 AMBZ0491 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 AMBZ0196 [0,2,0,0,0,0|0,0,0]=2 133 B11R1.53 CSC1=C(B(O)O)C=CC=C1 AMBA00100 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 AMBZ0163 [0,2,0,0,0,0|0,0,0]=2 135 B11R1.53 O=N(=O)C1=CC=CC=C1CBr AMBZ0158 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 AMBZ0445 [0,2,0,0,0,0|0,0,0]=2 137 B11R1.156 O=N(=O)C1=C(Br)C=CC=C1Br AMBZ0265 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 AMPD00051 [0,2,0,0,0,0|1,0,0]=3 139 B11R1.159 O=C(O)C1=CC=NC(F)=C1F AMPD00044 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.159 O=N(=O)C1=CC=CC(Br)=C1O AMBZ0124 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.167 CC(=O)C1=CC(Br)=CC=C1F AMBZ0009 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.167 CC(=O)C1=CC(F)=CC=C1O AMBZ0424 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=N1 AMPD00081 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.167 NC1=CN=C(F)C=C1C(=O)O AMPD00016 [0,2,0,0,0,0|1,0,0]=3 145 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 AMPD00261 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 AMBZ0036 [0,2,0,0,0,0|0,0,0]=2 147 B11R1.74 CC1=CC(F)=CC(C(=O)O)=C1 AMBZ0024 [0,2,0,0,0,0|0,0,0]=2 148 B11R1.74 NC1=NC(C(=O)O)=CC(Br)=C1 AMPD00260 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.74 O=N(=O)C1=CC(Cl)=CC(Cl)=C1 AMBZ0106 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AMBZ0164 [0,2,0,0,0,0|0,0,0]=2 151 B11R1.266 O=N(=O)C1=CC(CBr)=CC=C1 AMBZ0159 [0,2,0,0,0,0|1,0,1]=4 152 B11R2.1 BrC1=CNC2=CC=CC=C12 AMOT0036 [0,1,0,1,0,0|2,0,0]=4 153 B11R2.1 NC1=CNC2=CC=CC=C12 AMOT0054 [0,1,0,1,0,0|2,0,0]=4 154 B11R2.1 O=C1CCC2=CC=CN=C12 AMPD00350 [0,1,0,1,0,0|2,0,0]=4 155 B11R2.239 C1=CC=C(C2COC2)C=C1 AMOT00010 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.1 O=CC1=CN=CS1 AMOT0280 [1,0,0,0,1,0|2,0,0]=4 157 B7R1.1 O=CC1=COC=C1 AMOT0244 [1,0,0,0,1,0|1,0,0]=3 158 B7R1.1 O=CC1=CSC=N1 AMOT0279 [1,0,0,0,1,0|2,0,0]=4 159 B7R1.1 O=CC1=NC=CO1 AMOT0346 [1,0,0,0,1,0|2,0,0]=4 160 B7R1.1 OCC1=COC=C1 AMOT0242 [1,0,0,0,1,0|1,0,1]=4 161 B11R1.91 O=C(O)CCC1=NC=NC=C1 AMMD00004 [0,0,0,0,0,2|2,0,0]=4 162 B11R1.91 O=N(=O)\C=C\C1=CC=CC=C1 AMBZ0185 [0,0,0,0,0,2|1,0,1]=4