0 B8R1.1 BrCC1=CN=C(Br)S1 AMY4696 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.1 BrCC1=NC(Br)=CS1 AM805459 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC(CCl)=NO1 AMY27043 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC(CN)=NO1 AM20080394 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC1=CC(CO)=NN1 AM806535 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 CC1=CC(CO)=NO1 AM85740 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.1 CC1=CC=C(C#N)N1 AMY19095 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.1 CC1=CC=C(C#N)S1 AMY4814 [0,0,0,0,0,0|1,1,1]=3 8 B8R1.1 CC1=CC=C(C=O)N1 AM803022 [0,0,0,0,0,0|1,0,2]=3 9 B8R1.1 CC1=CC=C(C=O)O1 AMY23296 [0,0,0,0,0,0|0,0,2]=2 10 B8R1.1 CC1=CC=C(C=O)S1 AM803182 [0,0,0,0,0,0|0,1,2]=3 11 B8R1.1 CC1=CC=C(CN)S1 AM802866 [0,0,0,0,0,0|1,1,0]=2 12 B8R1.1 CC1=CC=C(CN)S1 AMY4599 [0,0,0,0,0,0|1,1,0]=2 13 B8R1.1 CC1=CC=C(CO)O1 AMY41923 [0,0,0,0,0,0|0,0,0]=0 14 B8R1.1 CC1=CC=C(CO)S1 AM804180 [0,0,0,0,0,0|0,1,0]=1 15 B8R1.1 CC1=CN=C(C=O)N1 AM20080647 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.1 CC1=CN=C(CN)O1 AMY35786 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.1 CC1=CN=C(CN)O1 AMY35797 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.1 CC1=CN=C(CO)S1 AMY17419 [0,0,0,0,0,0|1,1,0]=2 19 B8R1.1 CC1=CNC(C=O)=C1 AMY17862 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.1 CC1=CNC(CN)=N1 AM803982 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 CC1=COC(CN)=N1 AM806396 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 CC1=CSC(C=O)=C1 AM804119 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.1 CC1=CSC(C=O)=N1 AM803186 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.1 CC1=CSC(CN)=C1 AM802868 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.1 CC1=CSC(CO)=C1 AM804307 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.1 CC1=NC(C#N)=CS1 AM84778 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.1 CC1=NC(C=O)=CO1 AM20080084 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.1 CC1=NC(C=O)=CS1 AM20090176 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.1 CC1=NC(CCl)=CS1 AM804353 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.1 CC1=NC(CCl)=CS1 AMY202100079 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.1 CC1=NC(CCl)=NO1 AM9986 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CC1=NC(CN)=CS1 AMY4585 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.1 CC1=NC(CO)=CO1 AMY15126 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.1 CC1=NC(CO)=CS1 AMY4969 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.1 CC1=NC=C(C=O)N1 AM803754 [0,0,0,0,0,0|2,0,2]=4 36 B8R1.1 CC1=NC=C(C=O)S1 AMY18110 [0,0,0,0,0,0|1,1,2]=4 37 B8R1.1 CC1=NC=C(CCl)S1 AM806403 [0,0,0,0,0,0|2,1,0]=3 38 B8R1.1 CC1=NC=C(CN)S1 AM804163 [0,0,0,0,0,0|2,1,0]=3 39 B8R1.1 CC1=NC=C(CO)N1 AM806536 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.1 CC1=NC=C(CO)O1 AMY202003195 [0,0,0,0,0,0|1,0,0]=1 41 B8R1.1 CC1=NC=C(CO)S1 AM804044 [0,0,0,0,0,0|1,1,0]=2 42 B8R1.1 CC1=NN=C(C=O)O1 AMY202100035 [0,0,0,0,0,0|2,0,2]=4 43 B8R1.1 CC1=NN=C(CCl)O1 AM803832 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 CC1=NN=C(CCl)S1 AM20100734 [0,0,0,0,0,0|3,1,0]=4 45 B8R1.1 CC1=NNC(CO)=C1 AMY32726 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.1 CC1=NOC(CBr)=C1 AMY23827 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.1 CC1=NOC(CN)=C1 AMY18673 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.1 CCN1C=CC(N)=N1 AM20100358 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.1 CCN1C=C[N+](C)=C1 AMY18805 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.1 CCN1C=C[N+](C)=C1 AMY19717 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 CCN1C=C[N+](C)=C1 AMY23162 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.1 CCN1C=C[N+](C)=C1 AMY23163 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 CCN1C=C[N+](C)=C1 AMY23164 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 CCN1C=C[N+](C)=C1 AMY3528 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 CN1C=C(CBr)C=N1 AMY34891 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.1 CN1C=C(CCl)C=N1 AM806264 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 CN1C=C(CN)C=N1 AM20100063 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 CN1C=C(CN)C=N1 AM81127 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 CN1C=C(CN)C=N1 AMY34320 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.1 CN1C=C(CO)C=N1 AM20080070 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.1 CN1C=CC(C#N)=N1 AMY32863 [0,0,0,0,0,0|3,0,1]=4 62 B8R1.1 CN1C=CC(C=O)=N1 AM20090340 [0,0,0,0,0,0|2,0,2]=4 63 B8R1.1 CN1C=CC(CCl)=N1 AM85007 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.1 CN1C=CC(CN)=N1 AM20100490 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.1 CN1C=CC(CN)=N1 AMY18294 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.1 CN1C=CC(CO)=N1 AM804390 [0,0,0,0,0,0|2,0,0]=2 67 B8R1.1 CN1C=NC(CCl)=C1 AMY28633 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.1 CN1C=NC(CCl)=C1 AMY28692 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.1 CN1C=NC(CCl)=N1 AM20080256 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.1 CN1C=NC(CN)=C1 AM20100201 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.1 CN1C=NC(CO)=C1 AM803338 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.1 CN1C=NC(CO)=N1 AM20080257 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.1 ClCC1=CC=C(Cl)S1 AM808041 [0,0,0,0,0,0|2,1,0]=3 74 B8R1.1 ClCC1=CN=C(Cl)S1 AM90548 [0,0,0,0,0,0|3,1,0]=4 75 B8R1.1 ClCC1=CSC(Br)=N1 AM100904 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.1 ClCC1=CSC(Cl)=N1 AMY9283 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.1 ClCC1=NC(Br)=CS1 AMY30354 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.1 ClCC1=NC=C(Cl)S1 AMY42386 [0,0,0,0,0,0|3,1,0]=4 79 B8R1.1 N#CC1=CC=C(Br)O1 AMY27094 [0,0,0,0,0,0|2,0,1]=3 80 B8R1.1 N#CC1=CC=C(Br)S1 AM20090196 [0,0,0,0,0,0|2,1,1]=4 81 B8R1.1 NC1=CC(CO)=NN1 AMY9111 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.1 NC1=NC(CCl)=CS1 AM20100455 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.1 NC1=NC(CO)=CS1 AMY1930 [0,0,0,0,0,0|3,0,0]=3 84 B8R1.1 NC1=NC=C(CO)S1 AMY27022 [0,0,0,0,0,0|2,1,0]=3 85 B8R1.1 NCC1=CC(Br)=CS1 AMY27187 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.1 NCC1=CC(Br)=CS1 AMY27763 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.1 NCC1=CC=C(Br)S1 AMY4598 [0,0,0,0,0,0|2,1,0]=3 88 B8R1.1 NCC1=CC=C(Cl)S1 AMY4935 [0,0,0,0,0,0|2,1,0]=3 89 B8R1.1 NCC1=CN=C(Cl)S1 AM20080153 [0,0,0,0,0,0|3,1,0]=4 90 B8R1.1 NCC1=CN=C(Cl)S1 AMY22916 [0,0,0,0,0,0|3,1,0]=4 91 B8R1.1 NCC1=CSC(Br)=N1 AM101646 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.1 NCC1=CSC(N)=N1 AM100468 [0,0,0,0,0,0|4,0,0]=4 93 B8R1.1 NCC1=CSC(S)=N1 AM98820 [0,0,0,0,0,0|4,0,0]=4 94 B8R1.1 NCC1=NC(Br)=CS1 AMY23627 [0,0,0,0,0,0|4,0,0]=4 95 B8R1.1 NCC1=NC(Br)=CS1 AMY23696 [0,0,0,0,0,0|4,0,0]=4 96 B8R1.1 NCC1=NC=C(Br)S1 AMY33910 [0,0,0,0,0,0|3,1,0]=4 97 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 AMY33458 [0,0,0,0,0,0|2,0,2]=4 98 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AMY14944 [0,0,0,0,0,0|2,0,2]=4 99 B8R1.1 O=C1C=C[C@@H](CO)O1 AMY42490 [0,0,0,0,0,0|1,0,1]=2 100 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,0,0,0,0,0|1,0,3]=4 101 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,0,0,0,0,0|2,0,2]=4 102 B8R1.1 O=CC1=CC=C(Br)N1 AMY29098 [0,0,0,0,0,0|2,0,2]=4 103 B8R1.1 O=CC1=CC=C(Br)O1 AM20090109 [0,0,0,0,0,0|1,0,2]=3 104 B8R1.1 O=CC1=CC=C(Br)S1 AM20100185 [0,0,0,0,0,0|1,1,2]=4 105 B8R1.1 O=CC1=CC=C(Cl)S1 AMY23290 [0,0,0,0,0,0|1,1,2]=4 106 B8R1.1 OCC1=CC(Br)=CS1 AMY4597 [0,0,0,0,0,0|3,0,0]=3 107 B8R1.1 OCC1=CC(Br)=NO1 AM20090315 [0,0,0,0,0,0|4,0,0]=4 108 B8R1.1 OCC1=CC=C(F)S1 AMY23548 [0,0,0,0,0,0|1,1,0]=2 109 B8R1.1 OCC1=CN=C(Br)S1 AM20100637 [0,0,0,0,0,0|2,1,0]=3 110 B8R1.1 OCC1=CN=C(Cl)S1 AMY32107 [0,0,0,0,0,0|2,1,0]=3 111 B8R1.1 OCC1=CSC(Br)=N1 AM20100279 [0,0,0,0,0,0|3,0,0]=3 112 B8R1.1 OCC1=CSC(S)=N1 AM100435 [0,0,0,0,0,0|3,0,0]=3 113 B8R1.1 OCC1=NC(Br)=CS1 AM803481 [0,0,0,0,0,0|3,0,0]=3 114 B8R1.1 OCC1=NC(I)=CN1 AMY14960 [0,0,0,0,0,0|3,0,0]=3 115 B8R1.1 OCC1=NC=C(Br)O1 AMY27833 [0,0,0,0,0,0|2,0,0]=2 116 B8R1.1 OCC1=NC=C(Br)S1 AMY33911 [0,0,0,0,0,0|2,1,0]=3 117 B8R1.1 OCC1=NC=C(I)N1 AM807542 [0,0,0,0,0,0|3,0,0]=3 118 B8R1.1 OCC1=NN=C(Cl)S1 AM20120316 [0,0,0,0,0,0|3,1,0]=4 119 B8R1.1 SC1=NC(CCl)=CS1 AM98704 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.1 SCC1=CSC(Br)=N1 AM98579 [0,0,0,0,0,0|3,1,0]=4 121 B8R1.1 SCC1=CSC(S)=N1 AM99256 [0,0,0,0,0,0|3,1,0]=4 122 B7R1.1 BrCC1=CC=CS1 AMY22870 [1,0,0,0,0,0|1,1,0]=3 123 B7R1.1 BrCC1=CC=NO1 AM804245 [1,0,0,0,0,0|2,0,0]=3 124 B7R1.1 BrCC1=CN=CS1 AM20090008 [1,0,0,0,0,0|2,1,0]=4 125 B7R1.1 BrCC1=CSC=C1 AM100695 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.1 BrCC1=NC=CO1 AM85471 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.1 BrCC1=NOC=C1 AM804339 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.1 C#CC1=CC=CS1 AMY15557 [1,0,0,0,0,0|1,1,1]=4 129 B7R1.1 C=CC1=CC=CS1 AM84662 [1,0,0,0,0,0|1,1,1]=4 130 B7R1.1 CCC1=CC=CS1 AM20110253 [1,0,0,0,0,0|1,1,0]=3 131 B7R1.1 CCC1=NC=CN1 AM81998 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.1 CCC1=NN=CO1 AM20080226 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.1 CCN1C=CC=N1 AM20090357 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.1 CNC1=NC=CO1 AM804633 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.1 COC1=CC=CS1 AMY23227 [1,0,0,0,0,0|2,1,0]=4 136 B7R1.1 ClCC1=CC=CO1 AMY26896 [1,0,0,0,0,0|1,0,0]=2 137 B7R1.1 ClCC1=CC=CS1 AM20100753 [1,0,0,0,0,0|1,1,0]=3 138 B7R1.1 ClCC1=CN=CN1 AM90206 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.1 ClCC1=CN=CO1 AMY41018 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.1 ClCC1=CN=CS1 AM100831 [1,0,0,0,0,0|2,1,0]=4 141 B7R1.1 ClCC1=CN=CS1 AM91849 [1,0,0,0,0,0|2,1,0]=4 142 B7R1.1 ClCC1=CSC=C1 AM100610 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.1 ClCC1=CSC=N1 AMY13412 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.1 ClCC1=NC=CO1 AM20090081 [1,0,0,0,0,0|2,0,0]=3 145 B7R1.1 ClCC1=NNC=C1 AMY9070 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.1 N#CC1=CC=CN1 AM90100 [1,0,0,0,0,0|2,0,1]=4 147 B7R1.1 N#CC1=CC=CO1 AMY202100107 [1,0,0,0,0,0|1,0,1]=3 148 B7R1.1 N#CC1=CC=CS1 AM20070640 [1,0,0,0,0,0|1,1,1]=4 149 B7R1.1 N#CC1=NC=CO1 AM85873 [1,0,0,0,0,0|2,0,1]=4 150 B7R1.1 NCC1=CC=CN1 AMY19157 [1,0,0,0,0,0|2,0,0]=3 151 B7R1.1 NCC1=CC=CS1 AM803624 [1,0,0,0,0,0|1,1,0]=3 152 B7R1.1 NCC1=CC=NO1 AM20120499 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.1 NCC1=CN=CO1 AM20110214 [1,0,0,0,0,0|2,0,0]=3 154 B7R1.1 NCC1=CN=CS1 AM20080445 [1,0,0,0,0,0|2,1,0]=4 155 B7R1.1 NCC1=CN=CS1 AM91850 [1,0,0,0,0,0|2,1,0]=4 156 B7R1.1 NCC1=CN=CS1 AMY34314 [1,0,0,0,0,0|2,1,0]=4 157 B7R1.1 NCC1=CNC=N1 AMY23030 [1,0,0,0,0,0|3,0,0]=4 158 B7R1.1 NCC1=CNC=N1 AMY7828 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.1 NCC1=CSC=N1 AM806141 [1,0,0,0,0,0|3,0,0]=4 160 B7R1.1 NCC1=NC=CN1 AM20090227 [1,0,0,0,0,0|3,0,0]=4 161 B7R1.1 NCC1=NC=CS1 AM20100366 [1,0,0,0,0,0|2,1,0]=4 162 B7R1.1 NCC1=NC=CS1 AMY16275 [1,0,0,0,0,0|2,1,0]=4 163 B7R1.1 NCC1=NNC=C1 AM20090607 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.1 NCC1=NNC=C1 AMY36478 [1,0,0,0,0,0|3,0,0]=4 165 B7R1.1 NCC1=NOC=C1 AM20080222 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.1 O=CC1=CC=CN1 AM20070639 [1,0,0,0,0,0|1,0,2]=4 167 B7R1.1 O=CC1=CC=CO1 AM81812 [1,0,0,0,0,0|0,0,2]=3 168 B7R1.1 O=CC1=CC=CS1 AM20120394 [1,0,0,0,0,0|0,1,2]=4 169 B7R1.1 O=CC1=CC=NO1 AMY41963 [1,0,0,0,0,0|1,0,2]=4 170 B7R1.1 O=CC1=CN=CO1 AM20080128 [1,0,0,0,0,0|1,0,2]=4 171 B7R1.1 O=CC1=NC=CO1 AM20100592 [1,0,0,0,0,0|1,0,2]=4 172 B7R1.1 O=S=C1NC=CO1 AMY37038 [1,0,0,0,0,0|2,0,1]=4 173 B7R1.1 OCC1=CC=CN1 AMY19087 [1,0,0,0,0,0|1,0,0]=2 174 B7R1.1 OCC1=CC=CO1 AM81811 [1,0,0,0,0,0|0,0,0]=1 175 B7R1.1 OCC1=CC=CS1 AM804174 [1,0,0,0,0,0|0,1,0]=2 176 B7R1.1 OCC1=CC=NO1 AM20120507 [1,0,0,0,0,0|1,0,0]=2 177 B7R1.1 OCC1=CN=CN1 AM804377 [1,0,0,0,0,0|2,0,0]=3 178 B7R1.1 OCC1=CN=CO1 AM86088 [1,0,0,0,0,0|1,0,0]=2 179 B7R1.1 OCC1=CN=CS1 AM20100025 [1,0,0,0,0,0|1,1,0]=3 180 B7R1.1 OCC1=CNC=N1 AM20090479 [1,0,0,0,0,0|2,0,0]=3 181 B7R1.1 OCC1=CNN=C1 AMY5501 [1,0,0,0,0,0|3,0,0]=4 182 B7R1.1 OCC1=COC=C1 AM85772 [1,0,0,0,0,0|2,0,0]=3 183 B7R1.1 OCC1=COC=N1 AM20080403 [1,0,0,0,0,0|2,0,0]=3 184 B7R1.1 OCC1=CSC=C1 AMY17815 [1,0,0,0,0,0|2,0,0]=3 185 B7R1.1 OCC1=CSC=N1 AM20100663 [1,0,0,0,0,0|2,0,0]=3 186 B7R1.1 OCC1=NC=CN1 AM807005 [1,0,0,0,0,0|2,0,0]=3 187 B7R1.1 OCC1=NC=CO1 AM20080218 [1,0,0,0,0,0|1,0,0]=2 188 B7R1.1 OCC1=NC=CS1 AM803222 [1,0,0,0,0,0|1,1,0]=3 189 B7R1.1 OCC1=NNC=C1 AM20090254 [1,0,0,0,0,0|2,0,0]=3 190 B7R1.1 OCC1=NNC=C1 AMY29121 [1,0,0,0,0,0|2,0,0]=3 191 B7R1.1 OCC1=NOC=C1 AMY37652 [1,0,0,0,0,0|2,0,0]=3 192 B7R1.1 OCC1CC=CC1 AM20090293 [1,0,0,0,0,0|1,0,2]=4 193 B7R1.1 OCN1C=CN=C1 AMY39909 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.2 BrC1=CC=C(Br)O1 AM20090471 [1,0,0,0,0,0|2,0,0]=3 195 B7R1.2 BrC1=CC=C(Br)S1 AM20090448 [1,0,0,0,0,0|2,1,0]=4 196 B7R1.2 BrC1=CC=C(I)S1 AMY7271 [1,0,0,0,0,0|2,1,0]=4 197 B7R1.2 CC1=CC(Br)=CS1 AM20090389 [1,0,0,0,0,0|3,0,0]=4 198 B7R1.2 CC1=CC(C)=NN1 AMY40839 [1,0,0,0,0,0|3,0,0]=4 199 B7R1.2 CC1=CC(C)=NO1 AM20090405 [1,0,0,0,0,0|3,0,0]=4 200 B7R1.2 CC1=CC=C(Br)O1 AM806617 [1,0,0,0,0,0|1,0,0]=2 201 B7R1.2 CC1=CC=C(Br)S1 AM20100755 [1,0,0,0,0,0|1,1,0]=3 202 B7R1.2 CC1=CC=C(C)O1 AM81813 [1,0,0,0,0,0|0,0,0]=1 203 B7R1.2 CC1=CC=C(Cl)S1 AMY31416 [1,0,0,0,0,0|1,1,0]=3 204 B7R1.2 CC1=CC=C(I)S1 AMY31922 [1,0,0,0,0,0|1,1,0]=3 205 B7R1.2 CC1=CN(C)C=N1 AM804171 [1,0,0,0,0,0|3,0,0]=4 206 B7R1.2 CC1=CN(C)N=C1 AMY25522 [1,0,0,0,0,0|3,0,0]=4 207 B7R1.2 CC1=CN=C(Br)S1 AM20100103 [1,0,0,0,0,0|2,1,0]=4 208 B7R1.2 CC1=CN=C(I)N1 AM805967 [1,0,0,0,0,0|3,0,0]=4 209 B7R1.2 CC1=CN=C(N)O1 AM803709 [1,0,0,0,0,0|2,0,0]=3 210 B7R1.2 CC1=CN=C(N)S1 AM20100697 [1,0,0,0,0,0|2,1,0]=4 211 B7R1.2 CC1=CNC(C)=C1 AMY3543 [1,0,0,0,0,0|2,0,0]=3 212 B7R1.2 CC1=CNC(C)=N1 AM20120338 [1,0,0,0,0,0|2,0,0]=3 213 B7R1.2 CC1=COC(Br)=N1 AMY23967 [1,0,0,0,0,0|3,0,0]=4 214 B7R1.2 CC1=COC(N)=N1 AM20090562 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.2 CC1=CSC(Br)=N1 AM20100691 [1,0,0,0,0,0|3,0,0]=4 216 B7R1.2 CC1=CSC(C)=N1 AM20100334 [1,0,0,0,0,0|2,0,0]=3 217 B7R1.2 CC1=CSC(Cl)=N1 AM803610 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.2 CC1=CSC(N)=C1 AM20080364 [1,0,0,0,0,0|3,0,0]=4 219 B7R1.2 CC1=CSC(N)=N1 AM20080431 [1,0,0,0,0,0|3,0,0]=4 220 B7R1.2 CC1=NC(Br)=CN1 AM803290 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.2 CC1=NC(Br)=CS1 AMY34939 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.2 CC1=NC(I)=CN1 AM807433 [1,0,0,0,0,0|3,0,0]=4 223 B7R1.2 CC1=NC=C(N)S1 AMY26047 [1,0,0,0,0,0|2,1,0]=4 224 B7R1.2 CC1=NN(C)C=C1 AM20100648 [1,0,0,0,0,0|2,0,0]=3 225 B7R1.2 CC1=NN=C(Br)O1 AMY41069 [1,0,0,0,0,0|3,0,0]=4 226 B7R1.2 CC1=NN=C(N)O1 AMY10288 [1,0,0,0,0,0|3,0,0]=4 227 B7R1.2 CC1=NSC(=O)O1 AMY14827 [1,0,0,0,0,0|2,0,1]=4 228 B7R1.2 CN1C=C(O)C=N1 AMY1942 [1,0,0,0,0,0|3,0,0]=4 229 B7R1.2 CN1C=CC(=O)N1 AMY281 [1,0,0,0,0,0|2,0,1]=4 230 B7R1.2 CN1C=CC(Br)=N1 AM20080384 [1,0,0,0,0,0|3,0,0]=4 231 B7R1.2 CN1C=CC(Cl)=N1 AMY14367 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.2 CN1C=CC(I)=N1 AMY3465 [1,0,0,0,0,0|3,0,0]=4 233 B7R1.2 CN1C=CC(N)=N1 AM20090111 [1,0,0,0,0,0|3,0,0]=4 234 B7R1.2 CN1C=C[N+](C)=C1 AMY41243 [1,0,0,0,0,0|3,0,0]=4 235 B7R1.2 ClC1=CC=C(Cl)S1 AM82002 [1,0,0,0,0,0|2,1,0]=4 236 B7R1.2 O=C1C=CC(=O)N1 AMY236 [1,0,0,0,0,0|2,0,1]=4 237 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.7 CC1=CC=C(CCO)O1 AMY16284 [0,1,0,0,0,0|0,0,0]=1 239 B9R1.7 CC1=NC=C(CCO)S1 AMY16331 [0,1,0,0,0,0|1,1,0]=3 240 B9R1.7 CC1=NN=C(CC#N)O1 AMY14193 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.7 CNCC1=CSC(C)=N1 AM100247 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.7 CNCC1=NC(C)=CS1 AMY37767 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.7 COCC1=CN(C)N=C1 AMY33248 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.7 COCC1=CN=C(Cl)S1 AM100680 [0,1,0,0,0,0|2,1,0]=4 245 B9R1.7 COCC1=NN=C(N)O1 AMY21329 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.7 OCCC1=CSC(Br)=N1 AM85686 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.7 ON=CC1=CC=C(Br)S1 AM84760 [0,1,0,0,0,0|1,1,1]=4 248 B9R1.21 CCC1=CC=C(CC)S1 AMY22850 [0,1,0,0,0,0|1,1,0]=3 249 B9R1.21 CCN1C=C(CO)C=N1 AM90153 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.21 CCN1C=CC(CN)=N1 AM20120379 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.21 N#CC1=CC=C(C=O)O1 AM20100114 [0,1,0,0,0,0|0,0,3]=4 252 B9R1.21 NCC1=CC=C(CN)O1 AMY7024 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.21 O=CC1=CC(CO)=CO1 AMY41823 [0,1,0,0,0,0|2,0,1]=4 254 B9R1.21 O=CC1=CC=C(C=O)O1 AM20080614 [0,1,0,0,0,0|0,0,3]=4 255 B9R1.21 O=CC1=CC=C(CO)O1 AM20100616 [0,1,0,0,0,0|0,0,1]=2 256 B9R1.21 OCC1=CC(CO)=NN1 AMY33013 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.21 OCC1=CC=C(CO)O1 AM20090102 [0,1,0,0,0,0|0,0,0]=1 258 B9R1.22 CC1=C(CCl)OC(=O)O1 AMY40443 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.22 CC1=CC(C)=C(C=O)N1 AM20090211 [0,1,0,0,0,0|1,0,2]=4 260 B9R1.22 CC1=NC(C)=C(C=O)O1 AM20100641 [0,1,0,0,0,0|1,0,2]=4 261 B9R1.22 CC1=NC(C)=C(CN)S1 AM805883 [0,1,0,0,0,0|2,1,0]=4 262 B9R1.22 CC1=NC(C)=C(CO)S1 AM803969 [0,1,0,0,0,0|1,1,0]=3 263 B9R1.22 CC1=NC(CO)=C(C)O1 AMY25053 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.22 CC1=NN(C)C(CO)=C1 AMY26983 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.22 CCC1=NN(C)C=C1Br AMY34942 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.22 CCN1N=C(C)C=C1N AM9888 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.22 CN1C=C(Br)C(CO)=N1 AMY33209 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.23 CC1=CC(CCl)=NN1C AMY33720 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.23 CC1=CC(CN)=NN1C AM100810 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.23 CC1=CC(CO)=NN1C AMY32921 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.23 CCN1C=C(Br)C(C)=N1 AMY33066 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.23 CCN1C=C(N)C(C)=N1 AM20130010 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.23 CCN1C=C(N)C(C)=N1 AM20130012 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.23 OCC1=NC(Cl)=C(Cl)N1 AM807196 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.35 CC1=CC(C(=O)O)=CO1 AMY19573 [0,1,0,0,0,0|2,0,1]=4 276 B9R1.35 CC1=CC=C(B(O)O)O1 AM87100 [0,1,0,0,0,0|1,0,0]=2 277 B9R1.35 CC1=CC=C(B(O)O)S1 AM803287 [0,1,0,0,0,0|1,1,0]=3 278 B9R1.35 CC1=CC=C(C(=O)O)N1 AMY4812 [0,1,0,0,0,0|1,0,1]=3 279 B9R1.35 CC1=CC=C(C(=O)O)O1 AM20090119 [0,1,0,0,0,0|0,0,1]=2 280 B9R1.35 CC1=CC=C(C(=O)O)S1 AM20090123 [0,1,0,0,0,0|0,1,1]=3 281 B9R1.35 CC1=CN=C(C(=O)O)O1 AMY2485 [0,1,0,0,0,0|1,0,1]=3 282 B9R1.35 CC1=CN=C(C(=O)O)S1 AM20100492 [0,1,0,0,0,0|1,1,1]=4 283 B9R1.35 CC1=CN=C(C(=O)[O-])O1 AMY35414 [0,1,0,0,0,0|1,0,2]=4 284 B9R1.35 CC1=CNC(C(=O)O)=C1 AMY14426 [0,1,0,0,0,0|2,0,1]=4 285 B9R1.35 CC1=CNC(C(=O)O)=N1 AMY6496 [0,1,0,0,0,0|2,0,1]=4 286 B9R1.35 CC1=CSC(B(O)O)=C1 AM803286 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.35 CC1=CSC(C(=O)O)=C1 AM803213 [0,1,0,0,0,0|2,0,1]=4 288 B9R1.35 CC1=CSC(C(=O)O)=N1 AM20080346 [0,1,0,0,0,0|2,0,1]=4 289 B9R1.35 CC1=NC(B(O)O)=CS1 AMY1126 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.35 CC1=NC(C(=O)O)=CN1 AM84418 [0,1,0,0,0,0|2,0,1]=4 291 B9R1.35 CC1=NC(C(=O)O)=CO1 AM20090243 [0,1,0,0,0,0|2,0,1]=4 292 B9R1.35 CC1=NC(C(=O)O)=CS1 AM803762 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.35 CC1=NC=C(C(=O)O)S1 AM20100059 [0,1,0,0,0,0|1,1,1]=4 294 B9R1.35 CN1C=CC(B(O)O)=N1 AMY19103 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.35 CN1C=CC(C(=O)O)=C1 AM803787 [0,1,0,0,0,0|2,0,1]=4 296 B9R1.35 CN1C=CC(C(=O)O)=N1 AM20090287 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.35 CN1C=CC(C(F)F)=N1 AMY30417 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.35 C[C@@H](N)C1=NN(C)C=C1 AM807041 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AM807042 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.35 C[C@H](O)C1=CN(C)C=N1 AM20100669 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.35 C[C@H](O)C1=CN(C)N=C1 AMY10712 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.35 NC(=O)C1=CC=C(Br)O1 AMY17746 [0,1,0,0,0,0|1,0,2]=4 303 B9R1.35 O=C(O)C1=CC=C(Br)O1 AM20100426 [0,1,0,0,0,0|1,0,1]=3 304 B9R1.35 O=C(O)C1=CC=C(Br)S1 AM20100699 [0,1,0,0,0,0|1,1,1]=4 305 B9R1.35 O=C(O)C1=CC=C(Cl)O1 AMY3036 [0,1,0,0,0,0|1,0,1]=3 306 B9R1.35 O=C(O)C1=CC=C(Cl)S1 AM20090264 [0,1,0,0,0,0|1,1,1]=4 307 B9R1.35 O=C(O)C1=CC=C(F)S1 AMY23549 [0,1,0,0,0,0|1,1,1]=4 308 B9R1.35 OB(O)C1=CC=C(Br)S1 AM84553 [0,1,0,0,0,0|2,1,0]=4 309 B9R1.35 OB(O)C1=CC=C(Cl)S1 AM86069 [0,1,0,0,0,0|2,1,0]=4 310 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,0,1,0,0,0|1,0,2]=4 311 B7R0.4 CCO\C=C\C(=O)O AMY9262 [0,0,1,0,0,0|3,0,0]=4 312 B9R1.1 BrCC1=CC=C(Br)C=C1 AM81632 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.1 BrCC1=CC=C(I)C=C1 AM20030077 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.1 BrCC1=CN=C(Br)C=C1 AM90449 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.1 BrCC1=CN=C(Br)C=C1 AM92156 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.1 BrCC1=NC=C(Br)C=C1 AMY39800 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.1 BrCC1=NC=C(Br)C=C1 AMY7716 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.1 C#CC1=CC=C(C)C=C1 AMY21905 [0,0,0,0,0,1|2,0,1]=4 319 B9R1.1 C=CC1=CN=C(C)C=C1 AMY6756 [0,0,0,0,0,1|2,0,1]=4 320 B9R1.1 CC1=CC=C(C#N)C=C1 AM20050255 [0,0,0,0,0,1|2,0,1]=4 321 B9R1.1 CC1=CC=C(CCl)C=C1 AM90498 [0,0,0,0,0,1|2,0,0]=3 322 B9R1.1 CC1=CC=C(CN)C=C1 AM9932 [0,0,0,0,0,1|2,0,0]=3 323 B9R1.1 CC1=CC=C(CO)C=C1 AMY21965 [0,0,0,0,0,1|1,0,0]=2 324 B9R1.1 CC1=CC=C(NN)C=C1 AM20061222 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.1 CC1=CC=C(NN)N=N1 AM20100030 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.1 CC1=CN=C(C#N)C=C1 AM20050856 [0,0,0,0,0,1|2,0,1]=4 327 B9R1.1 CC1=CN=C(C=O)C=C1 AM20061809 [0,0,0,0,0,1|1,0,2]=4 328 B9R1.1 CC1=CN=C(CCl)C=C1 AM85006 [0,0,0,0,0,1|2,0,0]=3 329 B9R1.1 CC1=CN=C(CCl)N=C1 AMY15727 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.1 CC1=CN=C(CN)C=C1 AM20051199 [0,0,0,0,0,1|2,0,0]=3 331 B9R1.1 CC1=CN=C(CN)C=N1 AMY23757 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.1 CC1=CN=C(CN)C=N1 AMY35804 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.1 CC1=CN=C(CN)N=C1 AM804561 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.1 CC1=CN=C(CO)C=C1 AM803557 [0,0,0,0,0,1|1,0,0]=2 335 B9R1.1 CC1=CN=C(CO)C=N1 AMY28834 [0,0,0,0,0,1|2,0,0]=3 336 B9R1.1 CC1=CN=C(CO)N=C1 AM804532 [0,0,0,0,0,1|2,0,0]=3 337 B9R1.1 CC1=CN=C(NN)C=C1 AMY29076 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.1 CC1=CN=C(NN)C=C1 AMY9286 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.1 CC1=NC=C(C#N)C=C1 AM20061872 [0,0,0,0,0,1|2,0,1]=4 340 B9R1.1 CC1=NC=C(C=O)C=C1 AM20061285 [0,0,0,0,0,1|1,0,2]=4 341 B9R1.1 CC1=NC=C(CBr)C=C1 AM85398 [0,0,0,0,0,1|2,0,0]=3 342 B9R1.1 CC1=NC=C(CBr)C=C1 AM85399 [0,0,0,0,0,1|2,0,0]=3 343 B9R1.1 CC1=NC=C(CCl)C=C1 AMY3651 [0,0,0,0,0,1|2,0,0]=3 344 B9R1.1 CC1=NC=C(CCl)C=N1 AMY10982 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.1 CC1=NC=C(CN)C=C1 AM20061333 [0,0,0,0,0,1|2,0,0]=3 346 B9R1.1 CC1=NC=C(CN)C=N1 AMY37661 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.1 CC1=NC=C(CO)C=C1 AM85397 [0,0,0,0,0,1|1,0,0]=2 348 B9R1.1 CC1=NC=C(CO)C=N1 AMY10939 [0,0,0,0,0,1|2,0,0]=3 349 B9R1.1 CC1=NC=C(NN)C=C1 AMY16394 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.1 CC1=NN=C(C#N)C=C1 AMY11794 [0,0,0,0,0,1|2,0,1]=4 351 B9R1.1 CCC1=CC=C(Br)C=C1 AM20050263 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.1 CCC1=CC=C(C)C=C1 AM20040885 [0,0,0,0,0,1|2,0,0]=3 353 B9R1.1 CCC1=CC=C(N)C=C1 AM806842 [0,0,0,0,0,1|3,0,0]=4 354 B9R1.1 CCC1=CC=C(O)C=C1 AMY8780 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.1 CCC1=CN=C(C)C=C1 AMY21865 [0,0,0,0,0,1|2,0,0]=3 356 B9R1.1 CCC1=NC=C(Br)C=C1 AMY7733 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.1 CCC1=NC=C(N)C=C1 AM20050741 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.1 COC1=CC=C(C)C=C1 AMY5180 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.1 COC1=NC=C(C)C=C1 AMY31238 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.1 COC1=NN=C(C)C=C1 AMY25055 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.1 ClC1=CC=C(CBr)C=C1 AM20040884 [0,0,0,0,0,1|3,0,0]=4 362 B9R1.1 ClC1=NC=C(CBr)C=C1 AM100420 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.1 ClC1=NN=C(CBr)C=C1 AM101369 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.1 ClC1=NN=C(CBr)C=C1 AM94118 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.1 ClCC1=CC=C(Br)C=C1 AM62180 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.1 ClCC1=CC=C(Cl)C=C1 AM90499 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.1 ClCC1=CN=C(Cl)C=C1 AM81289 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.1 ClCC1=NC=C(Cl)C=C1 AMY39580 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.1 ClCC1=NN=C(Cl)C=C1 AM91099 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.1 ClCC1=NN=C(Cl)C=C1 AM99037 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.1 FC1=CC=C(CBr)C=C1 AM20040515 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.1 FC1=CC=C(CCl)C=C1 AM100704 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.1 FC1=CN=C(CCl)C=C1 AMY3096 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.1 FC1=NC=C(CBr)C=C1 AM20050637 [0,0,0,0,0,1|3,0,0]=4 375 B9R1.1 FCC1=CC=C(Br)C=C1 AM806120 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.1 NC1=CC=C(CO)C=C1 AM20040888 [0,0,0,0,0,1|2,0,0]=3 377 B9R1.1 NC1=NC=C(CO)C=C1 AM20050678 [0,0,0,0,0,1|2,0,0]=3 378 B9R1.1 NC1=NC=C(CO)C=N1 AMY048 [0,0,0,0,0,1|3,0,0]=4 379 B9R1.1 NCC1=CC=C(Br)C=C1 AM86931 [0,0,0,0,0,1|3,0,0]=4 380 B9R1.1 NCC1=CC=C(F)C=C1 AM20020467 [0,0,0,0,0,1|3,0,0]=4 381 B9R1.1 NCC1=CC=C(N)C=C1 AM20040484 [0,0,0,0,0,1|3,0,0]=4 382 B9R1.1 NCC1=CC=C(N)C=C1 AM20040693 [0,0,0,0,0,1|3,0,0]=4 383 B9R1.1 NCC1=CC=C(O)C=C1 AM20060931 [0,0,0,0,0,1|3,0,0]=4 384 B9R1.1 NCC1=CC=C(O)C=C1 AMY22883 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.1 NCC1=CN=C(Br)C=C1 AM20050712 [0,0,0,0,0,1|3,0,0]=4 386 B9R1.1 NCC1=CN=C(Br)C=C1 AM91176 [0,0,0,0,0,1|3,0,0]=4 387 B9R1.1 NCC1=CN=C(Cl)C=C1 AM100289 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.1 NCC1=CN=C(Cl)C=C1 AM81290 [0,0,0,0,0,1|3,0,0]=4 389 B9R1.1 NCC1=CN=C(F)C=C1 AMY34453 [0,0,0,0,0,1|3,0,0]=4 390 B9R1.1 NCC1=NC=C(Br)C=C1 AM20130028 [0,0,0,0,0,1|3,0,0]=4 391 B9R1.1 NCC1=NC=C(Br)C=C1 AM803118 [0,0,0,0,0,1|3,0,0]=4 392 B9R1.1 NCC1=NC=C(Cl)C=C1 AMY41152 [0,0,0,0,0,1|3,0,0]=4 393 B9R1.1 NCC1=NC=C(Cl)C=C1 AMY6195 [0,0,0,0,0,1|3,0,0]=4 394 B9R1.1 NCC1=NC=C(F)C=C1 AMY7874 [0,0,0,0,0,1|3,0,0]=4 395 B9R1.1 NCC1=NN=C(Cl)C=C1 AM101424 [0,0,0,0,0,1|3,0,0]=4 396 B9R1.1 NCC1=NN=C(Cl)C=C1 AM99566 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.1 OCC1=CC=C(Br)C=C1 AM20050135 [0,0,0,0,0,1|2,0,0]=3 398 B9R1.1 OCC1=CC=C(F)C=C1 AM61577 [0,0,0,0,0,1|2,0,0]=3 399 B9R1.1 OCC1=CC=C(I)C=C1 AM20030209 [0,0,0,0,0,1|2,0,0]=3 400 B9R1.1 OCC1=CC=C(O)C=C1 AM20050567 [0,0,0,0,0,1|2,0,0]=3 401 B9R1.1 OCC1=CC=C(S)C=C1 AM20040654 [0,0,0,0,0,1|2,0,0]=3 402 B9R1.1 OCC1=CN=C(Br)C=C1 AM86410 [0,0,0,0,0,1|2,0,0]=3 403 B9R1.1 OCC1=CN=C(Cl)C=C1 AM20070281 [0,0,0,0,0,1|2,0,0]=3 404 B9R1.1 OCC1=CN=C(Cl)C=N1 AM20070384 [0,0,0,0,0,1|3,0,0]=4 405 B9R1.1 OCC1=CN=C(F)C=C1 AMY7968 [0,0,0,0,0,1|2,0,0]=3 406 B9R1.1 OCC1=CN=C(O)C=C1 AMY4799 [0,0,0,0,0,1|2,0,0]=3 407 B9R1.1 OCC1=NC=C(Br)C=C1 AM20070062 [0,0,0,0,0,1|2,0,0]=3 408 B9R1.1 OCC1=NC=C(Cl)C=C1 AMY16400 [0,0,0,0,0,1|2,0,0]=3 409 B9R1.1 OCC1=NC=C(Cl)C=N1 AMY28727 [0,0,0,0,0,1|3,0,0]=4 410 B9R1.1 OCC1=NC=C(F)C=C1 AM20061519 [0,0,0,0,0,1|2,0,0]=3 411 B9R1.1 OCC1=NC=C(O)C=C1 AMY41953 [0,0,0,0,0,1|2,0,0]=3 412 B9R1.1 OCC1=NC=C(O)C=N1 AM806495 [0,0,0,0,0,1|3,0,0]=4 413 B9R1.1 OCC1=NN=C(Cl)C=C1 AMY17340 [0,0,0,0,0,1|2,0,0]=3 414 B9R1.2 BrCC1=CC(Br)=NC=C1 AM101325 [0,0,0,0,0,1|3,0,0]=4 415 B9R1.2 BrCC1=CC(Br)=NC=C1 AM92922 [0,0,0,0,0,1|3,0,0]=4 416 B9R1.2 BrCC1=CC=CC(Br)=C1 AM20041204 [0,0,0,0,0,1|3,0,0]=4 417 B9R1.2 BrCC1=CC=CC(Br)=N1 AM20061528 [0,0,0,0,0,1|3,0,0]=4 418 B9R1.2 BrCC1=CC=CC(I)=C1 AM20040565 [0,0,0,0,0,1|3,0,0]=4 419 B9R1.2 C=CC1=CC(C)=CC=C1 AMY7013 [0,0,0,0,0,1|2,0,1]=4 420 B9R1.2 CC1=CC(C#N)=CN=C1 AMY20773 [0,0,0,0,0,1|2,0,1]=4 421 B9R1.2 CC1=CC(C#N)=NC=C1 AM803282 [0,0,0,0,0,1|2,0,1]=4 422 B9R1.2 CC1=CC(C=O)=CN=C1 AMY30542 [0,0,0,0,0,1|1,0,2]=4 423 B9R1.2 CC1=CC(C=O)=NC=C1 AM804013 [0,0,0,0,0,1|1,0,2]=4 424 B9R1.2 CC1=CC(CN)=NC=C1 AM803142 [0,0,0,0,0,1|2,0,0]=3 425 B9R1.2 CC1=CC(CO)=CN=C1 AM802845 [0,0,0,0,0,1|1,0,0]=2 426 B9R1.2 CC1=CC(CO)=NC=C1 AMY19901 [0,0,0,0,0,1|1,0,0]=2 427 B9R1.2 CC1=CC(NN)=NC=C1 AM20061806 [0,0,0,0,0,1|3,0,0]=4 428 B9R1.2 CC1=CC=CC(C#N)=C1 AM20050191 [0,0,0,0,0,1|2,0,1]=4 429 B9R1.2 CC1=CC=CC(C#N)=N1 AM20050855 [0,0,0,0,0,1|2,0,1]=4 430 B9R1.2 CC1=CC=CC(C=O)=N1 AM20070025 [0,0,0,0,0,1|1,0,2]=4 431 B9R1.2 CC1=CC=CC(CBr)=C1 AM81462 [0,0,0,0,0,1|2,0,0]=3 432 B9R1.2 CC1=CC=CC(CCl)=N1 AM803672 [0,0,0,0,0,1|2,0,0]=3 433 B9R1.2 CC1=CC=CC(CCl)=N1 AMY2371 [0,0,0,0,0,1|2,0,0]=3 434 B9R1.2 CC1=CC=CC(CN)=C1 AM83138 [0,0,0,0,0,1|2,0,0]=3 435 B9R1.2 CC1=CC=CC(CN)=N1 AM804203 [0,0,0,0,0,1|2,0,0]=3 436 B9R1.2 CC1=CC=CC(CN)=N1 AMY29079 [0,0,0,0,0,1|2,0,0]=3 437 B9R1.2 CC1=CC=CC(CO)=C1 AMY30365 [0,0,0,0,0,1|1,0,0]=2 438 B9R1.2 CC1=CC=CC(CO)=N1 AM802937 [0,0,0,0,0,1|1,0,0]=2 439 B9R1.2 CC1=CC=CC(NN)=C1 AM20050183 [0,0,0,0,0,1|3,0,0]=4 440 B9R1.2 CC1=CC=CC(NN)=N1 AM87040 [0,0,0,0,0,1|3,0,0]=4 441 B9R1.2 CC1=CC=NC(C#N)=N1 AM20120565 [0,0,0,0,0,1|2,0,1]=4 442 B9R1.2 CC1=CC=NC(CN)=N1 AM804564 [0,0,0,0,0,1|2,0,0]=3 443 B9R1.2 CC1=CC=NC(CO)=N1 AM806503 [0,0,0,0,0,1|1,0,0]=2 444 B9R1.2 CC1=CN=CC(C=O)=N1 AM803004 [0,0,0,0,0,1|1,0,2]=4 445 B9R1.2 CC1=CN=CC(CN)=C1 AM804347 [0,0,0,0,0,1|2,0,0]=3 446 B9R1.2 CC1=NC=CC(C#N)=C1 AM803533 [0,0,0,0,0,1|2,0,1]=4 447 B9R1.2 CC1=NC=CC(C=O)=C1 AM804183 [0,0,0,0,0,1|1,0,2]=4 448 B9R1.2 CC1=NC=CC(C=O)=N1 AMY11013 [0,0,0,0,0,1|1,0,2]=4 449 B9R1.2 CC1=NC=CC(CCl)=C1 AMY17220 [0,0,0,0,0,1|2,0,0]=3 450 B9R1.2 CC1=NC=CC(CN)=C1 AM803175 [0,0,0,0,0,1|2,0,0]=3 451 B9R1.2 CC1=NC=CC(CN)=C1 AM804587 [0,0,0,0,0,1|2,0,0]=3 452 B9R1.2 CC1=NC=CC(CO)=C1 AMY17223 [0,0,0,0,0,1|1,0,0]=2 453 B9R1.2 CCC1=CC(Br)=NC=C1 AMY29190 [0,0,0,0,0,1|3,0,0]=4 454 B9R1.2 CCC1=CC=CC(Br)=C1 AMY28339 [0,0,0,0,0,1|3,0,0]=4 455 B9R1.2 CCC1=CC=CC(Cl)=C1 AMY28190 [0,0,0,0,0,1|3,0,0]=4 456 B9R1.2 CCC1=CC=CC(F)=C1 AMY36974 [0,0,0,0,0,1|3,0,0]=4 457 B9R1.2 CCC1=CC=CC(N)=C1 AMY38122 [0,0,0,0,0,1|3,0,0]=4 458 B9R1.2 CCC1=NC(C)=CC=C1 AMY2883 [0,0,0,0,0,1|2,0,0]=3 459 B9R1.2 CNC1=NC(C)=CC=C1 AM87505 [0,0,0,0,0,1|3,0,0]=4 460 B9R1.2 CNC1=NC(C)=CC=N1 AM100283 [0,0,0,0,0,1|3,0,0]=4 461 B9R1.2 COC1=CC(C)=CC=C1 AMY5179 [0,0,0,0,0,1|3,0,0]=4 462 B9R1.2 COC1=CC(C)=NC=C1 AMY6270 [0,0,0,0,0,1|3,0,0]=4 463 B9R1.2 COC1=NC(C)=CC=C1 AM87109 [0,0,0,0,0,1|3,0,0]=4 464 B9R1.2 COC1=NC=CC(C)=C1 AMY29201 [0,0,0,0,0,1|3,0,0]=4 465 B9R1.2 ClC1=CC=CC(CBr)=C1 AM20041138 [0,0,0,0,0,1|3,0,0]=4 466 B9R1.2 ClC1=CC=CC(CBr)=N1 AMY30242 [0,0,0,0,0,1|3,0,0]=4 467 B9R1.2 ClC1=NC=CC(CBr)=C1 AM85922 [0,0,0,0,0,1|3,0,0]=4 468 B9R1.2 ClC1=NC=CC(CBr)=N1 AM100409 [0,0,0,0,0,1|3,0,0]=4 469 B9R1.2 ClCC1=CC(Br)=CN=C1 AM20051149 [0,0,0,0,0,1|3,0,0]=4 470 B9R1.2 ClCC1=CC(Cl)=CN=C1 AMY12264 [0,0,0,0,0,1|3,0,0]=4 471 B9R1.2 ClCC1=CC=CC(Br)=C1 AM62181 [0,0,0,0,0,1|3,0,0]=4 472 B9R1.2 ClCC1=CC=CC(Br)=N1 AMY30300 [0,0,0,0,0,1|3,0,0]=4 473 B9R1.2 ClCC1=CC=CC(Cl)=C1 AM101038 [0,0,0,0,0,1|3,0,0]=4 474 B9R1.2 ClCC1=NC=CC(Cl)=C1 AM20050618 [0,0,0,0,0,1|3,0,0]=4 475 B9R1.2 FC1=CC=CC(CBr)=C1 AM20040511 [0,0,0,0,0,1|3,0,0]=4 476 B9R1.2 FC1=CC=CC(CCl)=C1 AM81465 [0,0,0,0,0,1|3,0,0]=4 477 B9R1.2 NC1=CC(CO)=NC=N1 AMY5757 [0,0,0,0,0,1|3,0,0]=4 478 B9R1.2 NC1=CC=CC(CO)=C1 AM20060200 [0,0,0,0,0,1|2,0,0]=3 479 B9R1.2 NC1=CC=CC(CO)=N1 AM87215 [0,0,0,0,0,1|2,0,0]=3 480 B9R1.2 NC1=CC=NC(CCl)=N1 AMY10900 [0,0,0,0,0,1|3,0,0]=4 481 B9R1.2 NC1=NC=CC(CCl)=C1 AMY19864 [0,0,0,0,0,1|3,0,0]=4 482 B9R1.2 NC1=NC=CC(CO)=C1 AM20050631 [0,0,0,0,0,1|2,0,0]=3 483 B9R1.2 NCC1=CC(=O)NC=C1 AMY33767 [0,0,0,0,0,1|3,0,0]=4 484 B9R1.2 NCC1=CC(Br)=CN=C1 AMY27482 [0,0,0,0,0,1|3,0,0]=4 485 B9R1.2 NCC1=CC(Br)=NC=C1 AM85356 [0,0,0,0,0,1|3,0,0]=4 486 B9R1.2 NCC1=CC(Br)=NC=C1 AM94353 [0,0,0,0,0,1|3,0,0]=4 487 B9R1.2 NCC1=CC(Cl)=CN=C1 AMY41747 [0,0,0,0,0,1|3,0,0]=4 488 B9R1.2 NCC1=CC(Cl)=NC=C1 AM803217 [0,0,0,0,0,1|3,0,0]=4 489 B9R1.2 NCC1=CC(Cl)=NC=C1 AMY4252 [0,0,0,0,0,1|3,0,0]=4 490 B9R1.2 NCC1=CC(F)=CN=C1 AMY12117 [0,0,0,0,0,1|3,0,0]=4 491 B9R1.2 NCC1=CC(F)=NC=C1 AMY19160 [0,0,0,0,0,1|3,0,0]=4 492 B9R1.2 NCC1=CC(N)=NC=C1 AMY9011 [0,0,0,0,0,1|3,0,0]=4 493 B9R1.2 NCC1=CC=CC(Br)=C1 AM20050131 [0,0,0,0,0,1|3,0,0]=4 494 B9R1.2 NCC1=CC=CC(Br)=N1 AM20050912 [0,0,0,0,0,1|3,0,0]=4 495 B9R1.2 NCC1=CC=CC(Br)=N1 AMY5409 [0,0,0,0,0,1|3,0,0]=4 496 B9R1.2 NCC1=CC=CC(Cl)=N1 AMY10223 [0,0,0,0,0,1|3,0,0]=4 497 B9R1.2 NCC1=CC=CC(F)=C1 AM20020061 [0,0,0,0,0,1|3,0,0]=4 498 B9R1.2 NCC1=CC=CC(I)=C1 AMY607 [0,0,0,0,0,1|3,0,0]=4 499 B9R1.2 NCC1=CC=CC(N)=C1 AM20040483 [0,0,0,0,0,1|3,0,0]=4 500 B9R1.2 NCC1=CC=CC(N)=N1 AMY30238 [0,0,0,0,0,1|3,0,0]=4 501 B9R1.2 NCC1=NC=CC(Br)=C1 AMY19146 [0,0,0,0,0,1|3,0,0]=4 502 B9R1.2 NCC1=NC=CC(Br)=C1 AMY34516 [0,0,0,0,0,1|3,0,0]=4 503 B9R1.2 NCC1=NC=CC(Cl)=C1 AM803394 [0,0,0,0,0,1|3,0,0]=4 504 B9R1.2 O=C1C=C(CO)C=CN1 AM20050749 [0,0,0,0,0,1|2,0,0]=3 505 B9R1.2 OC1=CC=CC(CBr)=C1 AMY22500 [0,0,0,0,0,1|3,0,0]=4 506 B9R1.2 OCC1=CC(Br)=CN=C1 AM20061687 [0,0,0,0,0,1|2,0,0]=3 507 B9R1.2 OCC1=CC(Br)=NC=C1 AM20070193 [0,0,0,0,0,1|2,0,0]=3 508 B9R1.2 OCC1=CC(Cl)=CN=C1 AM20070007 [0,0,0,0,0,1|2,0,0]=3 509 B9R1.2 OCC1=CC(Cl)=NC=C1 AM802825 [0,0,0,0,0,1|2,0,0]=3 510 B9R1.2 OCC1=CC(Cl)=NC=N1 AMY38518 [0,0,0,0,0,1|3,0,0]=4 511 B9R1.2 OCC1=CC(F)=NC=C1 AMY26902 [0,0,0,0,0,1|2,0,0]=3 512 B9R1.2 OCC1=CC(O)=CN=C1 AMY28901 [0,0,0,0,0,1|2,0,0]=3 513 B9R1.2 OCC1=CC=CC(Br)=C1 AM81354 [0,0,0,0,0,1|2,0,0]=3 514 B9R1.2 OCC1=CC=CC(Br)=N1 AM20051087 [0,0,0,0,0,1|2,0,0]=3 515 B9R1.2 OCC1=CC=CC(Cl)=N1 AMY31347 [0,0,0,0,0,1|2,0,0]=3 516 B9R1.2 OCC1=CC=CC(Cl)=N1 AMY9261 [0,0,0,0,0,1|2,0,0]=3 517 B9R1.2 OCC1=CC=CC(F)=N1 AMY9105 [0,0,0,0,0,1|2,0,0]=3 518 B9R1.2 OCC1=CC=CC(I)=C1 AM20040750 [0,0,0,0,0,1|2,0,0]=3 519 B9R1.2 OCC1=NC=CC(Br)=C1 AM20050765 [0,0,0,0,0,1|2,0,0]=3 520 B9R1.2 OCC1=NC=CC(Cl)=C1 AM20070274 [0,0,0,0,0,1|2,0,0]=3 521 B9R1.2 OCC1=NC=CC(O)=C1 AM20061554 [0,0,0,0,0,1|2,0,0]=3 522 B9R1.2 SCC1=CC=CC(Cl)=C1 AM100584 [0,0,0,0,0,1|2,1,0]=4 523 B6R0.1 C=CC(=O)OCC AMY40211 [1,0,1,0,0,0|0,0,2]=4 524 B6R0.1 CC\C=C(/C)C=O AMY2564 [1,0,1,0,0,0|2,0,0]=4 525 B6R0.4 O=C(O)\C=C\CBr AMY7050 [1,0,1,0,0,0|2,0,0]=4 526 B6R0.6 C\C=C\CCCO AMY2616 [1,0,1,0,0,0|0,0,2]=4 527 B6R0.9 C=C[C@@H](CC)CO AMY36984 [1,0,1,0,0,0|0,0,2]=4 528 B6R1.2 BrC1=CC=CO1 AMY11096 [2,0,0,0,0,0|1,0,0]=3 529 B6R1.2 BrC1=CC=CS1 AMY21853 [2,0,0,0,0,0|1,1,0]=4 530 B6R1.2 BrC1=CC=NO1 AMY42513 [2,0,0,0,0,0|2,0,0]=4 531 B6R1.2 CC1=CC=CN1 AMY18997 [2,0,0,0,0,0|1,0,0]=3 532 B6R1.2 CC1=CC=CO1 AMY11051 [2,0,0,0,0,0|0,0,0]=2 533 B6R1.2 CC1=CC=CS1 AMY23234 [2,0,0,0,0,0|0,1,0]=3 534 B6R1.2 CC1=CC=NN1 AM20120265 [2,0,0,0,0,0|2,0,0]=4 535 B6R1.2 CC1=CC=NO1 AM20100414 [2,0,0,0,0,0|1,0,0]=3 536 B6R1.2 CC1=CN=C[Tb]1 AMY33347 [2,0,0,0,0,0|2,0,0]=4 537 B6R1.2 CC1=CNC=C1 AMY14173 [2,0,0,0,0,0|2,0,0]=4 538 B6R1.2 CC1=CNC=N1 AMY23279 [2,0,0,0,0,0|2,0,0]=4 539 B6R1.2 CC1=COC=N1 AMY32123 [2,0,0,0,0,0|2,0,0]=4 540 B6R1.2 CC1=CSC=C1 AMY40151 [2,0,0,0,0,0|2,0,0]=4 541 B6R1.2 CC1=CSC=N1 AM20100646 [2,0,0,0,0,0|2,0,0]=4 542 B6R1.2 CC1=NC=CN1 AM20100647 [2,0,0,0,0,0|2,0,0]=4 543 B6R1.2 CC1=NC=CO1 AMY24088 [2,0,0,0,0,0|1,0,0]=3 544 B6R1.2 CC1=NC=CS1 AM20090566 [2,0,0,0,0,0|1,1,0]=4 545 B6R1.2 CC1=NN=CO1 AM20090539 [2,0,0,0,0,0|2,0,0]=4 546 B6R1.2 CC1=NNC=C1 AM62623 [2,0,0,0,0,0|2,0,0]=4 547 B6R1.2 CN1C=CC=C1 AM10659 [2,0,0,0,0,0|2,0,0]=4 548 B6R1.2 CN1C=CC=N1 AM20120336 [2,0,0,0,0,0|2,0,0]=4 549 B6R1.2 ClC1=CC=CS1 AM82003 [2,0,0,0,0,0|1,1,0]=4 550 B6R1.2 FC1=CC=CS1 AM85431 [2,0,0,0,0,0|1,1,0]=4 551 B6R1.2 IC1=CC=CS1 AM86883 [2,0,0,0,0,0|1,1,0]=4 552 B6R1.2 IC1=NC=CO1 AMY33608 [2,0,0,0,0,0|2,0,0]=4 553 B6R1.2 NC1=CC=NO1 AM20080357 [2,0,0,0,0,0|2,0,0]=4 554 B6R1.2 NC1=NC=CO1 AM20100168 [2,0,0,0,0,0|2,0,0]=4 555 B6R1.2 O=C1C=CCO1 AM20100212 [2,0,0,0,0,0|0,0,2]=4 556 B6R1.2 O=C1OC=CO1 AMY10397 [2,0,0,0,0,0|1,0,1]=4 557 B6R1.2 OC1=NNC=C1 AMY4993 [2,0,0,0,0,0|2,0,0]=4 558 B6R1.2 OC1=NOC=C1 AMY12303 [2,0,0,0,0,0|2,0,0]=4 559 B6R1.2 ON1C=CC=N1 AMY34612 [2,0,0,0,0,0|2,0,0]=4 560 B6R1.2 SC1=CC=CS1 AMY33408 [2,0,0,0,0,0|0,2,0]=4 561 B8R1.7 CC(=O)C1=CC=CO1 AM91073 [1,1,0,0,0,0|0,0,2]=4 562 B8R1.7 CC(C)C1=CC=CO1 AMY39189 [1,1,0,0,0,0|1,0,0]=3 563 B8R1.7 C[C@H](Cl)C1=CC=CN1 AM91548 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.7 C[C@H](Cl)C1=CC=CO1 AM100959 [1,1,0,0,0,0|1,0,0]=3 565 B8R1.7 C[C@H](Cl)C1=CC=CS1 AM100622 [1,1,0,0,0,0|1,1,0]=4 566 B8R1.7 C[C@H](N)C1=CC=CS1 AM804160 [1,1,0,0,0,0|1,1,0]=4 567 B8R1.7 C[C@H](O)C1=CC=CN1 AM100960 [1,1,0,0,0,0|1,0,0]=3 568 B8R1.7 C[C@H](O)C1=CC=CO1 AM100808 [1,1,0,0,0,0|0,0,0]=2 569 B8R1.7 C[C@H](O)C1=CC=CS1 AM804356 [1,1,0,0,0,0|0,1,0]=3 570 B8R1.7 C[C@H](O)C1=CNC=N1 AM806534 [1,1,0,0,0,0|2,0,0]=4 571 B8R1.7 C[C@H](O)C1=NC=CS1 AM100799 [1,1,0,0,0,0|1,1,0]=4 572 B8R1.7 NC(=O)C1=CC=CO1 AMY19477 [1,1,0,0,0,0|0,0,2]=4 573 B8R1.7 O=C(O)C1=CC=CN1 AM20100569 [1,1,0,0,0,0|1,0,1]=4 574 B8R1.7 O=C(O)C1=CC=CS1 AM20100294 [1,1,0,0,0,0|0,1,1]=4 575 B8R1.7 O=C(O)C1=CC=NO1 AM20090179 [1,1,0,0,0,0|1,0,1]=4 576 B8R1.7 O=C(O)C1=CN=CO1 AM10000 [1,1,0,0,0,0|1,0,1]=4 577 B8R1.7 O=C(O)C1=NC=CO1 AM20100620 [1,1,0,0,0,0|1,0,1]=4 578 B8R1.7 O=[N+]([O-])C1=CC=CO1 AM20100483 [1,1,0,0,0,0|1,0,1]=4 579 B8R1.7 OB(O)C1=CC=CO1 AM20080239 [1,1,0,0,0,0|1,0,0]=3 580 B8R1.7 OB(O)C1=CC=CS1 AM804138 [1,1,0,0,0,0|1,1,0]=4 581 B8R1.8 CNCC1=CC=CS1 AM20100421 [1,1,0,0,0,0|1,1,0]=4 582 B8R1.8 N#CCC1=CC=CO1 AMY31197 [1,1,0,0,0,0|1,0,0]=3 583 B8R1.8 N#CCC1=CC=CS1 AMY23238 [1,1,0,0,0,0|1,1,0]=4 584 B8R1.8 NCCC1=CC=CN1 AMY32066 [1,1,0,0,0,0|2,0,0]=4 585 B8R1.8 NCCC1=CC=CO1 AM20080071 [1,1,0,0,0,0|1,0,0]=3 586 B8R1.8 NCCC1=CC=CS1 AM803664 [1,1,0,0,0,0|1,1,0]=4 587 B8R1.8 OCCC1=CC=CS1 AM82007 [1,1,0,0,0,0|0,1,0]=3 588 B8R1.8 OCCC1=CNC=N1 AMY18268 [1,1,0,0,0,0|2,0,0]=4 589 B8R1.8 OCCC1=CSC=C1 AM61323 [1,1,0,0,0,0|2,0,0]=4 590 B8R1.8 OCCC1=NNC=C1 AMY23474 [1,1,0,0,0,0|2,0,0]=4 591 B8R1.8 OCCN1C=CC=N1 AMY20089 [1,1,0,0,0,0|2,0,0]=4 592 B8R1.8 O\N=C\C1=CC=CN1 AM806542 [1,1,0,0,0,0|1,0,1]=4 593 B8R1.11 CC1=C(CBr)OC=N1 AM101188 [1,1,0,0,0,0|2,0,0]=4 594 B8R1.11 CC1=C(CBr)SC=C1 AM100282 [1,1,0,0,0,0|1,1,0]=4 595 B8R1.11 CC1=C(CCl)OC=N1 AM100833 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.11 CC1=C(CI)OC=N1 AM99832 [1,1,0,0,0,0|2,0,0]=4 597 B8R1.11 CC1=C(CN)SC=C1 AM802867 [1,1,0,0,0,0|1,1,0]=4 598 B8R1.11 CC1=C(CO)C=CO1 AMY41934 [1,1,0,0,0,0|2,0,0]=4 599 B8R1.11 CC1=C(CO)N=CN1 AM20100024 [1,1,0,0,0,0|2,0,0]=4 600 B8R1.11 CC1=C(CO)N=CN1 AM803651 [1,1,0,0,0,0|2,0,0]=4 601 B8R1.11 CC1=C(CO)OC=N1 AM20100164 [1,1,0,0,0,0|1,0,0]=3 602 B8R1.11 CC1=C(CO)SC=C1 AM804179 [1,1,0,0,0,0|0,1,0]=3 603 B8R1.11 CC1=C(CS)OC=N1 AM99259 [1,1,0,0,0,0|1,1,0]=4 604 B8R1.11 CCC1=CC=CN1N AMY31540 [1,1,0,0,0,0|2,0,0]=4 605 B8R1.11 CN1C=CC=C1CBr AM91469 [1,1,0,0,0,0|2,0,0]=4 606 B8R1.11 CN1C=CC=C1CCl AM91470 [1,1,0,0,0,0|2,0,0]=4 607 B8R1.11 CN1C=CC=C1CI AM98715 [1,1,0,0,0,0|2,0,0]=4 608 B8R1.11 CN1C=CC=C1CO AM100905 [1,1,0,0,0,0|1,0,0]=3 609 B8R1.11 CN1C=CC=C1CS AM101003 [1,1,0,0,0,0|1,1,0]=4 610 B8R1.11 CN1C=CN=C1CO AMY11863 [1,1,0,0,0,0|2,0,0]=4 611 B8R1.11 CN1C=NC=C1CO AM803827 [1,1,0,0,0,0|2,0,0]=4 612 B8R1.11 CN1N=CC=C1CO AM80874 [1,1,0,0,0,0|2,0,0]=4 613 B8R1.11 NCC1=C(Cl)C=CS1 AMY23930 [1,1,0,0,0,0|1,1,0]=4 614 B8R1.11 O=CC1=C(Br)C=CO1 AMY20256 [1,1,0,0,0,0|0,0,2]=4 615 B8R1.11 OCC1=C(Br)C=CS1 AMY34404 [1,1,0,0,0,0|0,1,0]=3 616 B8R1.11 OCC1=C(Br)SC=C1 AMY7269 [1,1,0,0,0,0|2,0,0]=4 617 B8R1.18 CC1=C(Br)C=C(Br)S1 AMY10881 [1,1,0,0,0,0|1,1,0]=4 618 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [1,1,0,0,0,0|1,0,1]=4 619 B8R1.18 CC1=CC(I)=C(C)S1 AMY5425 [1,1,0,0,0,0|0,1,0]=3 620 B8R1.18 CC1=NC(C)=C(Br)S1 AM20090367 [1,1,0,0,0,0|2,0,0]=4 621 B8R1.18 CC1=NN(C)C(Br)=C1 AM20100406 [1,1,0,0,0,0|2,0,0]=4 622 B8R1.18 CC1=NN(C)C(Br)=C1 AMY33891 [1,1,0,0,0,0|2,0,0]=4 623 B8R1.18 CC1=NN(C)C(Cl)=C1 AMY12259 [1,1,0,0,0,0|2,0,0]=4 624 B8R1.18 CC1=NN(C)C(N)=C1 AM9887 [1,1,0,0,0,0|2,0,0]=4 625 B8R1.18 CC1=NN(C)C(N)=C1 AM9899 [1,1,0,0,0,0|2,0,0]=4 626 B8R1.18 CC1=NN(C)C(O)=C1 AM20100282 [1,1,0,0,0,0|2,0,0]=4 627 B8R1.18 CC1=NN(C)C=C1Br AM804077 [1,1,0,0,0,0|2,0,0]=4 628 B8R1.18 CC1=NN(C)C=C1I AMY33181 [1,1,0,0,0,0|2,0,0]=4 629 B8R1.18 CC1=NN(C)C=C1N AM802955 [1,1,0,0,0,0|2,0,0]=4 630 B8R1.18 CC1=NN(C)C=C1N AM804192 [1,1,0,0,0,0|2,0,0]=4 631 B8R1.18 CC1=NN(C)C=C1N AMY36464 [1,1,0,0,0,0|2,0,0]=4 632 B8R1.18 CC1=NN(C)C=C1O AMY33277 [1,1,0,0,0,0|2,0,0]=4 633 B8R1.18 O=C1C=C(Br)C(=O)O1 AMY844 [1,1,0,0,0,0|1,0,1]=4 634 B8R1.50 CC1=CSC(C)=C1Br AMY28879 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.1 CC1=CC=C(CC#N)C=C1 AM20061229 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.1 CC1=NC=C(CCO)C=C1 AMY16174 [0,1,0,0,0,1|1,0,0]=3 637 B10R1.1 CNCC1=CC=C(C)C=C1 AM20061047 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.1 COCC1=CC=C(Br)C=C1 AM90057 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.1 COCC1=CC=C(Cl)C=C1 AM86383 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.1 COCC1=CC=C(N)C=C1 AMY20317 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.1 COCC1=CN=C(Br)C=C1 AM101168 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.1 COCC1=CN=C(Cl)C=C1 AM90427 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.1 COCC1=NN=C(Cl)C=C1 AM91559 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.1 COCC1=NN=C(Cl)C=C1 AM98010 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.1 NC1=CC=C(CCO)C=C1 AM84233 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.1 NOCC1=CC=C(Cl)C=C1 AM90374 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.1 NOCC1=CC=C(F)C=C1 AM90371 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.1 OCCC1=CC=C(Br)C=C1 AM20060213 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.1 OCCC1=CC=C(Cl)C=C1 AM20030229 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.1 OCCC1=CC=C(F)C=C1 AM84232 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.1 OCCC1=CC=C(I)C=C1 AM20040637 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.1 OCCC1=CC=C(O)C=C1 AM20060146 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.1 OCCC1=CN=C(Cl)C=C1 AMY30399 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.3 BrCC1=CC=C(CBr)C=C1 AM20040889 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.3 C#CC1=CC=C(CO)C=C1 AMY1232 [0,1,0,0,0,1|1,0,1]=4 656 B10R1.3 CCC1=CC=C(CCl)C=C1 AMY28231 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.3 CCC1=CC=C(CN)C=C1 AMY202100121 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.3 CCC1=CN=C(CO)C=C1 AMY14112 [0,1,0,0,0,1|1,0,0]=3 659 B10R1.3 COC1=CC=C(CBr)C=C1 AMY28673 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.3 COC1=CC=C(CCl)C=C1 AM101321 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.3 COC1=CC=C(CN)C=C1 AMY18068 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.3 COC1=CC=C(CO)C=C1 AM20020146 [0,1,0,0,0,1|1,0,0]=3 663 B10R1.3 COC1=CC=C(CS)C=C1 AMY12282 [0,1,0,0,0,1|1,1,0]=4 664 B10R1.3 COC1=CN=C(CO)C=C1 AMY10061 [0,1,0,0,0,1|1,0,0]=3 665 B10R1.3 COC1=NC=C(CBr)C=C1 AMY39204 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.3 COC1=NC=C(CCl)C=C1 AMY23099 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.3 COC1=NC=C(CO)C=C1 AMY8064 [0,1,0,0,0,1|1,0,0]=3 668 B10R1.3 COC1=NC=C(CO)N=C1 AMY42532 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.3 COC1=NN=C(CBr)C=C1 AM94158 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.3 COC1=NN=C(CCl)C=C1 AM100801 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.3 COC1=NN=C(CN)C=C1 AM101683 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.3 COC1=NN=C(CN)C=C1 AM10549 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.3 CSC1=NC=C(CO)C=N1 AMY071 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.3 N#CC1=CC=C(CO)C=C1 AM84059 [0,1,0,0,0,1|1,0,1]=4 675 B10R1.3 N#CC1=CN=C(CO)C=C1 AMY29151 [0,1,0,0,0,1|1,0,1]=4 676 B10R1.3 NCC1=CC=C(CO)C=C1 AMY20739 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.3 O=CC1=CC=C(CO)C=C1 AM803991 [0,1,0,0,0,1|1,0,1]=4 678 B10R1.3 OCC1=CC=C(CBr)C=C1 AM84228 [0,1,0,0,0,1|1,0,0]=3 679 B10R1.3 OCC1=CC=C(CCl)C=C1 AMY6614 [0,1,0,0,0,1|1,0,0]=3 680 B10R1.3 OCC1=CC=C(CO)C=C1 AMY19474 [0,1,0,0,0,1|1,0,0]=3 681 B10R1.13 CC1=CC=C(B(O)O)C=C1 AM20060344 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.13 CC1=CC=C(C(=O)O)C=C1 AM10618 [0,1,0,0,0,1|1,0,1]=4 683 B10R1.13 CC1=CC=C(C(C)C)C=C1 AMY25460 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 AMY22005 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.13 CC1=CN=C(B(O)O)C=C1 AM20051125 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.13 CC1=CN=C(C(=O)O)C=C1 AM20070237 [0,1,0,0,0,1|1,0,1]=4 687 B10R1.13 CC1=NC=C(B(O)O)C=C1 AM20061420 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.13 CC1=NC=C(B(O)O)C=C1 AM807135 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.13 CC1=NC=C(C(=O)O)C=C1 AM803692 [0,1,0,0,0,1|1,0,1]=4 690 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 AM9241 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 AMY10616 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 AMY10790 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AM20020074 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AM20041133 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AM87046 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AMY10617 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 AMY10791 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.25 CC1=C(CO)C=CC(Br)=C1 AMY42497 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.25 CC1=C(CO)C=CC(F)=N1 AMY7967 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.25 CC1=CC(Br)=CN=C1CO AMY39690 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.25 CC1=CC(C)=C(CCl)C=C1 AM84238 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.25 CC1=CC(C)=C(CN)C=C1 AM20041439 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.25 CC1=CC(N)=C(CCl)C=N1 AMY5667 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.25 CC1=NC(N)=C(CO)C=N1 AMY15845 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.25 CC1=NC=C(CO)C(O)=N1 AMY15867 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.25 NC1=C(CO)C=CC(Br)=C1 AMY4582 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.25 NC1=C(CO)C=CC(F)=C1 AMY30392 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.25 NC1=CC(Br)=CN=C1CO AMY33679 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.25 NC1=CC(Cl)=NC=C1CO AMY23452 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.25 NC1=CC(O)=C(CO)C=C1 AMY41948 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 AM808064 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.25 OCC1=C(Br)C=C(Cl)N=C1 AMY10060 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.25 OCC1=C(Br)C=C(F)C=C1 AM61413 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.25 OCC1=C(Br)C=C(F)C=N1 AMY17473 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 AM90069 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 AM81457 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 AMY17337 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 AM62586 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.25 OCC1=C(F)C=C(Br)C=C1 AM61395 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 AMY6486 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.25 OCC1=C(F)C=C(F)C=C1 AM62543 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.25 OCC1=C(F)C=C(O)C=C1 AMY28503 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.25 OCC1=C(O)C=C(Br)C=C1 AMY26856 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.25 OCC1=C(O)C=C(F)C=C1 AMY30334 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.25 OCC1=CC=C(Cl)N=C1Br AMY17053 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.25 OCC1=CC=C(Cl)N=C1Cl AM20061319 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.25 OCC1=CN=C(Cl)C=C1Cl AMY10059 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.25 OCC1=NC=C(Br)C=C1F AM20050711 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 AM85683 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.176 CC1=C(Br)C=C(CO)C=C1 AMY14398 [0,1,0,0,0,1|1,0,0]=3 731 B10R1.176 CC1=C(Br)C=C(CO)C=N1 AMY17100 [0,1,0,0,0,1|1,0,0]=3 732 B10R1.176 CC1=C(Br)C=CC(CO)=C1 AMY202100028 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.176 CC1=C(C)C=C(CBr)C=C1 AM83115 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.176 CC1=C(C)C=C(CCl)C=C1 AM20020094 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.176 CC1=C(C)C=C(CN)C=C1 AM20020095 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 AM82796 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.176 CC1=C(Cl)C=C(CO)C=N1 AMY7948 [0,1,0,0,0,1|1,0,0]=3 738 B10R1.176 CN1C=CC(CO)=CC1=O AMY12097 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.176 NC1=C(O)C=CC(CO)=C1 AMY41928 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 AMY17099 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.176 OCC1=CC(Br)=C(O)C=C1 AM20050589 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 AM20050136 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.176 OCC1=CC(Cl)=C(F)N=C1 AMY16981 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 AMY38344 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.176 OCC1=CC(F)=C(Br)C=C1 AM61414 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.176 OCC1=CC(F)=C(F)C=C1 AM61659 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.176 OCC1=CC(O)=C(Br)C=C1 AM62703 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.176 OCC1=CN=C(Br)C(F)=C1 AMY16982 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 AMY7936 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.176 OCC1=CN=C(Cl)C(F)=C1 AMY38273 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.176 OCC1=NC(Cl)=C(Br)C=C1 AMY39599 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.2 CC1=C(Br)C=CC=C1CO AMY25979 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.2 CC1=C(CO)C=CC=C1N AM20080535 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.2 CC1=C(O)C=CC=C1CO AMY169 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.2 CC1=CC=CC(CBr)=C1C AM84243 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.2 CC1=CC=CC(CCl)=C1C AM62184 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.2 CC1=CC=CC(CO)=C1Br AMY28124 [0,1,0,0,0,1|1,0,0]=3 758 B10R1.2 CC1=CC=CC(CO)=C1C AM83253 [0,1,0,0,0,1|1,0,0]=3 759 B10R1.2 CCC1=C(N)C(C)=CC=C1 AMY24006 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.2 CN1C=CC=C(CO)C1=O AM20051117 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.2 NC1=C(Cl)C=CC=C1CO AM85844 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.2 NC1=CC=CC(CO)=C1N AMY32223 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.2 OCC1=CC=CC(Br)=C1Cl AMY30387 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.2 OCC1=CC=CC(Br)=C1F AM808042 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.2 OCC1=CC=CC(Cl)=C1Br AMY28994 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.2 OCC1=CC=CC(F)=C1Br AMY17336 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.2 OCC1=CC=CC(F)=C1F AM61633 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.2 OCC1=CC=NC(Cl)=C1Br AMY19541 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.2 OCC1=CN=CC(Br)=C1Cl AMY17169 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.2 OCC1=CN=CC(F)=C1Cl AMY17160 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.2 OCC1=NC=CC(Cl)=C1Cl AM20061551 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.8 CC1=CC(Br)=CC(CBr)=C1 AM87954 [0,1,0,0,0,1|2,0,0]=4 773 B10R1.8 CC1=CC(Br)=CC(CO)=N1 AMY17677 [0,1,0,0,0,1|1,0,0]=3 774 B10R1.8 CC1=CC(C)=CC(CBr)=C1 AM20060585 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.8 CC1=CC(C)=CC(CCl)=C1 AM84240 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.8 CC1=CC(C)=NC(CCl)=N1 AMY135 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.8 CC1=CC(CCl)=NC(C)=C1 AMY26895 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.8 CC1=CC(CO)=CC(Br)=N1 AMY6631 [0,1,0,0,0,1|1,0,0]=3 779 B10R1.8 CC1=CC(CO)=CC(C)=N1 AM85637 [0,1,0,0,0,1|1,0,0]=3 780 B10R1.8 CC1=CC(CO)=CC(Cl)=N1 AMY17222 [0,1,0,0,0,1|1,0,0]=3 781 B10R1.8 CC1=NC(CO)=NC(N)=C1 AMY5599 [0,1,0,0,0,1|1,0,0]=3 782 B10R1.8 CCC1=NC(C)=CC(Cl)=C1 AMY17545 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.8 NC1=CC(Br)=NC(CO)=C1 AM20061277 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.8 NC1=CC(Cl)=NC(CO)=C1 AM20050742 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.8 NC1=NC(=O)C=C(CO)N1 AMY42444 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.8 NC1=NC(=O)NC(CO)=C1 AMY30696 [0,1,0,0,0,1|2,0,0]=4 787 B10R1.8 NC1=NC(CO)=CC(Br)=C1 AM20050785 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 AMY3499 [0,1,0,0,0,1|2,0,0]=4 789 B10R1.8 OCC1=CC(Br)=CC(Br)=N1 AM20050782 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.8 OCC1=CC(Br)=CC(Cl)=N1 AM20050743 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.8 OCC1=CC(Br)=CC(F)=C1 AM62541 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.8 OCC1=CC(Br)=NC(Br)=C1 AMY10241 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 AM20060147 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.8 OCC1=CC(Cl)=NC(Cl)=C1 AM20070268 [0,1,0,0,0,1|2,0,0]=4 795 B10R1.8 OCC1=CC(I)=CC(Br)=C1 AMY30378 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.8 OCC1=CC(I)=CC(Cl)=C1 AMY30381 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.8 OCC1=CC(O)=CC(O)=C1 AM893 [0,1,0,0,0,1|2,0,0]=4 798 B10R1.10 CCNC1=NC(C)=CC=N1 AM101091 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.10 CNCC1=NC(C)=CC=C1 AM807064 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.10 COCC1=CC(Br)=NC=C1 AM91600 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.10 COCC1=CC(Cl)=NC=C1 AMY5447 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.10 COCC1=CC(N)=CC=C1 AMY20229 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.10 COCC1=CC=CC(Br)=C1 AM86639 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.10 COCC1=CC=NC(Cl)=N1 AM91587 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.10 NC1=CC=CC(CCO)=C1 AM84231 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.10 NOCC1=CC=CC(Cl)=C1 AM90372 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.10 NOCC1=CC=CC(F)=C1 AM90377 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.10 OCCC1=CC=CC(Br)=C1 AM20060589 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.10 OCCC1=CC=CC(Br)=N1 AMY36494 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.10 OCCC1=CC=CC(Cl)=C1 AM20060377 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.10 OCCC1=CC=CC(F)=C1 AM82932 [0,1,0,0,0,1|2,0,0]=4 812 B10R1.10 OCCC1=CC=CC(O)=C1 AMY41470 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.30 CC1=C(CO)C=C(Br)C=C1 AMY39689 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.30 CC1=CC(CBr)=C(Br)C=C1 AMY28743 [0,1,0,0,0,1|2,0,0]=4 815 B10R1.30 CC1=CC(CN)=C(C)C=C1 AM82992 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.30 CC1=CC(CO)=C(F)C=C1 AM20040958 [0,1,0,0,0,1|1,0,0]=3 817 B10R1.30 CCC1=C(O)C=CC(C)=N1 AM20061880 [0,1,0,0,0,1|2,0,0]=4 818 B10R1.30 NC1=C(CO)C=C(Br)C=C1 AM20061028 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.30 NC1=C(CO)C=C(F)C=C1 AMY41832 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.30 NC1=C(CO)N=C(Br)C=N1 AMY15890 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.30 NC1=CC(CO)=C(Br)C=C1 AMY30389 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.30 NC1=CC(CO)=C(F)C=C1 AM20041238 [0,1,0,0,0,1|2,0,0]=4 823 B10R1.30 NC1=CN=C(Cl)C(CO)=C1 AMY38216 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.30 NC1=NC=C(Br)C=C1CO AM20070220 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.30 OCC1=C(Br)C=CC(Br)=C1 AM83270 [0,1,0,0,0,1|2,0,0]=4 826 B10R1.30 OCC1=C(Br)C=CC(F)=C1 AM20050134 [0,1,0,0,0,1|2,0,0]=4 827 B10R1.30 OCC1=C(Br)C=CC(I)=C1 AMY25402 [0,1,0,0,0,1|2,0,0]=4 828 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 AMY6510 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.30 OCC1=C(Cl)C=CC(Cl)=C1 AMY28993 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 AM62546 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 AMY41943 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.30 OCC1=C(F)C=CC(Br)=C1 AM62545 [0,1,0,0,0,1|2,0,0]=4 833 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 AMY7964 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.30 OCC1=C(I)C=CC(Br)=C1 AMY30372 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.30 OCC1=C(O)C=CC(Br)=C1 AM20061034 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.30 OCC1=CC(Br)=NC=C1Br AMY25978 [0,1,0,0,0,1|2,0,0]=4 837 B10R1.30 OCC1=CC(Cl)=CN=C1Br AMY17052 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.30 OCC1=CC(Cl)=CN=C1F AMY7940 [0,1,0,0,0,1|2,0,0]=4 839 B10R1.30 OCC1=CC(Cl)=NC=C1F AMY7898 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.30 OCC1=CC(F)=CN=C1Cl AMY7896 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.113 CC1=CC(B(O)O)=CN=C1 AM20050881 [0,1,0,0,0,1|2,0,0]=4 842 B10R1.113 CC1=CC(C(=O)O)=CN=C1 AM20070133 [0,1,0,0,0,1|1,0,1]=4 843 B10R1.113 CC1=CC(C(=O)O)=NC=C1 AM20070140 [0,1,0,0,0,1|1,0,1]=4 844 B10R1.113 CC1=CC=CC(B(O)O)=C1 AM20060160 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AM20070251 [0,1,0,0,0,1|1,0,1]=4 846 B10R1.113 CC1=CC=NC(C(=O)O)=N1 AMY34986 [0,1,0,0,0,1|1,0,1]=4 847 B10R1.113 CC1=CN=CC(C(=O)O)=N1 AM85815 [0,1,0,0,0,1|1,0,1]=4 848 B10R1.113 CC1=NC=CC(B(O)O)=C1 AM20061340 [0,1,0,0,0,1|2,0,0]=4 849 B10R1.113 CC1=NC=CC(C(=O)O)=C1 AM20070141 [0,1,0,0,0,1|1,0,1]=4 850 B10R1.113 CC1=NC=CC(C(=O)O)=N1 AM20080269 [0,1,0,0,0,1|1,0,1]=4 851 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 AMY10620 [0,1,0,0,0,1|2,0,0]=4 852 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AMY10615 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.113 C[C@H](O)C1=CC(N)=NC=C1 AMY5829 [0,1,0,0,0,1|2,0,0]=4 854 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AM87036 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AMY10621 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 AMY10614 [0,1,0,0,0,1|2,0,0]=4 857 B10R1.172 BrCC1=CC=CC(CBr)=C1 AM85853 [0,1,0,0,0,1|2,0,0]=4 858 B10R1.172 BrCC1=CC=CC(CBr)=N1 AM804344 [0,1,0,0,0,1|2,0,0]=4 859 B10R1.172 COC1=CC(CBr)=NC=C1 AMY6630 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.172 COC1=CC(CCl)=CN=C1 AMY17019 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.172 COC1=CC(CCl)=NC=C1 AMY10914 [0,1,0,0,0,1|2,0,0]=4 862 B10R1.172 COC1=CC(CCl)=NC=C1 AMY6329 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.172 COC1=CC(CN)=CC=C1 AM20050130 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.172 COC1=CC(CN)=NC=C1 AMY19130 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.172 COC1=CC(CO)=CC=C1 AM87152 [0,1,0,0,0,1|1,0,0]=3 866 B10R1.172 COC1=CC(CO)=NC=C1 AMY10096 [0,1,0,0,0,1|1,0,0]=3 867 B10R1.172 COC1=CC=CC(CBr)=C1 AM20041283 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.172 COC1=CC=CC(CBr)=N1 AMY30299 [0,1,0,0,0,1|2,0,0]=4 869 B10R1.172 COC1=CN=CC(CO)=C1 AMY17020 [0,1,0,0,0,1|1,0,0]=3 870 B10R1.172 COC1=NC(CN)=CC=C1 AMY16197 [0,1,0,0,0,1|2,0,0]=4 871 B10R1.172 COC1=NC=CC(CN)=C1 AM803240 [0,1,0,0,0,1|2,0,0]=4 872 B10R1.172 COC1=NC=CC(CO)=C1 AM20050719 [0,1,0,0,0,1|1,0,0]=3 873 B10R1.172 N#CC1=CC(CO)=CN=C1 AMY41945 [0,1,0,0,0,1|1,0,1]=4 874 B10R1.172 N#CC1=CC(CO)=NC=C1 AMY17754 [0,1,0,0,0,1|1,0,1]=4 875 B10R1.172 N#CC1=CC=CC(CO)=C1 AM84057 [0,1,0,0,0,1|1,0,1]=4 876 B10R1.172 N#CC1=CC=CC(CO)=N1 AMY14078 [0,1,0,0,0,1|1,0,1]=4 877 B10R1.172 N#CC1=NC=CC(CO)=C1 AMY27412 [0,1,0,0,0,1|1,0,1]=4 878 B10R1.172 NCC1=CC(CO)=NC=C1 AMY17765 [0,1,0,0,0,1|1,0,0]=3 879 B10R1.172 NCC1=CC=CC(CCl)=N1 AMY16949 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.172 NCC1=CC=CC(CN)=N1 AM85739 [0,1,0,0,0,1|2,0,0]=4 881 B10R1.172 NCC1=CC=CC(CO)=C1 AMY20742 [0,1,0,0,0,1|1,0,0]=3 882 B10R1.172 O=CC1=CC(CO)=CC=C1 AMY41935 [0,1,0,0,0,1|1,0,1]=4 883 B10R1.172 OCC1=CC=CC(CBr)=C1 AM84227 [0,1,0,0,0,1|1,0,0]=3 884 B10R1.172 OCC1=CC=CC(CO)=C1 AMY30312 [0,1,0,0,0,1|1,0,0]=3 885 B10R1.172 OCC1=CC=CC(CO)=N1 AM20050706 [0,1,0,0,0,1|1,0,0]=3 886 B10R1.14 CC1=CC=C([C@@H](N)CO)S1 AM8965 [0,2,0,0,0,0|0,1,0]=3 887 B10R1.14 CCC(=O)C1=CC=C(C)O1 AM84326 [0,2,0,0,0,0|1,0,0]=3 888 B10R1.14 COC(=O)C1=CC=C(Br)O1 AMY30531 [0,2,0,0,0,0|1,0,1]=4 889 B10R1.14 COC(=O)C1=CC=C(Cl)O1 AMY3060 [0,2,0,0,0,0|1,0,1]=4 890 B10R1.14 COC(=O)C1=CC=C(N)O1 AM10007 [0,2,0,0,0,0|1,0,1]=4 891 B10R1.54 CC1=NC=C(CC(=O)O)S1 AMY37384 [0,2,0,0,0,0|1,1,0]=4 892 B10R1.54 CC1=NN(CC(=O)O)C=C1 AMY202003218 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.54 CN1C=CC(CC(=O)O)=N1 AM806204 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.96 COCC1=CC=C(C=O)O1 AM20090120 [0,2,0,0,0,0|0,0,1]=3 895 B10R1.31 CC(C)C1=NC=C(CO)S1 AM100338 [0,2,0,0,0,0|1,1,0]=4 896 B10R1.31 CCC1=CC=C(B(O)O)S1 AM20080818 [0,2,0,0,0,0|1,1,0]=4 897 B10R1.31 CCC1=CC=C(C(=O)O)O1 AMY32129 [0,2,0,0,0,0|0,0,1]=3 898 B10R1.31 COC1=CC=C(B(O)O)S1 AM85270 [0,2,0,0,0,0|1,1,0]=4 899 B10R1.31 O=C(O)C1=CC=C(CO)O1 AM20100567 [0,2,0,0,0,0|0,0,1]=3 900 B10R1.31 O=CC1=CC=C(B(O)O)O1 AM20090813 [0,2,0,0,0,0|1,0,1]=4 901 B10R1.31 O=[N+]([O-])C1=CC=C(CO)O1 AMY10259 [0,2,0,0,0,0|1,0,0]=3 902 B10R1.31 O=[N+]([O-])C1=CC=C(CO)S1 AMY14962 [0,2,0,0,0,0|1,1,0]=4 903 B10R1.31 OCC1=CC=C(B(O)O)S1 AMY7933 [0,2,0,0,0,0|1,1,0]=4 904 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 AM20090291 [0,2,0,0,0,0|1,0,1]=4 905 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 AM803864 [0,2,0,0,0,0|0,1,1]=4 906 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 AMY202100057 [0,2,0,0,0,0|1,0,1]=4 907 B10R1.55 CC1=CC=C(C(F)(F)F)O1 AM807110 [0,2,0,0,0,0|1,0,0]=3 908 B10R1.55 CC1=CC=C([B-](F)(F)F)O1 AMY995 [0,2,0,0,0,0|2,0,0]=4 909 B8R1.2 OCC1=CN=CC=C1 AM802808 [0,0,1,1,0,0|2,0,0]=4 910 B8R1.2 OCC1=NC=CC=C1 AM804089 [0,0,1,1,0,0|1,0,1]=4 911 B8R1.2 OCC1=NN=CC=C1 AM20090601 [0,0,1,1,0,0|2,0,0]=4 912 B8R1.3 CC1=CN=C(O)C=C1 AM20050596 [0,0,1,1,0,0|2,0,0]=4 913 B8R1.3 CC1=NC=C(O)C=C1 AM20061678 [0,0,1,1,0,0|1,0,1]=4 914 B8R1.5 OC1=CC=CN=C1O AMY21893 [0,0,1,1,0,0|1,0,1]=4 915 B10R2.178 O=C1C=CC2COC1O2 AMY202100001 [0,0,0,1,0,1|1,0,1]=4