0 B8R1.8 BrCCC1=CSC=C1 AMY15756 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 BrCCN1C=CC=N1 AM803023 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCCC1=NC=CN1 AM20100251 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCCC1=NN=CO1 AM20080227 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.8 CCCC1=NNC=C1 AMY6454 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CCCN1C=CN=C1 AMY8648 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CCOC1=NNC=C1 AMY5033 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CNCC1=CC=CS1 AM20100421 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.8 CNCC1=CN=CS1 AM10485 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 CNCC1=CN=CS1 AM803037 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 CNCC1=CSC=C1 AMY37336 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CNCC1=NC=CN1 AM803938 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 ClCCC1=CNN=C1 AMY9136 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 ClCCN1C=CC=N1 AMY31376 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.8 N#CCC1=CC=CO1 AMY31197 [0,0,0,0,0,0|0,1,2]=3 15 B8R1.8 N#CCC1=CC=CS1 AMY23238 [0,0,0,0,0,0|0,0,2]=2 16 B8R1.8 N#CCC1=CN=CN1 AMY18302 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.8 N#CCC1=CSC=C1 AMY21841 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.8 NCCC1=CC=CN1 AMY32066 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.8 NCCC1=CC=CO1 AM20080071 [0,0,0,0,0,0|0,1,0]=1 20 B8R1.8 NCCC1=CC=CS1 AM803664 [0,0,0,0,0,0|0,0,0]=0 21 B8R1.8 NCCC1=CN=CN1 AMY33457 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.8 NCCC1=CNC=N1 AM20100377 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.8 NCCC1=CNN=C1 AMY5168 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 NCCC1=CSC=C1 AMY34288 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.8 NCCN1C=CC=N1 AMY202100003 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 NCCN1C=CN=C1 AM20100404 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.8 NCCN1C=NC=N1 AMY15079 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 OCCC1=CC=CS1 AM82007 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.8 OCCC1=CNC=N1 AMY18268 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 OCCC1=CNN=C1 AM20090062 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.8 OCCC1=CSC=C1 AM61323 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.8 OCCC1=NNC=C1 AMY23474 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 OCCN1C=CC=N1 AMY20089 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 OCCN1C=CN=C1 AM20080441 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.8 OCCN1C=CN=N1 AMY31719 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.8 O\N=C\C1=CC=CN1 AM806542 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.1 BrCC1=CC=CS1 AMY22870 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.1 BrCC1=CC=NO1 AM804245 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.1 BrCC1=CN=CS1 AM20090008 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.1 BrCC1=CSC=C1 AM100695 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 BrCC1=NC=CO1 AM85471 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.1 BrCC1=NOC=C1 AM804339 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 C#CC1=CC=CS1 AMY15557 [1,0,0,0,0,0|0,0,2]=3 44 B7R1.1 C=CC1=CC=CS1 AM84662 [1,0,0,0,0,0|0,0,2]=3 45 B7R1.1 CCC1=CC=CS1 AM20110253 [1,0,0,0,0,0|0,0,0]=1 46 B7R1.1 CCC1=CNN=C1 AM803320 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 CCC1=NC=CN1 AM81998 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 CCC1=NN=CO1 AM20080226 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.1 CCN1C=CC=N1 AM20090357 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 CNC1=NC=CO1 AM804633 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.1 CNC1=NC=CS1 AMY28978 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 CNC1=NNC=C1 AM806557 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 CNC1=NOC=C1 AM806468 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 CNC1=NOC=C1 AM806552 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 COC1=CC=CS1 AMY23227 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.1 COC1=CSC=C1 AMY23252 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 COC1=NNC=C1 AMY5035 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 CSC1=CNC=N1 AMY36581 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 ClCC1=CC=CO1 AMY26896 [1,0,0,0,0,0|1,1,0]=3 60 B7R1.1 ClCC1=CC=CS1 AM20100753 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 ClCC1=CN=CN1 AM90206 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 ClCC1=CN=CO1 AMY41018 [1,0,0,0,0,0|2,1,0]=4 63 B7R1.1 ClCC1=CN=CS1 AM100831 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.1 ClCC1=CN=CS1 AM91849 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 ClCC1=CSC=C1 AM100610 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 ClCC1=CSC=N1 AMY13412 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 ClCC1=NC=CO1 AM20090081 [1,0,0,0,0,0|2,1,0]=4 68 B7R1.1 ClCC1=NNC=C1 AMY9070 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 N#CC1=CC=CN1 AM90100 [1,0,0,0,0,0|1,0,2]=4 70 B7R1.1 N#CC1=CC=CO1 AMY202100107 [1,0,0,0,0,0|0,1,2]=4 71 B7R1.1 N#CC1=CC=CS1 AM20070640 [1,0,0,0,0,0|0,0,2]=3 72 B7R1.1 N#CC1=NC=CS1 AM85588 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.1 NCC1=CC=CN1 AMY19157 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.1 NCC1=CC=CS1 AM803624 [1,0,0,0,0,0|0,0,0]=1 75 B7R1.1 NCC1=CC=NO1 AM20120499 [1,0,0,0,0,0|1,1,0]=3 76 B7R1.1 NCC1=CN=CO1 AM20110214 [1,0,0,0,0,0|1,1,0]=3 77 B7R1.1 NCC1=CN=CS1 AM20080445 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.1 NCC1=CN=CS1 AM91850 [1,0,0,0,0,0|1,0,0]=2 79 B7R1.1 NCC1=CN=CS1 AMY34314 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.1 NCC1=CNC=N1 AMY23030 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 NCC1=CNC=N1 AMY7828 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 NCC1=CNN=C1 AM20100001 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 NCC1=CNN=C1 AMY34613 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 NCC1=CNN=N1 AMY37244 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 NCC1=CSC=N1 AM806141 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 NCC1=NC=CN1 AM20090227 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 NCC1=NC=CS1 AM20100366 [1,0,0,0,0,0|1,0,0]=2 88 B7R1.1 NCC1=NC=CS1 AMY16275 [1,0,0,0,0,0|1,0,0]=2 89 B7R1.1 NCC1=NC=NN1 AMY23490 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 NCC1=NNC=C1 AM20090607 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 NCC1=NNC=C1 AMY36478 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 NCC1=NOC=C1 AM20080222 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 NNC1=NC=CS1 AMY4938 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.1 O=CC1=CC=CN1 AM20070639 [1,0,0,0,0,0|2,0,1]=4 95 B7R1.1 O=CC1=CC=CO1 AM81812 [1,0,0,0,0,0|1,1,1]=4 96 B7R1.1 O=CC1=CC=CS1 AM20120394 [1,0,0,0,0,0|1,0,1]=3 97 B7R1.1 O=CC1=CC=NS1 AMY42117 [1,0,0,0,0,0|2,0,1]=4 98 B7R1.1 O=CC1=CN=CS1 AM20070641 [1,0,0,0,0,0|2,0,1]=4 99 B7R1.1 O=CC1=NC=CS1 AM20070674 [1,0,0,0,0,0|2,0,1]=4 100 B7R1.1 OCC1=CC=CN1 AMY19087 [1,0,0,0,0,0|2,0,0]=3 101 B7R1.1 OCC1=CC=CO1 AM81811 [1,0,0,0,0,0|1,1,0]=3 102 B7R1.1 OCC1=CC=CS1 AM804174 [1,0,0,0,0,0|1,0,0]=2 103 B7R1.1 OCC1=CC=NO1 AM20120507 [1,0,0,0,0,0|2,1,0]=4 104 B7R1.1 OCC1=CN=CN1 AM804377 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 OCC1=CN=CO1 AM86088 [1,0,0,0,0,0|2,1,0]=4 106 B7R1.1 OCC1=CN=CS1 AM20100025 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.1 OCC1=CNC=N1 AM20090479 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.1 OCC1=COC=C1 AM85772 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.1 OCC1=COC=N1 AM20080403 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.1 OCC1=CSC=C1 AMY17815 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 OCC1=CSC=N1 AM20100663 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.1 OCC1=NC=CN1 AM807005 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 OCC1=NC=CO1 AM20080218 [1,0,0,0,0,0|2,1,0]=4 114 B7R1.1 OCC1=NC=CS1 AM803222 [1,0,0,0,0,0|2,0,0]=3 115 B7R1.1 OCC1=NNC=C1 AM20090254 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.1 OCC1=NNC=C1 AMY29121 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.1 OCC1=NOC=C1 AMY37652 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.7 CC1=CC=C(CCO)O1 AMY16284 [0,1,0,0,0,0|1,1,0]=3 119 B9R1.7 CC1=CN(CCN)N=N1 AMY21324 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.7 CC1=NC=C(CCO)S1 AMY16331 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.7 CC1=NNC(CCN)=C1 AMY15048 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.7 CCCC1=CC(N)=NO1 AM100949 [0,1,0,0,0,0|2,1,0]=4 123 B9R1.7 CCCC1=CSC(N)=N1 AMY24853 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.7 CCCC1=NN=C(N)S1 AMY3968 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.7 CCCC1=NOC(N)=C1 AM806491 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.7 CCCN1C=C(Br)C=N1 AM90051 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.7 CCCN1C=C(O)C=N1 AM90125 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.7 CCCN1C=CC(N)=N1 AMY33141 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.7 CN1C=C(CCN)C=N1 AMY9189 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.7 CNCC1=CN=C(Cl)S1 AM803038 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.7 CNCC1=NC(C)=CS1 AMY37767 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.7 COCC1=CN=C(Cl)S1 AM100680 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.7 N#CCC1=CC(Br)=CS1 AMY3089 [0,1,0,0,0,0|0,0,2]=3 134 B9R1.7 NC1=CN(CCO)N=C1 AMY4662 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.7 OCCC1=CSC(Br)=N1 AM85686 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.7 OCCN1C=C(Br)C=N1 AMY32923 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.7 ON=CC1=CC=C(Br)S1 AM84760 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.7 O\N=C\C1=CC(Br)=CS1 AMY27433 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.11 CCC(=O)C1=CC=CN1 AM802893 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.11 CCC(=O)C1=CC=CS1 AMY39126 [0,1,0,0,0,0|1,0,1]=3 141 B9R1.11 CN[C@@H](C)C1=NC=CS1 AM101635 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.11 COC(=O)C1=CC=CS1 AMY10146 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.11 C[C@@H](CN)C1=NC=CO1 AM807177 [0,1,0,0,0,0|1,1,0]=3 144 B9R1.11 NCC(=O)C1=CC=CN1 AM101383 [0,1,0,0,0,0|1,0,1]=3 145 B9R1.11 NCC(=O)C1=CC=CO1 AM101773 [0,1,0,0,0,0|0,1,1]=3 146 B9R1.11 NCC(=O)C1=CC=CO1 AMY15091 [0,1,0,0,0,0|0,1,1]=3 147 B9R1.11 NCC(=O)C1=CC=CS1 AM100654 [0,1,0,0,0,0|0,0,1]=2 148 B9R1.11 NCC(=O)C1=CC=CS1 AM101175 [0,1,0,0,0,0|0,0,1]=2 149 B9R1.11 NCC(=O)C1=NC=CS1 AM100290 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.11 NC[C@H](O)C1=CC=CO1 AM803620 [0,1,0,0,0,0|0,1,0]=2 151 B9R1.11 NNC(=O)C1=CC=CO1 AM10044 [0,1,0,0,0,0|1,1,1]=4 152 B9R1.11 NNC(=O)C1=CC=CS1 AM9858 [0,1,0,0,0,0|1,0,1]=3 153 B9R1.11 O=C(CBr)C1=CC=CN1 AM101209 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.11 O=C(CBr)C1=CC=CO1 AM100277 [0,1,0,0,0,0|1,1,1]=4 155 B9R1.11 O=C(CBr)C1=CC=CS1 AM90541 [0,1,0,0,0,0|1,0,1]=3 156 B9R1.11 O=C(CBr)C1=NC=CS1 AM100666 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.11 OC[C@@H](O)C1=CC=CO1 AMY16113 [0,1,0,0,0,0|1,1,0]=3 158 B9R1.12 CCCCC1=CCC=C1 AMY2875 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.12 CCCCC1=NC=CN1 AM20100246 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.12 CNCCC1=CC=CS1 AMY21331 [0,1,0,0,0,0|0,0,0]=1 161 B9R1.12 NCCCN1C=CN=C1 AMY17973 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.12 NCCSC1=CC=CS1 AM100980 [0,1,0,0,0,0|0,0,0]=1 163 B9R1.12 OCCSC1=CC=CS1 AM100947 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.13 CC(=O)NC1=CC=CS1 AM20080217 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.13 CC(C)CN1C=CC=N1 AMY33024 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.13 NC(=O)CC1=CC=CN1 AM806500 [0,1,0,0,0,0|1,0,1]=3 167 B9R1.13 O=C(Cl)CC1=CC=CS1 AM20100031 [0,1,0,0,0,0|1,0,1]=3 168 B9R1.13 O=C(O)CC1=CC=CO1 AMY31140 [0,1,0,0,0,0|1,1,1]=4 169 B9R1.13 O=C(O)CC1=CC=CS1 AM20090121 [0,1,0,0,0,0|1,0,1]=3 170 B9R1.33 CC1=C(CCN)SC=N1 AM807273 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.33 CC1=C(CCO)SC=N1 AM20080272 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.33 CCCN1N=CC=C1N AMY33142 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.33 CN1C=CN=C1CNN AM806025 [0,1,0,0,0,0|3,0,0]=4 174 B9R2.2 C1=CC(C2CC2)=NN1 AM808021 [0,0,0,1,0,0|3,0,0]=4 175 B9R2.2 C1=CC(C2CC2)=NO1 AM86666 [0,0,0,1,0,0|3,0,0]=4 176 B9R2.2 C1=CNC(C2CC2)=N1 AM804514 [0,0,0,1,0,0|3,0,0]=4 177 B9R2.2 C1=NC(C2CC2)=CS1 AMY9014 [0,0,0,1,0,0|3,0,0]=4 178 B9R2.2 C1=NC=C(C2CC2)N1 AMY37451 [0,0,0,1,0,0|3,0,0]=4 179 B9R2.2 C1=NOC(C2CC2)=C1 AM86959 [0,0,0,1,0,0|2,1,0]=4 180 B9R2.3 C1=CC2=C(C=CS2)S1 AM20090288 [0,0,0,1,0,0|1,0,2]=4 181 B9R2.3 C1=CN2CCCC2=N1 AMY42071 [0,0,0,1,0,0|3,0,0]=4 182 B9R2.3 C1=NN2CCCC2=C1 AMY9702 [0,0,0,1,0,0|3,0,0]=4 183 B9R2.3 C1=NNC2=C1CCC2 AMY34609 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.8 BrCCC1=CC=CC=C1 AMY10404 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.8 BrCCC1=NC=CC=C1 AM20061469 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.8 BrCCC1=NC=CC=C1 AM807304 [0,0,0,0,0,1|2,0,0]=3 187 B9R1.8 CCCC1=CC=NC=C1 AMY5939 [0,0,0,0,0,1|2,0,0]=3 188 B9R1.8 CCNC1=CC=CN=C1 AMY19453 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.8 CCNC1=NC=CC=N1 AM101104 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.8 CCNC1=NC=CN=C1 AM101086 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.8 CCOC1=NC=CC=C1 AM20061677 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.8 CCOC1=NC=CN=C1 AM20070349 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.8 CNCC1=CC=CN=C1 AM101655 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.8 CNCC1=CC=CN=C1 AM20050925 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.8 CNCC1=CC=NC=C1 AM804244 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.8 CNCC1=CC=NC=C1 AM806343 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.8 CNCC1=NC=CC=C1 AM100341 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.8 CNCC1=NC=CC=C1 AM803502 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.8 CNCC1=NC=CC=N1 AM802909 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.8 CNCC1=NC=CN=C1 AM20070306 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.8 CNCC1=NC=NC=C1 AMY16236 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.8 ClCCC1=NC=CC=C1 AMY33287 [0,0,0,0,0,1|2,0,0]=3 203 B9R1.8 N#CCC1=CC=NC=C1 AMY22534 [0,0,0,0,0,1|1,0,2]=4 204 B9R1.8 N#CCC1=CC=NC=C1 AMY22574 [0,0,0,0,0,1|1,0,2]=4 205 B9R1.8 N#CCC1=CN=CC=C1 AM20061403 [0,0,0,0,0,1|1,0,2]=4 206 B9R1.8 N#CCC1=NC=CC=C1 AM20070265 [0,0,0,0,0,1|1,0,2]=4 207 B9R1.8 NCCC1=CC=CC=C1 AMY39444 [0,0,0,0,0,1|1,0,0]=2 208 B9R1.8 NCCC1=CC=CN=C1 AM836 [0,0,0,0,0,1|1,0,0]=2 209 B9R1.8 NCCC1=CC=NC=C1 AMY32187 [0,0,0,0,0,1|1,0,0]=2 210 B9R1.8 NCCC1=CCCCC1 AMY14247 [0,0,0,0,0,1|1,0,2]=4 211 B9R1.8 NCCC1=NC=CC=C1 AM20070004 [0,0,0,0,0,1|1,0,0]=2 212 B9R1.8 NCCC1=NC=CN=C1 AMY4378 [0,0,0,0,0,1|1,0,0]=2 213 B9R1.8 NNCC1=CC=CC=C1 AM20060322 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.8 NNCC1=CC=CC=C1 AM9982 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.8 NNCC1=CC=CC=C1 AM9983 [0,0,0,0,0,1|2,0,0]=3 216 B9R1.8 NNCC1=CC=CN=C1 AM20061450 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.8 NNCC1=CC=CN=C1 AMY32836 [0,0,0,0,0,1|2,0,0]=3 218 B9R1.8 NNCC1=CC=NC=C1 AM9893 [0,0,0,0,0,1|2,0,0]=3 219 B9R1.8 NNCC1=CC=NC=C1 AMY33776 [0,0,0,0,0,1|2,0,0]=3 220 B9R1.8 NNCC1=CN=CN=C1 AM20080176 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.8 NOCC1=CC=CC=C1 AM20060583 [0,0,0,0,0,1|2,0,0]=3 222 B9R1.8 NOCC1=CC=CC=C1 AMY24029 [0,0,0,0,0,1|2,0,0]=3 223 B9R1.8 O=CCC1=NC=CC=C1 AMY30401 [0,0,0,0,0,1|2,0,1]=4 224 B9R1.8 OCCC1=CC=NC=C1 AM81310 [0,0,0,0,0,1|2,0,0]=3 225 B9R1.8 OCCC1=CN=CC=C1 AM81317 [0,0,0,0,0,1|2,0,0]=3 226 B9R1.8 OCCC1=CN=CN=C1 AMY16097 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.8 OCCC1=NC=CC=C1 AM81304 [0,0,0,0,0,1|2,0,0]=3 228 B9R1.8 OCCC1=NC=CN=C1 AMY25049 [0,0,0,0,0,1|2,0,0]=3 229 B9R1.8 OCCC1=NN=CC=C1 AMY31019 [0,0,0,0,0,1|2,0,0]=3 230 B9R1.8 ONCC1=CC=CC=C1 AM20120645 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.8 SCCC1=NC=CN=C1 AMY23174 [0,0,0,0,0,1|2,0,0]=3 232 B6R0.6 C=COCCCN AMY3063 [1,0,1,0,0,0|0,1,1]=4 233 B6R1.2 BrC1=CC=CO1 AMY11096 [2,0,0,0,0,0|1,1,0]=4 234 B6R1.2 BrC1=CC=CS1 AMY21853 [2,0,0,0,0,0|1,0,0]=3 235 B6R1.2 BrC1=CN=CS1 AM20090420 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.2 BrC1=NC=CS1 AM803661 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.2 CC1=CC=CN1 AMY18997 [2,0,0,0,0,0|1,0,0]=3 238 B6R1.2 CC1=CC=CO1 AMY11051 [2,0,0,0,0,0|0,1,0]=3 239 B6R1.2 CC1=CC=CS1 AMY23234 [2,0,0,0,0,0|0,0,0]=2 240 B6R1.2 CC1=CC=NN1 AM20120265 [2,0,0,0,0,0|2,0,0]=4 241 B6R1.2 CC1=CC=NO1 AM20100414 [2,0,0,0,0,0|1,1,0]=4 242 B6R1.2 CC1=CN=C[Tb]1 AMY33347 [2,0,0,0,0,0|2,0,0]=4 243 B6R1.2 CC1=CNC=C1 AMY14173 [2,0,0,0,0,0|2,0,0]=4 244 B6R1.2 CC1=CNC=N1 AMY23279 [2,0,0,0,0,0|2,0,0]=4 245 B6R1.2 CC1=COC=N1 AMY32123 [2,0,0,0,0,0|2,0,0]=4 246 B6R1.2 CC1=CSC=C1 AMY40151 [2,0,0,0,0,0|2,0,0]=4 247 B6R1.2 CC1=CSC=N1 AM20100646 [2,0,0,0,0,0|2,0,0]=4 248 B6R1.2 CC1=NC=CN1 AM20100647 [2,0,0,0,0,0|2,0,0]=4 249 B6R1.2 CC1=NC=CO1 AMY24088 [2,0,0,0,0,0|1,1,0]=4 250 B6R1.2 CC1=NC=CS1 AM20090566 [2,0,0,0,0,0|1,0,0]=3 251 B6R1.2 CC1=NNC=C1 AM62623 [2,0,0,0,0,0|2,0,0]=4 252 B6R1.2 CN1C=CC=C1 AM10659 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 CN1C=CC=N1 AM20120336 [2,0,0,0,0,0|2,0,0]=4 254 B6R1.2 ClC1=CC=CS1 AM82003 [2,0,0,0,0,0|1,0,0]=3 255 B6R1.2 ClC1=NC=CS1 AM803660 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 FC1=CC=CS1 AM85431 [2,0,0,0,0,0|1,0,0]=3 257 B6R1.2 IC1=CC=CS1 AM86883 [2,0,0,0,0,0|1,0,0]=3 258 B6R1.2 IC1=NC=CS1 AMY27328 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.2 NC1=CC=NN1 AMY23077 [2,0,0,0,0,0|2,0,0]=4 260 B6R1.2 NC1=CC=NO1 AM20080357 [2,0,0,0,0,0|1,1,0]=4 261 B6R1.2 NC1=CC=NS1 AMY18758 [2,0,0,0,0,0|1,0,0]=3 262 B6R1.2 NC1=CN=CS1 AM82008 [2,0,0,0,0,0|1,0,0]=3 263 B6R1.2 NC1=CN=NS1 AM20100091 [2,0,0,0,0,0|2,0,0]=4 264 B6R1.2 NC1=CNC=N1 AMY40030 [2,0,0,0,0,0|2,0,0]=4 265 B6R1.2 NC1=CSC=C1 AMY15168 [2,0,0,0,0,0|2,0,0]=4 266 B6R1.2 NC1=CSC=C1 AMY15435 [2,0,0,0,0,0|2,0,0]=4 267 B6R1.2 NC1=CSC=C1 AMY5250 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.2 NC1=CSC=N1 AMY15985 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.2 NC1=NC=CN1 AM20080341 [2,0,0,0,0,0|2,0,0]=4 270 B6R1.2 NC1=NC=CN1 AM82001 [2,0,0,0,0,0|2,0,0]=4 271 B6R1.2 NC1=NC=CO1 AM20100168 [2,0,0,0,0,0|1,1,0]=4 272 B6R1.2 NC1=NC=CS1 AM20120385 [2,0,0,0,0,0|1,0,0]=3 273 B6R1.2 NC1=NC=NS1 AM20080389 [2,0,0,0,0,0|2,0,0]=4 274 B6R1.2 NC1=NC=NS1 AM20100736 [2,0,0,0,0,0|2,0,0]=4 275 B6R1.2 NC1=NN=CS1 AMY3973 [2,0,0,0,0,0|2,0,0]=4 276 B6R1.2 NC1=NNC=C1 AM20090067 [2,0,0,0,0,0|2,0,0]=4 277 B6R1.2 NC1=NOC=C1 AM20090043 [2,0,0,0,0,0|2,0,0]=4 278 B6R1.2 NN1C=CC=C1 AM20100752 [2,0,0,0,0,0|2,0,0]=4 279 B6R1.2 SC1=CC=CS1 AMY33408 [2,0,0,0,0,0|1,0,0]=3 280 B6R1.2 SC1=NC=CS1 AM10703 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.1 BrCC1=CN=C(Br)S1 AMY4696 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.1 BrCC1=NC(Br)=CS1 AM805459 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.1 CC1=CC(CN)=NO1 AM20080394 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.1 CC1=CC=C(C#N)S1 AMY4814 [1,1,0,0,0,0|0,0,2]=4 285 B8R1.1 CC1=CC=C(C=O)S1 AM803182 [1,1,0,0,0,0|1,0,1]=4 286 B8R1.1 CC1=CC=C(CN)S1 AM802866 [1,1,0,0,0,0|0,0,0]=2 287 B8R1.1 CC1=CC=C(CN)S1 AMY4599 [1,1,0,0,0,0|0,0,0]=2 288 B8R1.1 CC1=CC=C(CO)O1 AMY41923 [1,1,0,0,0,0|1,1,0]=4 289 B8R1.1 CC1=CC=C(CO)S1 AM804180 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.1 CC1=CN=C(CN)O1 AMY35786 [1,1,0,0,0,0|1,1,0]=4 291 B8R1.1 CC1=CN=C(CN)O1 AMY35797 [1,1,0,0,0,0|1,1,0]=4 292 B8R1.1 CC1=CN=C(CO)S1 AMY17419 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.1 CC1=CNC(CN)=N1 AM803982 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.1 CC1=COC(CN)=N1 AM806396 [1,1,0,0,0,0|1,1,0]=4 295 B8R1.1 CC1=CSC(C=O)=C1 AM804119 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.1 CC1=CSC(CN)=C1 AM802868 [1,1,0,0,0,0|0,0,0]=2 297 B8R1.1 CC1=CSC(CO)=C1 AM804307 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.1 CC1=NC(CN)=CS1 AMY4585 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.1 CC1=NC=C(CCl)S1 AM806403 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.1 CC1=NC=C(CN)S1 AM804163 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.1 CC1=NC=C(CO)S1 AM804044 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.1 CC1=NOC(CN)=C1 AMY18673 [1,1,0,0,0,0|1,1,0]=4 303 B8R1.1 CCC1=CC(N)=NN1 AM20090110 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.1 CCC1=CC(N)=NO1 AM806538 [1,1,0,0,0,0|1,1,0]=4 305 B8R1.1 CCC1=NN=C(N)S1 AM90247 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.1 CCC1=NOC(N)=C1 AMY10596 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.1 CCN1C=C(Br)C=N1 AM20100672 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.1 CCN1C=C(N)C=N1 AM20110260 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.1 CCN1C=CC(N)=N1 AM20100358 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.1 CN1C=CC(CN)=N1 AM20100490 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.1 CN1C=CC(CN)=N1 AMY18294 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.1 CN1C=NC(CN)=C1 AM20100201 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.1 CNC1=NC(N)=CS1 AMY5740 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.1 COC1=CN=C(N)S1 AMY16200 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.1 ClCC1=CC=C(Cl)S1 AM808041 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.1 ClCC1=CN=C(Cl)S1 AM90548 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.1 ClCC1=NC(Br)=CS1 AMY30354 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.1 ClCC1=NC=C(Cl)S1 AMY42386 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.1 N#CC1=CC(Br)=CS1 AMY4783 [1,1,0,0,0,0|0,0,2]=4 320 B8R1.1 N#CC1=CC=C(Br)S1 AM20090196 [1,1,0,0,0,0|0,0,2]=4 321 B8R1.1 NC1=NC=C(CO)S1 AMY27022 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.1 NCC1=CC(Br)=CS1 AMY27187 [1,1,0,0,0,0|0,0,0]=2 323 B8R1.1 NCC1=CC(Br)=CS1 AMY27763 [1,1,0,0,0,0|0,0,0]=2 324 B8R1.1 NCC1=CC=C(Br)S1 AMY4598 [1,1,0,0,0,0|0,0,0]=2 325 B8R1.1 NCC1=CC=C(Cl)S1 AMY4935 [1,1,0,0,0,0|0,0,0]=2 326 B8R1.1 NCC1=CN=C(Cl)S1 AM20080153 [1,1,0,0,0,0|1,0,0]=3 327 B8R1.1 NCC1=CN=C(Cl)S1 AMY22916 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.1 NCC1=CSC(Br)=N1 AM101646 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.1 NCC1=CSC(N)=N1 AM100468 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.1 NCC1=CSC(S)=N1 AM98820 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.1 NCC1=NC(Br)=CS1 AMY23627 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.1 NCC1=NC(Br)=CS1 AMY23696 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.1 NCC1=NC=C(Br)S1 AMY33910 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.1 O=CC1=CC(Br)=CS1 AMY23272 [1,1,0,0,0,0|1,0,1]=4 335 B8R1.1 O=CC1=CC=C(Br)S1 AM20100185 [1,1,0,0,0,0|1,0,1]=4 336 B8R1.1 O=CC1=CC=C(Cl)S1 AMY23290 [1,1,0,0,0,0|1,0,1]=4 337 B8R1.1 OCC1=CC(Br)=CS1 AMY4597 [1,1,0,0,0,0|1,0,0]=3 338 B8R1.1 OCC1=CC=C(F)S1 AMY23548 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.1 OCC1=CN=C(Br)S1 AM20100637 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.1 OCC1=CN=C(Cl)S1 AMY32107 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.1 OCC1=NC(Br)=CS1 AM803481 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.1 OCC1=NC=C(Br)S1 AMY33911 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.7 CC(=O)C1=CC=CN1 AM90575 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.7 CC(=O)C1=CC=CO1 AM91073 [1,1,0,0,0,0|0,1,1]=4 345 B8R1.7 CC(=O)C1=CC=CS1 AM82005 [1,1,0,0,0,0|0,0,1]=3 346 B8R1.7 CC(=O)C1=CN=CS1 AM20120324 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.7 CC(=O)C1=NC=CS1 AM20090269 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.7 CC(C)C1=CC=CO1 AMY39189 [1,1,0,0,0,0|0,1,0]=3 349 B8R1.7 CC(C)C1=NC=CN1 AM20090593 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.7 CC(C)C1=NNC=C1 AMY4738 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.7 CC(C)N1C=CC=N1 AM80873 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.7 CN(C)C1=NC=CS1 AM87096 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.7 C[C@@H](N)C1=NNC=C1 AM807022 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.7 C[C@H](Br)C1=NC=CS1 AM92932 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.7 C[C@H](Cl)C1=CC=CN1 AM91548 [1,1,0,0,0,0|1,0,0]=3 356 B8R1.7 C[C@H](Cl)C1=CC=CO1 AM100959 [1,1,0,0,0,0|0,1,0]=3 357 B8R1.7 C[C@H](Cl)C1=CC=CS1 AM100622 [1,1,0,0,0,0|0,0,0]=2 358 B8R1.7 C[C@H](Cl)C1=NC=CS1 AM100800 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.7 C[C@H](N)C1=CC=CS1 AM804160 [1,1,0,0,0,0|0,0,0]=2 360 B8R1.7 C[C@H](N)C1=CN=CS1 AM806482 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.7 C[C@H](N)C1=NC=CN1 AM802963 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.7 C[C@H](N)C1=NC=CS1 AM100817 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.7 C[C@H](N)C1=NC=CS1 AM10444 [1,1,0,0,0,0|1,0,0]=3 364 B8R1.7 C[C@H](N)C1=NC=CS1 AM20120556 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.7 C[C@H](N)C1=NC=CS1 AM20120557 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.7 C[C@H](N)C1=NNC=C1 AM807021 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.7 C[C@H](O)C1=CC=CN1 AM100960 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.7 C[C@H](O)C1=CC=CO1 AM100808 [1,1,0,0,0,0|0,1,0]=3 369 B8R1.7 C[C@H](O)C1=CC=CS1 AM804356 [1,1,0,0,0,0|0,0,0]=2 370 B8R1.7 C[C@H](O)C1=CNC=N1 AM806534 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.7 C[C@H](O)C1=NC=CS1 AM100799 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.7 N=C(N)C1=CC=CN1 AMY19161 [1,1,0,0,0,0|1,0,1]=4 373 B8R1.7 N=C(N)C1=CC=CS1 AMY24706 [1,1,0,0,0,0|0,0,1]=3 374 B8R1.7 N=C(N)C1=NC=CS1 AM9956 [1,1,0,0,0,0|1,0,1]=4 375 B8R1.7 NC(=O)C1=CC=CN1 AMY29101 [1,1,0,0,0,0|1,0,1]=4 376 B8R1.7 NC(=O)C1=CC=CO1 AMY19477 [1,1,0,0,0,0|0,1,1]=4 377 B8R1.7 NC(=O)C1=NC=CS1 AMY31380 [1,1,0,0,0,0|1,0,1]=4 378 B8R1.7 O=C(O)C1=CC=CS1 AM20100294 [1,1,0,0,0,0|1,0,1]=4 379 B8R1.7 O=[N+]([O-])C1=CC=CS1 AM20100484 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.7 OB(O)C1=CC=CS1 AM804138 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.11 CC1=C(C#N)SC=C1 AMY7323 [1,1,0,0,0,0|0,0,2]=4 382 B8R1.11 CC1=C(C=O)SC=C1 AM20100422 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.11 CC1=C(CBr)SC=C1 AM100282 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.11 CC1=C(CN)SC=C1 AM802867 [1,1,0,0,0,0|0,0,0]=2 385 B8R1.11 CC1=C(CN)SC=N1 AM804424 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.11 CC1=C(CO)SC=C1 AM804179 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.11 CCC1=C(C)N=CS1 AMY18970 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.11 CCC1=CC=CN1N AMY31540 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.11 CCC1=NNC=C1I AMY11919 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.11 CCN1N=CC=C1Br AMY11956 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.11 CCN1N=CC=C1N AMY3954 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.11 CCN1N=CC=C1O AMY32875 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.11 CN1C=CC=C1CBr AM91469 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.11 CN1C=CC=C1CCl AM91470 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.11 CN1C=CC=C1CI AM98715 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.11 CN1C=CC=C1CO AM100905 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.11 CN1C=CC=C1CS AM101003 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.11 CN1C=CN=C1CN AM803071 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.11 CN1C=NC=C1CN AM803945 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.11 CN1N=CC=C1CN AM804432 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.11 N#CC1=C(Br)C=CS1 AMY22931 [1,1,0,0,0,0|0,0,2]=4 402 B8R1.11 NCC1=C(Cl)C=CS1 AMY23930 [1,1,0,0,0,0|0,0,0]=2 403 B8R1.11 O=CC1=C(Br)C=CS1 AM20120339 [1,1,0,0,0,0|1,0,1]=4 404 B8R1.11 O=CC1=C(Cl)C=CS1 AMY10893 [1,1,0,0,0,0|1,0,1]=4 405 B8R1.11 OCC1=C(Br)C=CS1 AMY34404 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.1 BrCCC1=CC=C(Br)C=C1 AM86694 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.1 CC1=NC=C(CCO)C=C1 AMY16174 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.1 CCCC1=CC=C(I)C=C1 AMY25672 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.1 CCCC1=CC=C(N)C=C1 AMY14427 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.1 ClC1=CC=C(CCBr)C=C1 AM82879 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.1 ClCCC1=CC=C(Cl)C=C1 AMY14369 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.1 FC1=CC=C(CCBr)C=C1 AM20060810 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.1 FC1=CC=C(CCCl)C=C1 AMY28602 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.1 NC1=CC=C(CCO)C=C1 AM84233 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.1 NCCC1=CC=C(Br)C=C1 AM20060458 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.1 NCCC1=CC=C(Cl)C=C1 AMY15451 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.1 NCCC1=CC=C(F)C=C1 AM20050132 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.1 NCCC1=CC=C(N)C=C1 AMY31595 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.1 NCCC1=CC=C(O)C=C1 AM20060645 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.1 NCCC1=CNC(=O)C=C1 AMY15260 [0,1,0,0,0,1|1,0,0]=3 421 B10R1.1 NNCC1=CC=C(Br)C=C1 AMY33821 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.1 NNCC1=CC=C(Cl)C=C1 AM20040024 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.1 NNCC1=CC=C(Cl)C=C1 AMY33838 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.1 NNCC1=CC=C(F)C=C1 AMY33851 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.1 NNCC1=CC=C(F)C=C1 AMY38271 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.1 NNCC1=CN=C(Cl)C=C1 AM9754 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.1 NNCC1=CN=C(Cl)C=C1 AM9790 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.1 NOCC1=CC=C(Cl)C=C1 AM90374 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.1 NOCC1=CC=C(F)C=C1 AM90371 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.1 OCCC1=CC=C(Br)C=C1 AM20060213 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.1 OCCC1=CC=C(Cl)C=C1 AM20030229 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.1 OCCC1=CC=C(F)C=C1 AM84232 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.1 OCCC1=CC=C(I)C=C1 AM20040637 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.1 OCCC1=CC=C(O)C=C1 AM20060146 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.1 OCCC1=CN=C(Cl)C=C1 AMY30399 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.4 CC1=C(CCBr)C=CC=C1 AM82901 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.4 ClC1=C(CCBr)C=CC=C1 AM83054 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.4 FC1=C(CCBr)C=CC=C1 AMY11042 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.4 FC1=C(CCCl)C=CC=C1 AMY41434 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.4 NC1=C(CCO)C=CC=C1 AMY301 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.4 NCCC1=C(Br)C=CC=C1 AM20060706 [0,1,0,0,0,1|1,0,0]=3 442 B10R1.4 NCCC1=C(N)C=CC=C1 AMY14499 [0,1,0,0,0,1|1,0,0]=3 443 B10R1.4 NCCC1=C(O)C=CC=C1 AMY4283 [0,1,0,0,0,1|1,0,0]=3 444 B10R1.4 NNCC1=C(Br)C=CC=C1 AMY33583 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.4 NNCC1=C(Cl)C=CC=C1 AM20040601 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.4 NNCC1=C(Cl)C=CC=C1 AMY34475 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.4 NNCC1=C(F)C=CC=C1 AM20050453 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.4 NNCC1=C(F)C=CC=C1 AMY6629 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.4 NOCC1=C(Cl)C=CC=C1 AM90380 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.4 NOCC1=C(F)C=CC=C1 AM90379 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.4 OCCC1=C(O)C=CC=C1 AMY37713 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.10 CCCC1=CC(N)=NC=C1 AMY2565 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.10 CCCC1=CC=CC(Br)=C1 AMY28206 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.10 CCCC1=CC=CC(F)=C1 AMY36964 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.10 CCCC1=CC=CC(N)=N1 AM20080855 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.10 CCCC1=NC=CC(O)=C1 AM20050686 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.10 FC1=CC=CC(CCBr)=C1 AM82953 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.10 NC1=CC=CC(CCO)=C1 AM84231 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.10 NCCC1=CC=CC(Br)=C1 AM20060684 [0,1,0,0,0,1|1,0,0]=3 460 B10R1.10 NCCC1=CC=CC(Cl)=C1 AMY3813 [0,1,0,0,0,1|1,0,0]=3 461 B10R1.10 NCCC1=CC=CC(F)=C1 AM20040419 [0,1,0,0,0,1|1,0,0]=3 462 B10R1.10 NCCC1=CC=CC(O)=C1 AM20040226 [0,1,0,0,0,1|1,0,0]=3 463 B10R1.10 NNCC1=CC=CC(Cl)=C1 AMY202003280 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.10 NNCC1=CC=CC(F)=C1 AM20040602 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.10 NNCC1=CC=CC(F)=C1 AMY6643 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.10 NNCC1=CC=CC(O)=C1 AMY877 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.10 NOCC1=CC=CC(Cl)=C1 AM90372 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.10 NOCC1=CC=CC(F)=C1 AM90377 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.10 OCCC1=CC=CC(Br)=C1 AM20060589 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.10 OCCC1=CC=CC(Br)=N1 AMY36494 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.10 OCCC1=CC=CC(Cl)=C1 AM20060377 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.10 OCCC1=CC=CC(F)=C1 AM82932 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.10 OCCC1=CC=CC(O)=C1 AMY41470 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 AM100503 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.15 CC[C@H](C)C1=CC=NC=C1 AMY6162 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.15 CC[C@H](Cl)C1=CC=CC=C1 AM101650 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.15 CC[C@H](N)C1=CC=NC=C1 AMY20033 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.15 CC[C@H](O)C1=CC=CC=C1 AMY40852 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AM20060588 [0,1,0,0,0,1|1,0,0]=3 480 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AM20060837 [0,1,0,0,0,1|1,0,0]=3 481 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AM803357 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.15 C[C@@H](CS)C1=CC=CC=C1 AM85735 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 AMY5461 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.15 NCC(=O)C1=CC=CC=C1 AM20040689 [0,1,0,0,0,1|1,0,1]=4 485 B10R1.15 NCC(=O)C1=NC=CC=C1 AMY15094 [0,1,0,0,0,1|1,0,1]=4 486 B10R1.15 NCC(=O)C1=NC=CN=C1 AM100850 [0,1,0,0,0,1|1,0,1]=4 487 B10R1.15 NCC(=O)C1=NC=CN=C1 AM101256 [0,1,0,0,0,1|1,0,1]=4 488 B10R1.15 NC[C@H](O)C1=CC=CC=C1 AM20060574 [0,1,0,0,0,1|1,0,0]=3 489 B10R1.15 NC[C@H](O)C1=CC=CC=C1 AM20060775 [0,1,0,0,0,1|1,0,0]=3 490 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AM806446 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AM806447 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AM20060812 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 AMY41554 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 AM9135 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 AMY20153 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.15 OC[C@H](O)C1=CC=CC=C1 AMY11156 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.17 BrCCOC1=CC=CC=C1 AM61603 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.17 BrCCOC1=CN=CC=C1 AM86673 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.17 C#CCCC1=CC=CC=C1 AMY20777 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.17 CCNCC1=CC=CN=C1 AM100641 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.17 CCNCC1=CC=NC=C1 AMY23361 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.17 CCNCC1=NC=CN=C1 AM101647 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.17 CCOCC1=CC=CC=C1 AMY22000 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.17 CNCCC1=NC=CC=C1 AMY40800 [0,1,0,0,0,1|1,0,0]=3 505 B10R1.17 ClCCOC1=CC=CC=C1 AMY9421 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.17 ClCOCC1=CC=CC=C1 AM100720 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.17 N#CCCC1=CC=CC=C1 AMY4073 [0,1,0,0,0,1|1,0,1]=4 508 B10R1.17 N#CCCC1=CN=CC=C1 AM86954 [0,1,0,0,0,1|1,0,1]=4 509 B10R1.17 NCCCC1=CC=NC=C1 AMY4296 [0,1,0,0,0,1|1,0,0]=3 510 B10R1.17 NCCNC1=NC=CC=N1 AMY29017 [0,1,0,0,0,1|1,0,0]=3 511 B10R1.17 NCCOC1=CC=CC=C1 AM20060530 [0,1,0,0,0,1|1,0,0]=3 512 B10R1.17 NCCOC1=NC=CC=C1 AM20120568 [0,1,0,0,0,1|1,0,0]=3 513 B10R1.17 NCCSC1=CC=NC=C1 AM101775 [0,1,0,0,0,1|1,0,0]=3 514 B10R1.17 OCCCC1=CC=NC=C1 AM81311 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.17 OCCCC1=CCC=CC1 AM804450 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.17 OCCCC1=NC=CC=C1 AMY3551 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.17 OCCOC1=CC=CC=C1 AMY9420 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.17 OCCSC1=CC=NC=C1 AM100327 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.18 CC(C)CC1=CC=CC=C1 AMY22254 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 AMY11172 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.18 C[C@H](O)CC1=CC=CC=C1 AMY25574 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.18 NC(=O)CC1=CN=CC=C1 AM85743 [0,1,0,0,0,1|1,0,1]=4 523 B10R1.14 CC1=CC=C([C@@H](N)CO)S1 AM8965 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.16 CCNCC1=CN=C(Cl)S1 AM91113 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.16 CCOCC1=CN=C(Cl)S1 AM91124 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.54 CC1=NOC(C[C@H](C)N)=C1 AM803035 [0,2,0,0,0,0|1,1,0]=4 527 B10R1.130 CC1=CC(C)=NN1CCN AM804155 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.11 CNCC(=O)C1=CC=CN1 AM101191 [0,2,0,0,0,0|1,0,1]=4 529 B10R1.11 CNCC(=O)C1=CC=CO1 AM91861 [0,2,0,0,0,0|0,1,1]=4 530 B10R1.11 CNCC(=O)C1=CC=CS1 AM101645 [0,2,0,0,0,0|0,0,1]=3 531 B10R1.11 CNCC(=O)C1=NC=CS1 AM93776 [0,2,0,0,0,0|1,0,1]=4 532 B10R1.11 CSCC(=O)C1=CC=CS1 AM20100098 [0,2,0,0,0,0|1,0,1]=4 533 B10R1.11 N[C@@H](CCO)C1=CC=CS1 AM101138 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.11 O=C(CCCl)C1=CC=CS1 AMY31394 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.11 OCC[C@H](O)C1=CC=CS1 AM90636 [0,2,0,0,0,0|1,0,0]=3 536 B10R1.11 O[C@@H](CCCl)C1=CC=CS1 AM20080694 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.23 CC(Br)C(C)C1=CC=CS1 AMY22862 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.149 CN1C=CC=C1C(=O)CN AMY15085 [0,2,0,0,0,0|1,0,1]=4 539 B10R1.21 OCCNCC1=CN=CS1 AM91912 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.66 CC(C)NCC1=CC=CO1 AM100322 [0,2,0,0,0,0|1,1,0]=4 541 B10R1.66 CC(C)NCC1=CN=CS1 AM101605 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.66 CC(C)NCC1=CN=CS1 AM98022 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.66 O=C(O)CCC1=CC=CN1 AM803865 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.66 O=C(O)CCC1=CC=CS1 AMY37950 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.66 O=C(O)CCC1=NC=CS1 AM20080334 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.66 O=C(O)CNC1=CC=CS1 AMY16094 [0,2,0,0,0,0|1,0,1]=4 547 B10R1.66 O=C(O)CSC1=CC=CS1 AM101206 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.187 NCCN1C(=O)C=CC1=O AMY22716 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.187 NCCN1C(=O)C=CC1=O AMY412 [0,2,0,0,0,0|2,0,0]=4 550 B8R1.2 NCC1=CC=CN=C1 AM101339 [0,0,1,1,0,0|1,0,1]=4 551 B8R1.2 NCC1=CC=CN=C1 AM20061720 [0,0,1,1,0,0|1,0,1]=4 552 B8R1.2 NCC1=NC=CC=C1 AM101338 [0,0,1,1,0,0|1,0,1]=4 553 B8R1.2 NCC1=NC=CC=C1 AM803799 [0,0,1,1,0,0|1,0,1]=4 554 B8R1.5 NC1=C(S)C=CC=C1 AM86567 [0,0,1,1,0,0|0,0,2]=4 555 B8R1.5 NC1=C(S)C=CC=N1 AMY16175 [0,0,1,1,0,0|1,0,1]=4 556 B8R1.49 C1=CCCCCC=C1 AMY19658 [0,0,1,1,0,0|2,0,0]=4 557 B10R2.6 C1=CC=C(C2CC2)C=C1 AM87308 [0,0,0,1,0,1|2,0,0]=4 558 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 AMY14840 [0,0,0,1,0,1|2,0,0]=4 559 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 AMY14841 [0,0,0,1,0,1|2,0,0]=4 560 B10R2.7 C1=CC2=C(C=C1)NCC2 AM85791 [0,0,0,1,0,1|1,0,0]=3 561 B10R2.7 C1=CC2=C(C=C1)SCC2 AMY19129 [0,0,0,1,0,1|2,0,0]=4 562 B10R2.7 C1=CN=C2CCCC2=C1 AMY8991 [0,0,0,1,0,1|2,0,0]=4 563 B10R2.7 C1=CN=C2NCCC2=C1 AM20050638 [0,0,0,1,0,1|1,0,0]=3 564 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 AM20030339 [0,0,0,1,0,1|2,0,0]=4 565 B10R2.2 O=C1NC2=C(N1)SC=C2 AM86015 [0,1,0,1,0,0|1,0,1]=4 566 B10R2.32 O=C1CCC2=C1C=CS2 AM20100390 [0,1,0,1,0,0|1,0,0]=3 567 B10R2.32 O=C1CCC2=C1SC=C2 AM20100391 [0,1,0,1,0,0|1,0,1]=4