0 B7R1.1 BrCC1=CC=CS1 AMY22870 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.1 BrCC1=CC=NO1 AM804245 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.1 BrCC1=CN=CS1 AM20090008 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 BrCC1=CSC=C1 AM100695 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 BrCC1=NC=CO1 AM85471 [0,0,0,0,0,0|2,1,0]=3 5 B7R1.1 BrCC1=NOC=C1 AM804339 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 C#CC1=CC=CS1 AMY15557 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.1 C#CC1=CSC=C1 AMY15559 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 C=CC1=CC=CS1 AM84662 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.1 C=CC1=NC=CN1 AMY440 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 C=CC1=NNC=C1 AMY34845 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 CCC1=CC=CS1 AM20110253 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.1 CCC1=CNN=C1 AM803320 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CCC1=NC=CN1 AM81998 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 CCC1=NN=CO1 AM20080226 [0,0,0,0,0,0|3,1,0]=4 15 B7R1.1 CCN1C=CC=N1 AM20090357 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 CNC1=NC=CO1 AM804633 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.1 CNC1=NC=CS1 AMY28978 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 CNC1=NNC=C1 AM806557 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.1 CNC1=NOC=C1 AM806468 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 CNC1=NOC=C1 AM806552 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 COC1=CC=CS1 AMY23227 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 COC1=CSC=C1 AMY23252 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 COC1=NNC=C1 AMY5035 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.1 CSC1=CNC=N1 AMY36581 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 ClCC1=CC=CO1 AMY26896 [0,0,0,0,0,0|1,1,0]=2 26 B7R1.1 ClCC1=CC=CS1 AM20100753 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.1 ClCC1=CN=CN1 AM90206 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 ClCC1=CN=CO1 AMY41018 [0,0,0,0,0,0|2,1,0]=3 29 B7R1.1 ClCC1=CN=CS1 AM100831 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.1 ClCC1=CN=CS1 AM91849 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.1 ClCC1=CSC=C1 AM100610 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 ClCC1=CSC=N1 AMY13412 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.1 ClCC1=NC=CO1 AM20090081 [0,0,0,0,0,0|2,1,0]=3 34 B7R1.1 ClCC1=NNC=C1 AMY9070 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.1 N#CC1=CC=CN1 AM90100 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.1 N#CC1=CC=CO1 AMY202100107 [0,0,0,0,0,0|1,1,1]=3 37 B7R1.1 N#CC1=CC=CS1 AM20070640 [0,0,0,0,0,0|1,0,1]=2 38 B7R1.1 N#CC1=CN=CN1 AM20100401 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.1 N#CC1=COC=C1 AM20090407 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.1 N#CC1=COC=N1 AMY29122 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.1 N#CC1=CSC=C1 AM20080462 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.1 N#CC1=CSC=N1 AMY1638 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.1 N#CC1=NC=CO1 AM85873 [0,0,0,0,0,0|2,1,1]=4 44 B7R1.1 N#CC1=NC=CS1 AM85588 [0,0,0,0,0,0|2,0,1]=3 45 B7R1.1 N#CC1=NNC=C1 AM20090586 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.1 N#CC1=NOC=C1 AMY3701 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.1 NCC1=CC=CN1 AMY19157 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.1 NCC1=CC=CS1 AM803624 [0,0,0,0,0,0|1,0,0]=1 49 B7R1.1 NCC1=CC=NO1 AM20120499 [0,0,0,0,0,0|2,1,0]=3 50 B7R1.1 NCC1=CN=CO1 AM20110214 [0,0,0,0,0,0|2,1,0]=3 51 B7R1.1 NCC1=CN=CS1 AM20080445 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.1 NCC1=CN=CS1 AM91850 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.1 NCC1=CN=CS1 AMY34314 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.1 NCC1=CNC=N1 AMY23030 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.1 NCC1=CNC=N1 AMY7828 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.1 NCC1=CNN=C1 AM20100001 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.1 NCC1=CNN=C1 AMY34613 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.1 NCC1=CNN=N1 AMY37244 [0,0,0,0,0,0|4,0,0]=4 59 B7R1.1 NCC1=CSC=N1 AM806141 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.1 NCC1=NC=CN1 AM20090227 [0,0,0,0,0,0|3,0,0]=3 61 B7R1.1 NCC1=NC=CS1 AM20100366 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.1 NCC1=NC=CS1 AMY16275 [0,0,0,0,0,0|2,0,0]=2 63 B7R1.1 NCC1=NC=NN1 AMY23490 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.1 NCC1=NNC=C1 AM20090607 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.1 NCC1=NNC=C1 AMY36478 [0,0,0,0,0,0|3,0,0]=3 66 B7R1.1 NCC1=NOC=C1 AM20080222 [0,0,0,0,0,0|3,0,0]=3 67 B7R1.1 NNC1=NC=CS1 AMY4938 [0,0,0,0,0,0|3,0,0]=3 68 B7R1.1 O=CC1=CC=CN1 AM20070639 [0,0,0,0,0,0|1,0,2]=3 69 B7R1.1 O=CC1=CC=CO1 AM81812 [0,0,0,0,0,0|0,1,2]=3 70 B7R1.1 O=CC1=CC=CS1 AM20120394 [0,0,0,0,0,0|0,0,2]=2 71 B7R1.1 O=CC1=CC=NN1 AMY11891 [0,0,0,0,0,0|2,0,2]=4 72 B7R1.1 O=CC1=CC=NO1 AMY41963 [0,0,0,0,0,0|1,1,2]=4 73 B7R1.1 O=CC1=CC=NS1 AMY42117 [0,0,0,0,0,0|1,0,2]=3 74 B7R1.1 O=CC1=CCC=C1 AMY14685 [0,0,0,0,0,0|1,0,3]=4 75 B7R1.1 O=CC1=CN=CO1 AM20080128 [0,0,0,0,0,0|1,1,2]=4 76 B7R1.1 O=CC1=CN=CS1 AM20070641 [0,0,0,0,0,0|1,0,2]=3 77 B7R1.1 O=CC1=CNC=C1 AM20100673 [0,0,0,0,0,0|2,0,2]=4 78 B7R1.1 O=CC1=CNC=N1 AM20090419 [0,0,0,0,0,0|2,0,2]=4 79 B7R1.1 O=CC1=COC=C1 AM85794 [0,0,0,0,0,0|2,0,2]=4 80 B7R1.1 O=CC1=COC=N1 AM20080127 [0,0,0,0,0,0|2,0,2]=4 81 B7R1.1 O=CC1=CSC=C1 AM20100214 [0,0,0,0,0,0|2,0,2]=4 82 B7R1.1 O=CC1=CSC=N1 AM20090515 [0,0,0,0,0,0|2,0,2]=4 83 B7R1.1 O=CC1=NC=CN1 AM20070660 [0,0,0,0,0,0|2,0,2]=4 84 B7R1.1 O=CC1=NC=CO1 AM20100592 [0,0,0,0,0,0|1,1,2]=4 85 B7R1.1 O=CC1=NC=CS1 AM20070674 [0,0,0,0,0,0|1,0,2]=3 86 B7R1.1 O=CC1=NNC=C1 AM20100032 [0,0,0,0,0,0|2,0,2]=4 87 B7R1.1 O=CC1=NOC=C1 AM804505 [0,0,0,0,0,0|2,0,2]=4 88 B7R1.1 O=S=C1NC=CO1 AMY37038 [0,0,0,0,0,0|2,1,1]=4 89 B7R1.1 OCC1=CC=CN1 AMY19087 [0,0,0,0,0,0|1,0,0]=1 90 B7R1.1 OCC1=CC=CO1 AM81811 [0,0,0,0,0,0|0,1,0]=1 91 B7R1.1 OCC1=CC=CS1 AM804174 [0,0,0,0,0,0|0,0,0]=0 92 B7R1.1 OCC1=CC=NO1 AM20120507 [0,0,0,0,0,0|1,1,0]=2 93 B7R1.1 OCC1=CN=CN1 AM804377 [0,0,0,0,0,0|2,0,0]=2 94 B7R1.1 OCC1=CN=CO1 AM86088 [0,0,0,0,0,0|1,1,0]=2 95 B7R1.1 OCC1=CN=CS1 AM20100025 [0,0,0,0,0,0|1,0,0]=1 96 B7R1.1 OCC1=CNC=N1 AM20090479 [0,0,0,0,0,0|2,0,0]=2 97 B7R1.1 OCC1=CNN=C1 AMY5501 [0,0,0,0,0,0|3,0,0]=3 98 B7R1.1 OCC1=COC=C1 AM85772 [0,0,0,0,0,0|2,0,0]=2 99 B7R1.1 OCC1=COC=N1 AM20080403 [0,0,0,0,0,0|2,0,0]=2 100 B7R1.1 OCC1=CSC=C1 AMY17815 [0,0,0,0,0,0|2,0,0]=2 101 B7R1.1 OCC1=CSC=N1 AM20100663 [0,0,0,0,0,0|2,0,0]=2 102 B7R1.1 OCC1=NC=CN1 AM807005 [0,0,0,0,0,0|2,0,0]=2 103 B7R1.1 OCC1=NC=CO1 AM20080218 [0,0,0,0,0,0|1,1,0]=2 104 B7R1.1 OCC1=NC=CS1 AM803222 [0,0,0,0,0,0|1,0,0]=1 105 B7R1.1 OCC1=NNC=C1 AM20090254 [0,0,0,0,0,0|2,0,0]=2 106 B7R1.1 OCC1=NNC=C1 AMY29121 [0,0,0,0,0,0|2,0,0]=2 107 B7R1.1 OCC1=NOC=C1 AMY37652 [0,0,0,0,0,0|2,0,0]=2 108 B7R1.1 OCC1CC=CC1 AM20090293 [0,0,0,0,0,0|1,0,2]=3 109 B7R1.1 OCN1C=CN=C1 AMY39909 [0,0,0,0,0,0|3,0,0]=3 110 B6R1.2 BrC1=CC=CO1 AMY11096 [1,0,0,0,0,0|1,1,0]=3 111 B6R1.2 BrC1=CC=CS1 AMY21853 [1,0,0,0,0,0|1,0,0]=2 112 B6R1.2 BrC1=CC=NO1 AMY42513 [1,0,0,0,0,0|2,1,0]=4 113 B6R1.2 BrC1=CN=CS1 AM20090420 [1,0,0,0,0,0|2,0,0]=3 114 B6R1.2 BrC1=CNC=C1 AMY19187 [1,0,0,0,0,0|3,0,0]=4 115 B6R1.2 BrC1=CNC=N1 AM20090241 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 BrC1=COC=C1 AM81635 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 BrC1=CSC=C1 AM81213 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 BrC1=CSC=N1 AM20090525 [1,0,0,0,0,0|3,0,0]=4 119 B6R1.2 BrC1=NC=CN1 AM20080475 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 BrC1=NC=CS1 AM803661 [1,0,0,0,0,0|2,0,0]=3 121 B6R1.2 BrC1=NC=NS1 AMY26973 [1,0,0,0,0,0|3,0,0]=4 122 B6R1.2 BrC1=NN=CS1 AM20100514 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 BrC1=NNC=C1 AM20080342 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 BrC1=NOC=C1 AM802930 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 CC1=CC=CN1 AMY18997 [1,0,0,0,0,0|1,0,0]=2 126 B6R1.2 CC1=CC=CO1 AMY11051 [1,0,0,0,0,0|0,1,0]=2 127 B6R1.2 CC1=CC=CS1 AMY23234 [1,0,0,0,0,0|0,0,0]=1 128 B6R1.2 CC1=CC=NN1 AM20120265 [1,0,0,0,0,0|2,0,0]=3 129 B6R1.2 CC1=CC=NO1 AM20100414 [1,0,0,0,0,0|1,1,0]=3 130 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,0,0,0|1,0,2]=4 131 B6R1.2 CC1=CN=C[Tb]1 AMY33347 [1,0,0,0,0,0|2,0,0]=3 132 B6R1.2 CC1=CNC=C1 AMY14173 [1,0,0,0,0,0|2,0,0]=3 133 B6R1.2 CC1=CNC=N1 AMY23279 [1,0,0,0,0,0|2,0,0]=3 134 B6R1.2 CC1=CNN=C1 AM20100737 [1,0,0,0,0,0|3,0,0]=4 135 B6R1.2 CC1=CNN=N1 AMY22953 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 CC1=COC=N1 AMY32123 [1,0,0,0,0,0|2,0,0]=3 137 B6R1.2 CC1=CSC=C1 AMY40151 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.2 CC1=CSC=N1 AM20100646 [1,0,0,0,0,0|2,0,0]=3 139 B6R1.2 CC1=NC=CN1 AM20100647 [1,0,0,0,0,0|2,0,0]=3 140 B6R1.2 CC1=NC=CO1 AMY24088 [1,0,0,0,0,0|1,1,0]=3 141 B6R1.2 CC1=NC=CS1 AM20090566 [1,0,0,0,0,0|1,0,0]=2 142 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,0,0,0|1,0,2]=4 143 B6R1.2 CC1=NN=CO1 AM20090539 [1,0,0,0,0,0|2,1,0]=4 144 B6R1.2 CC1=NNC=C1 AM62623 [1,0,0,0,0,0|2,0,0]=3 145 B6R1.2 CC1=NNC=N1 AMY10447 [1,0,0,0,0,0|3,0,0]=4 146 B6R1.2 CN1C=CC=C1 AM10659 [1,0,0,0,0,0|2,0,0]=3 147 B6R1.2 CN1C=CC=N1 AM20120336 [1,0,0,0,0,0|2,0,0]=3 148 B6R1.2 CN1C=CN=N1 AMY23102 [1,0,0,0,0,0|3,0,0]=4 149 B6R1.2 CN1C=NC=N1 AM20100479 [1,0,0,0,0,0|3,0,0]=4 150 B6R1.2 ClC1=CC=CS1 AM82003 [1,0,0,0,0,0|1,0,0]=2 151 B6R1.2 ClC1=CC=NN1 AMY19315 [1,0,0,0,0,0|3,0,0]=4 152 B6R1.2 ClC1=CSC=C1 AMY23250 [1,0,0,0,0,0|3,0,0]=4 153 B6R1.2 ClC1=CSC=N1 AMY1636 [1,0,0,0,0,0|3,0,0]=4 154 B6R1.2 ClC1=NC=CN1 AM803289 [1,0,0,0,0,0|3,0,0]=4 155 B6R1.2 ClC1=NC=CS1 AM803660 [1,0,0,0,0,0|2,0,0]=3 156 B6R1.2 ClC1=NC=NS1 AM20100023 [1,0,0,0,0,0|3,0,0]=4 157 B6R1.2 ClC1=NNC=C1 AMY11915 [1,0,0,0,0,0|3,0,0]=4 158 B6R1.2 FC1=CC=CS1 AM85431 [1,0,0,0,0,0|1,0,0]=2 159 B6R1.2 FC1=CNC=C1 AMY14699 [1,0,0,0,0,0|3,0,0]=4 160 B6R1.2 FC1=NNC=C1 AMY34850 [1,0,0,0,0,0|3,0,0]=4 161 B6R1.2 IC1=CC=CS1 AM86883 [1,0,0,0,0,0|1,0,0]=2 162 B6R1.2 IC1=CC=NN1 AM20070657 [1,0,0,0,0,0|3,0,0]=4 163 B6R1.2 IC1=CNC=N1 AM20090545 [1,0,0,0,0,0|3,0,0]=4 164 B6R1.2 IC1=CSC=C1 AM20070697 [1,0,0,0,0,0|3,0,0]=4 165 B6R1.2 IC1=NC=CN1 AM20090422 [1,0,0,0,0,0|3,0,0]=4 166 B6R1.2 IC1=NC=CO1 AMY33608 [1,0,0,0,0,0|2,1,0]=4 167 B6R1.2 IC1=NC=CS1 AMY27328 [1,0,0,0,0,0|2,0,0]=3 168 B6R1.2 IC1=NNC=C1 AM803927 [1,0,0,0,0,0|3,0,0]=4 169 B6R1.2 NC1=CC=NN1 AMY23077 [1,0,0,0,0,0|3,0,0]=4 170 B6R1.2 NC1=CC=NO1 AM20080357 [1,0,0,0,0,0|2,1,0]=4 171 B6R1.2 NC1=CC=NS1 AMY18758 [1,0,0,0,0,0|2,0,0]=3 172 B6R1.2 NC1=CN=CS1 AM82008 [1,0,0,0,0,0|2,0,0]=3 173 B6R1.2 NC1=CN=NS1 AM20100091 [1,0,0,0,0,0|3,0,0]=4 174 B6R1.2 NC1=CNC=N1 AMY40030 [1,0,0,0,0,0|3,0,0]=4 175 B6R1.2 NC1=CSC=C1 AMY15168 [1,0,0,0,0,0|3,0,0]=4 176 B6R1.2 NC1=CSC=C1 AMY15435 [1,0,0,0,0,0|3,0,0]=4 177 B6R1.2 NC1=CSC=C1 AMY5250 [1,0,0,0,0,0|3,0,0]=4 178 B6R1.2 NC1=CSC=N1 AMY15985 [1,0,0,0,0,0|3,0,0]=4 179 B6R1.2 NC1=NC=CN1 AM20080341 [1,0,0,0,0,0|3,0,0]=4 180 B6R1.2 NC1=NC=CN1 AM82001 [1,0,0,0,0,0|3,0,0]=4 181 B6R1.2 NC1=NC=CO1 AM20100168 [1,0,0,0,0,0|2,1,0]=4 182 B6R1.2 NC1=NC=CS1 AM20120385 [1,0,0,0,0,0|2,0,0]=3 183 B6R1.2 NC1=NC=NS1 AM20080389 [1,0,0,0,0,0|3,0,0]=4 184 B6R1.2 NC1=NC=NS1 AM20100736 [1,0,0,0,0,0|3,0,0]=4 185 B6R1.2 NC1=NN=CS1 AMY3973 [1,0,0,0,0,0|3,0,0]=4 186 B6R1.2 NC1=NNC=C1 AM20090067 [1,0,0,0,0,0|3,0,0]=4 187 B6R1.2 NC1=NOC=C1 AM20090043 [1,0,0,0,0,0|3,0,0]=4 188 B6R1.2 NN1C=CC=C1 AM20100752 [1,0,0,0,0,0|3,0,0]=4 189 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,0,0,0|1,0,2]=4 190 B6R1.2 O=C1C=CCO1 AM20100212 [1,0,0,0,0,0|0,1,2]=4 191 B6R1.2 O=C1C=CNN1 AMY11929 [1,0,0,0,0,0|2,0,1]=4 192 B6R1.2 O=C1NC=CN1 AMY20044 [1,0,0,0,0,0|2,0,1]=4 193 B6R1.2 O=C1OC=CO1 AMY10397 [1,0,0,0,0,0|1,1,1]=4 194 B6R1.2 OC1=CNN=C1 AMY1926 [1,0,0,0,0,0|3,0,0]=4 195 B6R1.2 OC1=NNC=C1 AMY4993 [1,0,0,0,0,0|2,0,0]=3 196 B6R1.2 OC1=NOC=C1 AMY12303 [1,0,0,0,0,0|2,0,0]=3 197 B6R1.2 OC1CC=CC1 AMY9178 [1,0,0,0,0,0|1,0,2]=4 198 B6R1.2 ON1C=CC=N1 AMY34612 [1,0,0,0,0,0|2,0,0]=3 199 B6R1.2 SC1=CC=CS1 AMY33408 [1,0,0,0,0,0|0,1,0]=2 200 B6R1.2 SC1=CSC=C1 AMY10985 [1,0,0,0,0,0|2,1,0]=4 201 B6R1.2 SC1=NC=CS1 AM10703 [1,0,0,0,0,0|1,1,0]=3 202 B6R1.2 SC1=NN=CS1 AMY23223 [1,0,0,0,0,0|2,1,0]=4 203 B8R1.1 BrCC1=CN=C(Br)S1 AMY4696 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.1 BrCC1=NC(Br)=CS1 AM805459 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.1 CC1=CC(CCl)=NO1 AMY27043 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.1 CC1=CC(CN)=NO1 AM20080394 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.1 CC1=CC(CO)=NN1 AM806535 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.1 CC1=CC(CO)=NO1 AM85740 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.1 CC1=CC=C(C#N)N1 AMY19095 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.1 CC1=CC=C(C#N)S1 AMY4814 [0,1,0,0,0,0|1,0,1]=3 211 B8R1.1 CC1=CC=C(C=O)N1 AM803022 [0,1,0,0,0,0|1,0,2]=4 212 B8R1.1 CC1=CC=C(C=O)O1 AMY23296 [0,1,0,0,0,0|0,1,2]=4 213 B8R1.1 CC1=CC=C(C=O)S1 AM803182 [0,1,0,0,0,0|0,0,2]=3 214 B8R1.1 CC1=CC=C(CN)S1 AM802866 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.1 CC1=CC=C(CN)S1 AMY4599 [0,1,0,0,0,0|1,0,0]=2 216 B8R1.1 CC1=CC=C(CO)O1 AMY41923 [0,1,0,0,0,0|0,1,0]=2 217 B8R1.1 CC1=CC=C(CO)S1 AM804180 [0,1,0,0,0,0|0,0,0]=1 218 B8R1.1 CC1=CN=C(CN)O1 AMY35786 [0,1,0,0,0,0|2,1,0]=4 219 B8R1.1 CC1=CN=C(CN)O1 AMY35797 [0,1,0,0,0,0|2,1,0]=4 220 B8R1.1 CC1=CN=C(CO)S1 AMY17419 [0,1,0,0,0,0|1,0,0]=2 221 B8R1.1 CC1=CNC(C=O)=C1 AMY17862 [0,1,0,0,0,0|1,0,2]=4 222 B8R1.1 CC1=CNC(CN)=N1 AM803982 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.1 CC1=COC(CN)=N1 AM806396 [0,1,0,0,0,0|2,1,0]=4 224 B8R1.1 CC1=CSC(C=O)=C1 AM804119 [0,1,0,0,0,0|0,0,2]=3 225 B8R1.1 CC1=CSC(C=O)=N1 AM803186 [0,1,0,0,0,0|1,0,2]=4 226 B8R1.1 CC1=CSC(CN)=C1 AM802868 [0,1,0,0,0,0|1,0,0]=2 227 B8R1.1 CC1=CSC(CO)=C1 AM804307 [0,1,0,0,0,0|0,0,0]=1 228 B8R1.1 CC1=NC(CCl)=CS1 AM804353 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.1 CC1=NC(CCl)=CS1 AMY202100079 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.1 CC1=NC(CN)=CS1 AMY4585 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.1 CC1=NC(CO)=CO1 AMY15126 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.1 CC1=NC(CO)=CS1 AMY4969 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.1 CC1=NC=C(C=O)S1 AMY18110 [0,1,0,0,0,0|1,0,2]=4 234 B8R1.1 CC1=NC=C(CCl)S1 AM806403 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.1 CC1=NC=C(CN)S1 AM804163 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.1 CC1=NC=C(CO)N1 AM806536 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.1 CC1=NC=C(CO)O1 AMY202003195 [0,1,0,0,0,0|1,1,0]=3 238 B8R1.1 CC1=NC=C(CO)S1 AM804044 [0,1,0,0,0,0|1,0,0]=2 239 B8R1.1 CC1=NN=C(CCl)S1 AM20100734 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.1 CC1=NNC(CO)=C1 AMY32726 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.1 CC1=NOC(CBr)=C1 AMY23827 [0,1,0,0,0,0|2,1,0]=4 242 B8R1.1 CC1=NOC(CN)=C1 AMY18673 [0,1,0,0,0,0|2,1,0]=4 243 B8R1.1 CCC1=CC(N)=NN1 AM20090110 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.1 CCC1=CC(N)=NO1 AM806538 [0,1,0,0,0,0|2,1,0]=4 245 B8R1.1 CCC1=NN=C(N)S1 AM90247 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.1 CCC1=NOC(N)=C1 AMY10596 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.1 CCN1C=C(Br)C=N1 AM20100672 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.1 CCN1C=C(N)C=N1 AM20110260 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.1 CCN1C=CC(N)=N1 AM20100358 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.1 CN1C=C(CO)C=N1 AM20080070 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.1 CN1C=CC(CCl)=N1 AM85007 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.1 CN1C=CC(CN)=N1 AM20100490 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.1 CN1C=CC(CN)=N1 AMY18294 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.1 CN1C=CC(CO)=N1 AM804390 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.1 CN1C=NC(CCl)=C1 AMY28633 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.1 CN1C=NC(CCl)=C1 AMY28692 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.1 CN1C=NC(CN)=C1 AM20100201 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.1 CN1C=NC(CO)=C1 AM803338 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.1 CN1C=NC(CO)=N1 AM20080257 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.1 CNC1=NC(N)=CS1 AMY5740 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.1 COC1=CN=C(N)S1 AMY16200 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.1 ClCC1=CC=C(Cl)S1 AM808041 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.1 ClCC1=CN=C(Cl)S1 AM90548 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.1 ClCC1=CSC(Br)=N1 AM100904 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.1 ClCC1=CSC(Cl)=N1 AMY9283 [0,1,0,0,0,0|3,0,0]=4 266 B8R1.1 ClCC1=NC(Br)=CS1 AMY30354 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.1 ClCC1=NC=C(Cl)S1 AMY42386 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.1 N#CC1=CC(Br)=CS1 AMY4783 [0,1,0,0,0,0|1,0,1]=3 269 B8R1.1 N#CC1=CC=C(Br)O1 AMY27094 [0,1,0,0,0,0|1,1,1]=4 270 B8R1.1 N#CC1=CC=C(Br)S1 AM20090196 [0,1,0,0,0,0|1,0,1]=3 271 B8R1.1 N#CC1=CN=C(Br)S1 AM803914 [0,1,0,0,0,0|2,0,1]=4 272 B8R1.1 N#CC1=CN=C(Cl)S1 AM20100263 [0,1,0,0,0,0|2,0,1]=4 273 B8R1.1 N#CC1=CN=C(N)S1 AM20100264 [0,1,0,0,0,0|2,0,1]=4 274 B8R1.1 N#CC1=NC(Br)=CS1 AMY17738 [0,1,0,0,0,0|2,0,1]=4 275 B8R1.1 NC1=CC(CO)=NN1 AMY9111 [0,1,0,0,0,0|2,0,0]=3 276 B8R1.1 NC1=NC(CCl)=CS1 AM20100455 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.1 NC1=NC(CO)=CS1 AMY1930 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.1 NC1=NC=C(C=O)S1 AM20070642 [0,1,0,0,0,0|1,0,2]=4 279 B8R1.1 NC1=NC=C(CO)S1 AMY27022 [0,1,0,0,0,0|1,0,0]=2 280 B8R1.1 NCC1=CC(Br)=CS1 AMY27187 [0,1,0,0,0,0|1,0,0]=2 281 B8R1.1 NCC1=CC(Br)=CS1 AMY27763 [0,1,0,0,0,0|1,0,0]=2 282 B8R1.1 NCC1=CC=C(Br)S1 AMY4598 [0,1,0,0,0,0|1,0,0]=2 283 B8R1.1 NCC1=CC=C(Cl)S1 AMY4935 [0,1,0,0,0,0|1,0,0]=2 284 B8R1.1 NCC1=CN=C(Cl)S1 AM20080153 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.1 NCC1=CN=C(Cl)S1 AMY22916 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.1 NCC1=CSC(Br)=N1 AM101646 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.1 NCC1=CSC(N)=N1 AM100468 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.1 NCC1=CSC(S)=N1 AM98820 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.1 NCC1=NC(Br)=CS1 AMY23627 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.1 NCC1=NC(Br)=CS1 AMY23696 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.1 NCC1=NC=C(Br)S1 AMY33910 [0,1,0,0,0,0|2,0,0]=3 292 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 AMY33458 [0,1,0,0,0,0|1,0,2]=4 293 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AMY14944 [0,1,0,0,0,0|1,0,2]=4 294 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.1 O=C1C=C[C@@H](CO)O1 AMY42490 [0,1,0,0,0,0|0,1,1]=3 296 B8R1.1 O=CC1=CC(Br)=CN1 AMY19096 [0,1,0,0,0,0|1,0,2]=4 297 B8R1.1 O=CC1=CC(Br)=CS1 AMY23272 [0,1,0,0,0,0|0,0,2]=3 298 B8R1.1 O=CC1=CC(I)=CN1 AMY19170 [0,1,0,0,0,0|1,0,2]=4 299 B8R1.1 O=CC1=CC=C(Br)N1 AMY29098 [0,1,0,0,0,0|1,0,2]=4 300 B8R1.1 O=CC1=CC=C(Br)O1 AM20090109 [0,1,0,0,0,0|0,1,2]=4 301 B8R1.1 O=CC1=CC=C(Br)S1 AM20100185 [0,1,0,0,0,0|0,0,2]=3 302 B8R1.1 O=CC1=CC=C(Cl)S1 AMY23290 [0,1,0,0,0,0|0,0,2]=3 303 B8R1.1 O=CC1=CN=C(Br)S1 AM20100183 [0,1,0,0,0,0|1,0,2]=4 304 B8R1.1 O=CC1=CN=C(Cl)S1 AM804606 [0,1,0,0,0,0|1,0,2]=4 305 B8R1.1 O=CC1=NC(Br)=CS1 AM84573 [0,1,0,0,0,0|1,0,2]=4 306 B8R1.1 O=CC1=NC=C(Br)S1 AMY33908 [0,1,0,0,0,0|1,0,2]=4 307 B8R1.1 O=CC1=NC=C(Cl)S1 AM804099 [0,1,0,0,0,0|1,0,2]=4 308 B8R1.1 OCC1=CC(Br)=CS1 AMY4597 [0,1,0,0,0,0|0,0,0]=1 309 B8R1.1 OCC1=CC(Br)=NO1 AM20090315 [0,1,0,0,0,0|1,1,0]=3 310 B8R1.1 OCC1=CC=C(F)S1 AMY23548 [0,1,0,0,0,0|0,0,0]=1 311 B8R1.1 OCC1=CN=C(Br)S1 AM20100637 [0,1,0,0,0,0|1,0,0]=2 312 B8R1.1 OCC1=CN=C(Cl)S1 AMY32107 [0,1,0,0,0,0|1,0,0]=2 313 B8R1.1 OCC1=CSC(Br)=N1 AM20100279 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.1 OCC1=CSC(S)=N1 AM100435 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.1 OCC1=NC(Br)=CS1 AM803481 [0,1,0,0,0,0|1,0,0]=2 316 B8R1.1 OCC1=NC(I)=CN1 AMY14960 [0,1,0,0,0,0|2,0,0]=3 317 B8R1.1 OCC1=NC=C(Br)O1 AMY27833 [0,1,0,0,0,0|1,1,0]=3 318 B8R1.1 OCC1=NC=C(Br)S1 AMY33911 [0,1,0,0,0,0|1,0,0]=2 319 B8R1.1 OCC1=NC=C(I)N1 AM807542 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.1 OCC1=NN=C(Cl)S1 AM20120316 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.1 SC1=NC(CCl)=CS1 AM98704 [0,1,0,0,0,0|3,0,0]=4 322 B8R1.1 SCC1=CSC(Br)=N1 AM98579 [0,1,0,0,0,0|2,1,0]=4 323 B8R1.1 SCC1=CSC(S)=N1 AM99256 [0,1,0,0,0,0|2,1,0]=4 324 B8R1.7 CC(=O)C1=CC=CN1 AM90575 [0,1,0,0,0,0|1,0,2]=4 325 B8R1.7 CC(=O)C1=CC=CO1 AM91073 [0,1,0,0,0,0|0,1,2]=4 326 B8R1.7 CC(=O)C1=CC=CS1 AM82005 [0,1,0,0,0,0|0,0,2]=3 327 B8R1.7 CC(=O)C1=CN=CS1 AM20120324 [0,1,0,0,0,0|1,0,2]=4 328 B8R1.7 CC(=O)C1=NC=CS1 AM20090269 [0,1,0,0,0,0|1,0,2]=4 329 B8R1.7 CC(C)C1=CC=CO1 AMY39189 [0,1,0,0,0,0|1,1,0]=3 330 B8R1.7 CC(C)C1=NC=CN1 AM20090593 [0,1,0,0,0,0|3,0,0]=4 331 B8R1.7 CC(C)C1=NNC=C1 AMY4738 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.7 CC(C)N1C=CC=N1 AM80873 [0,1,0,0,0,0|3,0,0]=4 333 B8R1.7 CN(C)C1=NC=CS1 AM87096 [0,1,0,0,0,0|3,0,0]=4 334 B8R1.7 C[C@@H](N)C1=NNC=C1 AM807022 [0,1,0,0,0,0|3,0,0]=4 335 B8R1.7 C[C@H](Br)C1=NC=CS1 AM92932 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.7 C[C@H](Cl)C1=CC=CN1 AM91548 [0,1,0,0,0,0|2,0,0]=3 337 B8R1.7 C[C@H](Cl)C1=CC=CO1 AM100959 [0,1,0,0,0,0|1,1,0]=3 338 B8R1.7 C[C@H](Cl)C1=CC=CS1 AM100622 [0,1,0,0,0,0|1,0,0]=2 339 B8R1.7 C[C@H](Cl)C1=NC=CS1 AM100800 [0,1,0,0,0,0|2,0,0]=3 340 B8R1.7 C[C@H](N)C1=CC=CS1 AM804160 [0,1,0,0,0,0|1,0,0]=2 341 B8R1.7 C[C@H](N)C1=CN=CS1 AM806482 [0,1,0,0,0,0|2,0,0]=3 342 B8R1.7 C[C@H](N)C1=NC=CN1 AM802963 [0,1,0,0,0,0|3,0,0]=4 343 B8R1.7 C[C@H](N)C1=NC=CS1 AM100817 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.7 C[C@H](N)C1=NC=CS1 AM10444 [0,1,0,0,0,0|2,0,0]=3 345 B8R1.7 C[C@H](N)C1=NC=CS1 AM20120556 [0,1,0,0,0,0|2,0,0]=3 346 B8R1.7 C[C@H](N)C1=NC=CS1 AM20120557 [0,1,0,0,0,0|2,0,0]=3 347 B8R1.7 C[C@H](N)C1=NNC=C1 AM807021 [0,1,0,0,0,0|3,0,0]=4 348 B8R1.7 C[C@H](O)C1=CC=CN1 AM100960 [0,1,0,0,0,0|1,0,0]=2 349 B8R1.7 C[C@H](O)C1=CC=CO1 AM100808 [0,1,0,0,0,0|0,1,0]=2 350 B8R1.7 C[C@H](O)C1=CC=CS1 AM804356 [0,1,0,0,0,0|0,0,0]=1 351 B8R1.7 C[C@H](O)C1=CNC=N1 AM806534 [0,1,0,0,0,0|2,0,0]=3 352 B8R1.7 C[C@H](O)C1=NC=CS1 AM100799 [0,1,0,0,0,0|1,0,0]=2 353 B8R1.7 N=C(N)C1=CC=CN1 AMY19161 [0,1,0,0,0,0|2,0,1]=4 354 B8R1.7 N=C(N)C1=CC=CS1 AMY24706 [0,1,0,0,0,0|1,0,1]=3 355 B8R1.7 N=C(N)C1=NC=CS1 AM9956 [0,1,0,0,0,0|2,0,1]=4 356 B8R1.7 NC(=O)C1=CC=CN1 AMY29101 [0,1,0,0,0,0|1,0,2]=4 357 B8R1.7 NC(=O)C1=CC=CO1 AMY19477 [0,1,0,0,0,0|0,1,2]=4 358 B8R1.7 NC(=O)C1=NC=CS1 AMY31380 [0,1,0,0,0,0|1,0,2]=4 359 B8R1.7 O=C(O)C1=CC=CN1 AM20100569 [0,1,0,0,0,0|1,0,1]=3 360 B8R1.7 O=C(O)C1=CC=CS1 AM20100294 [0,1,0,0,0,0|0,0,1]=2 361 B8R1.7 O=C(O)C1=CC=NN1 AM804418 [0,1,0,0,0,0|2,0,1]=4 362 B8R1.7 O=C(O)C1=CC=NO1 AM20090179 [0,1,0,0,0,0|1,1,1]=4 363 B8R1.7 O=C(O)C1=CC=NS1 AMY23598 [0,1,0,0,0,0|1,0,1]=3 364 B8R1.7 O=C(O)C1=CN=CO1 AM10000 [0,1,0,0,0,0|1,1,1]=4 365 B8R1.7 O=C(O)C1=CN=CS1 AM20080343 [0,1,0,0,0,0|1,0,1]=3 366 B8R1.7 O=C(O)C1=CNC=C1 AM20120340 [0,1,0,0,0,0|2,0,1]=4 367 B8R1.7 O=C(O)C1=CNC=N1 AM20080027 [0,1,0,0,0,0|2,0,1]=4 368 B8R1.7 O=C(O)C1=COC=C1 AM20100204 [0,1,0,0,0,0|2,0,1]=4 369 B8R1.7 O=C(O)C1=COC=N1 AM20090239 [0,1,0,0,0,0|2,0,1]=4 370 B8R1.7 O=C(O)C1=CSC=C1 AM20110264 [0,1,0,0,0,0|2,0,1]=4 371 B8R1.7 O=C(O)C1=CSC=N1 AM20100047 [0,1,0,0,0,0|2,0,1]=4 372 B8R1.7 O=C(O)C1=NC=CN1 AM20080434 [0,1,0,0,0,0|2,0,1]=4 373 B8R1.7 O=C(O)C1=NC=CO1 AM20100620 [0,1,0,0,0,0|1,1,1]=4 374 B8R1.7 O=C(O)C1=NC=CS1 AM20080317 [0,1,0,0,0,0|1,0,1]=3 375 B8R1.7 O=C(O)C1=NN=CS1 AM20100222 [0,1,0,0,0,0|2,0,1]=4 376 B8R1.7 O=C(O)C1=NNC=C1 AM20080446 [0,1,0,0,0,0|2,0,1]=4 377 B8R1.7 O=C(O)C1=NOC=C1 AM20090462 [0,1,0,0,0,0|2,0,1]=4 378 B8R1.7 O=C(O)C1=NSC=C1 AM20100170 [0,1,0,0,0,0|2,0,1]=4 379 B8R1.7 O=C(O)N1C=CC=C1 AMY31717 [0,1,0,0,0,0|2,0,1]=4 380 B8R1.7 O=[N+]([O-])C1=CC=CN1 AMY14154 [0,1,0,0,0,0|2,0,1]=4 381 B8R1.7 O=[N+]([O-])C1=CC=CO1 AM20100483 [0,1,0,0,0,0|1,1,1]=4 382 B8R1.7 O=[N+]([O-])C1=CC=CS1 AM20100484 [0,1,0,0,0,0|1,0,1]=3 383 B8R1.7 OB(O)C1=CC=CO1 AM20080239 [0,1,0,0,0,0|1,1,0]=3 384 B8R1.7 OB(O)C1=CC=CS1 AM804138 [0,1,0,0,0,0|1,0,0]=2 385 B8R1.7 OB(O)C1=COC=C1 AM20100363 [0,1,0,0,0,0|3,0,0]=4 386 B8R1.7 OB(O)C1=CSC=C1 AM20100505 [0,1,0,0,0,0|3,0,0]=4 387 B8R1.7 OB(O)C1=CSC=N1 AM90248 [0,1,0,0,0,0|3,0,0]=4 388 B8R1.7 OB(O)C1=NC=CN1 AM20080164 [0,1,0,0,0,0|3,0,0]=4 389 B8R1.7 OB(O)C1=NC=CN1 AM85375 [0,1,0,0,0,0|3,0,0]=4 390 B8R1.7 OB(O)C1=NC=CS1 AMY394 [0,1,0,0,0,0|2,0,0]=3 391 B8R1.7 OB(O)C1=NNC=C1 AM803810 [0,1,0,0,0,0|3,0,0]=4 392 B8R1.7 OB(O)C1=NNC=C1 AMY32786 [0,1,0,0,0,0|3,0,0]=4 393 B8R1.8 BrCCC1=CSC=C1 AMY15756 [0,1,0,0,0,0|3,0,0]=4 394 B8R1.8 BrCCN1C=CC=N1 AM803023 [0,1,0,0,0,0|3,0,0]=4 395 B8R1.8 CCCC1=NC=CN1 AM20100251 [0,1,0,0,0,0|3,0,0]=4 396 B8R1.8 CCCC1=NNC=C1 AMY6454 [0,1,0,0,0,0|3,0,0]=4 397 B8R1.8 CCOC1=NNC=C1 AMY5033 [0,1,0,0,0,0|3,0,0]=4 398 B8R1.8 CNCC1=CC=CS1 AM20100421 [0,1,0,0,0,0|1,0,0]=2 399 B8R1.8 CNCC1=CN=CS1 AM10485 [0,1,0,0,0,0|2,0,0]=3 400 B8R1.8 CNCC1=CN=CS1 AM803037 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.8 CNCC1=CSC=C1 AMY37336 [0,1,0,0,0,0|3,0,0]=4 402 B8R1.8 CNCC1=NC=CN1 AM803938 [0,1,0,0,0,0|3,0,0]=4 403 B8R1.8 COCN1C=CN=C1 AMY20716 [0,1,0,0,0,0|3,0,0]=4 404 B8R1.8 ClCCN1C=CC=N1 AMY31376 [0,1,0,0,0,0|3,0,0]=4 405 B8R1.8 N#CCC1=CC=CO1 AMY31197 [0,1,0,0,0,0|1,1,0]=3 406 B8R1.8 N#CCC1=CC=CS1 AMY23238 [0,1,0,0,0,0|1,0,0]=2 407 B8R1.8 N#CCC1=CN=CN1 AMY18302 [0,1,0,0,0,0|3,0,0]=4 408 B8R1.8 N#CCC1=CSC=C1 AMY21841 [0,1,0,0,0,0|3,0,0]=4 409 B8R1.8 NCCC1=CC=CN1 AMY32066 [0,1,0,0,0,0|2,0,0]=3 410 B8R1.8 NCCC1=CC=CO1 AM20080071 [0,1,0,0,0,0|1,1,0]=3 411 B8R1.8 NCCC1=CC=CS1 AM803664 [0,1,0,0,0,0|1,0,0]=2 412 B8R1.8 NCCC1=CN=CN1 AMY33457 [0,1,0,0,0,0|3,0,0]=4 413 B8R1.8 NCCC1=CNC=N1 AM20100377 [0,1,0,0,0,0|3,0,0]=4 414 B8R1.8 NCCC1=CSC=C1 AMY34288 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.8 NCCN1C=CC=N1 AMY202100003 [0,1,0,0,0,0|3,0,0]=4 416 B8R1.8 OCCC1=CC=CS1 AM82007 [0,1,0,0,0,0|0,0,0]=1 417 B8R1.8 OCCC1=CNC=N1 AMY18268 [0,1,0,0,0,0|2,0,0]=3 418 B8R1.8 OCCC1=CNN=C1 AM20090062 [0,1,0,0,0,0|3,0,0]=4 419 B8R1.8 OCCC1=CSC=C1 AM61323 [0,1,0,0,0,0|2,0,0]=3 420 B8R1.8 OCCC1=NNC=C1 AMY23474 [0,1,0,0,0,0|2,0,0]=3 421 B8R1.8 OCCN1C=CC=N1 AMY20089 [0,1,0,0,0,0|2,0,0]=3 422 B8R1.8 OCCN1C=CN=C1 AM20080441 [0,1,0,0,0,0|3,0,0]=4 423 B8R1.8 OCCN1C=CN=N1 AMY31719 [0,1,0,0,0,0|3,0,0]=4 424 B8R1.8 O\N=C\C1=CC=CN1 AM806542 [0,1,0,0,0,0|1,0,1]=3 425 B8R1.11 BrCC1=C(Br)SC=C1 AMY42046 [0,1,0,0,0,0|3,0,0]=4 426 B8R1.11 CC1=C(C#N)SC=C1 AMY7323 [0,1,0,0,0,0|1,0,1]=3 427 B8R1.11 CC1=C(C=O)NC=C1 AMY14159 [0,1,0,0,0,0|1,0,2]=4 428 B8R1.11 CC1=C(C=O)SC=C1 AM20100422 [0,1,0,0,0,0|0,0,2]=3 429 B8R1.11 CC1=C(C=O)SC=N1 AM20100799 [0,1,0,0,0,0|1,0,2]=4 430 B8R1.11 CC1=C(CBr)OC=N1 AM101188 [0,1,0,0,0,0|2,1,0]=4 431 B8R1.11 CC1=C(CBr)SC=C1 AM100282 [0,1,0,0,0,0|1,0,0]=2 432 B8R1.11 CC1=C(CCl)OC=N1 AM100833 [0,1,0,0,0,0|2,1,0]=4 433 B8R1.11 CC1=C(CI)OC=N1 AM99832 [0,1,0,0,0,0|2,1,0]=4 434 B8R1.11 CC1=C(CN)SC=C1 AM802867 [0,1,0,0,0,0|1,0,0]=2 435 B8R1.11 CC1=C(CN)SC=N1 AM804424 [0,1,0,0,0,0|2,0,0]=3 436 B8R1.11 CC1=C(CO)C=CO1 AMY41934 [0,1,0,0,0,0|2,0,0]=3 437 B8R1.11 CC1=C(CO)C=NO1 AM806531 [0,1,0,0,0,0|3,0,0]=4 438 B8R1.11 CC1=C(CO)N=CN1 AM20100024 [0,1,0,0,0,0|2,0,0]=3 439 B8R1.11 CC1=C(CO)N=CN1 AM803651 [0,1,0,0,0,0|2,0,0]=3 440 B8R1.11 CC1=C(CO)OC=N1 AM20100164 [0,1,0,0,0,0|1,1,0]=3 441 B8R1.11 CC1=C(CO)SC=C1 AM804179 [0,1,0,0,0,0|0,0,0]=1 442 B8R1.11 CC1=C(CS)OC=N1 AM99259 [0,1,0,0,0,0|1,2,0]=4 443 B8R1.11 CCC1=C(C)N=CS1 AMY18970 [0,1,0,0,0,0|2,0,0]=3 444 B8R1.11 CCC1=CC=CN1N AMY31540 [0,1,0,0,0,0|2,0,0]=3 445 B8R1.11 CCC1=NNC=C1I AMY11919 [0,1,0,0,0,0|3,0,0]=4 446 B8R1.11 CCN1N=CC=C1Br AMY11956 [0,1,0,0,0,0|3,0,0]=4 447 B8R1.11 CCN1N=CC=C1N AMY3954 [0,1,0,0,0,0|3,0,0]=4 448 B8R1.11 CCN1N=CC=C1O AMY32875 [0,1,0,0,0,0|3,0,0]=4 449 B8R1.11 CN1C=CC=C1C#N AM803752 [0,1,0,0,0,0|2,0,1]=4 450 B8R1.11 CN1C=CC=C1C=O AMY19098 [0,1,0,0,0,0|1,0,2]=4 451 B8R1.11 CN1C=CC=C1CBr AM91469 [0,1,0,0,0,0|2,0,0]=3 452 B8R1.11 CN1C=CC=C1CCl AM91470 [0,1,0,0,0,0|2,0,0]=3 453 B8R1.11 CN1C=CC=C1CI AM98715 [0,1,0,0,0,0|2,0,0]=3 454 B8R1.11 CN1C=CC=C1CO AM100905 [0,1,0,0,0,0|1,0,0]=2 455 B8R1.11 CN1C=CC=C1CS AM101003 [0,1,0,0,0,0|1,1,0]=3 456 B8R1.11 CN1C=CN=C1CBr AM91864 [0,1,0,0,0,0|3,0,0]=4 457 B8R1.11 CN1C=CN=C1CCl AM100451 [0,1,0,0,0,0|3,0,0]=4 458 B8R1.11 CN1C=CN=C1CCl AMY12144 [0,1,0,0,0,0|3,0,0]=4 459 B8R1.11 CN1C=CN=C1CI AM91927 [0,1,0,0,0,0|3,0,0]=4 460 B8R1.11 CN1C=CN=C1CN AM803071 [0,1,0,0,0,0|3,0,0]=4 461 B8R1.11 CN1C=CN=C1CO AMY11863 [0,1,0,0,0,0|2,0,0]=3 462 B8R1.11 CN1C=CN=C1CS AM101616 [0,1,0,0,0,0|2,1,0]=4 463 B8R1.11 CN1C=NC=C1CN AM803945 [0,1,0,0,0,0|3,0,0]=4 464 B8R1.11 CN1C=NC=C1CO AM803827 [0,1,0,0,0,0|2,0,0]=3 465 B8R1.11 CN1C=NN=C1CO AMY10811 [0,1,0,0,0,0|3,0,0]=4 466 B8R1.11 CN1N=CC=C1CCl AMY15760 [0,1,0,0,0,0|3,0,0]=4 467 B8R1.11 CN1N=CC=C1CCl AMY33018 [0,1,0,0,0,0|3,0,0]=4 468 B8R1.11 CN1N=CC=C1CN AM804432 [0,1,0,0,0,0|3,0,0]=4 469 B8R1.11 CN1N=CC=C1CO AM80874 [0,1,0,0,0,0|2,0,0]=3 470 B8R1.11 CN1N=CN=C1CO AM20080534 [0,1,0,0,0,0|3,0,0]=4 471 B8R1.11 ClC1=C(CBr)C=CS1 AMY21844 [0,1,0,0,0,0|3,0,0]=4 472 B8R1.11 N#CC1=C(Br)C=CS1 AMY22931 [0,1,0,0,0,0|1,0,1]=3 473 B8R1.11 N#CC1=CC=CN1N AM84524 [0,1,0,0,0,0|2,0,1]=4 474 B8R1.11 N#CC1=CC=CN1N AMY39701 [0,1,0,0,0,0|2,0,1]=4 475 B8R1.11 NCC1=C(Cl)C=CS1 AMY23930 [0,1,0,0,0,0|1,0,0]=2 476 B8R1.11 O=C1CCC=C1CO AMY2077 [0,1,0,0,0,0|1,0,2]=4 477 B8R1.11 O=CC1=C(Br)C=CO1 AMY20256 [0,1,0,0,0,0|0,1,2]=4 478 B8R1.11 O=CC1=C(Br)C=CS1 AM20120339 [0,1,0,0,0,0|0,0,2]=3 479 B8R1.11 O=CC1=C(Cl)C=CS1 AMY10893 [0,1,0,0,0,0|0,0,2]=3 480 B8R1.11 O=CC1=C(Cl)N=CS1 AMY20345 [0,1,0,0,0,0|1,0,2]=4 481 B8R1.11 OCC1=C(Br)C=CS1 AMY34404 [0,1,0,0,0,0|0,0,0]=1 482 B8R1.11 OCC1=C(Br)SC=C1 AMY7269 [0,1,0,0,0,0|2,0,0]=3 483 B6R0.6 C=CCCCCO AM20100796 [0,0,1,0,0,0|1,0,2]=4 484 B6R0.6 C\C=C\CCCO AMY2616 [0,0,1,0,0,0|1,0,2]=4 485 B6R0.9 C=C[C@@H](CC)CO AMY36984 [0,0,1,0,0,0|1,0,2]=4 486 B8R1.2 BrCC1=CC=CC=C1 AMY21948 [0,0,0,0,0,1|2,0,0]=3 487 B8R1.2 BrCC1=CC=NC=C1 AM20070152 [0,0,0,0,0,1|2,0,0]=3 488 B8R1.2 BrCC1=CN=CC=C1 AM20061249 [0,0,0,0,0,1|2,0,0]=3 489 B8R1.2 BrCC1=CN=CC=C1 AM81296 [0,0,0,0,0,1|2,0,0]=3 490 B8R1.2 BrCC1=NC=CC=C1 AM20051057 [0,0,0,0,0,1|2,0,0]=3 491 B8R1.2 BrCC1=NC=CC=C1 AM81295 [0,0,0,0,0,1|2,0,0]=3 492 B8R1.2 BrCC1=NC=CN=C1 AM101005 [0,0,0,0,0,1|2,0,0]=3 493 B8R1.2 C#CC1=CC=CC=C1 AMY4006 [0,0,0,0,0,1|2,0,1]=4 494 B8R1.2 C#CC1=CC=CN=C1 AM84834 [0,0,0,0,0,1|2,0,1]=4 495 B8R1.2 C#CC1=CC=NC=C1 AM20070134 [0,0,0,0,0,1|2,0,1]=4 496 B8R1.2 C#CC1=CC=NC=C1 AMY10268 [0,0,0,0,0,1|2,0,1]=4 497 B8R1.2 C#CC1=NC=CC=C1 AM20061684 [0,0,0,0,0,1|2,0,1]=4 498 B8R1.2 C#CC1=NC=CC=N1 AMY22984 [0,0,0,0,0,1|2,0,1]=4 499 B8R1.2 C#CC1=NC=CN=C1 AMY13925 [0,0,0,0,0,1|2,0,1]=4 500 B8R1.2 C=CC1=CC=CN=C1 AM802935 [0,0,0,0,0,1|2,0,1]=4 501 B8R1.2 C=CC1=NC=CC=C1 AM20090687 [0,0,0,0,0,1|2,0,1]=4 502 B8R1.2 CCC1=CC=CC=C1 AMY11052 [0,0,0,0,0,1|2,0,0]=3 503 B8R1.2 CCC1=CC=CN=C1 AM81306 [0,0,0,0,0,1|2,0,0]=3 504 B8R1.2 CCC1=NC=CN=C1 AM20070410 [0,0,0,0,0,1|2,0,0]=3 505 B8R1.2 CNC1=CC=CC=C1 AM10675 [0,0,0,0,0,1|3,0,0]=4 506 B8R1.2 CNC1=CC=CN=C1 AM803406 [0,0,0,0,0,1|3,0,0]=4 507 B8R1.2 CNC1=CC=NC=C1 AM85482 [0,0,0,0,0,1|3,0,0]=4 508 B8R1.2 CNC1=NC=CC=C1 AMY25681 [0,0,0,0,0,1|3,0,0]=4 509 B8R1.2 CNC1=NC=CC=N1 AM101628 [0,0,0,0,0,1|3,0,0]=4 510 B8R1.2 CNC1=NC=CN=C1 AM803689 [0,0,0,0,0,1|3,0,0]=4 511 B8R1.2 CNC1=NC=NC=C1 AM803548 [0,0,0,0,0,1|3,0,0]=4 512 B8R1.2 COC1=CC=CC=C1 AMY38503 [0,0,0,0,0,1|3,0,0]=4 513 B8R1.2 COC1=CC=NC=C1 AM20061381 [0,0,0,0,0,1|3,0,0]=4 514 B8R1.2 COC1=CN=CC=C1 AM20061683 [0,0,0,0,0,1|3,0,0]=4 515 B8R1.2 COC1=NC=CC=C1 AM20050859 [0,0,0,0,0,1|3,0,0]=4 516 B8R1.2 COC1=NC=CN=C1 AM20070422 [0,0,0,0,0,1|3,0,0]=4 517 B8R1.2 CSC1=NC=CN=C1 AM84779 [0,0,0,0,0,1|3,0,0]=4 518 B8R1.2 ClCC1=CC=NC=C1 AM100416 [0,0,0,0,0,1|2,0,0]=3 519 B8R1.2 ClCC1=CC=NC=C1 AM81299 [0,0,0,0,0,1|2,0,0]=3 520 B8R1.2 ClCC1=CN=CC=C1 AM101155 [0,0,0,0,0,1|2,0,0]=3 521 B8R1.2 ClCC1=CN=CC=C1 AM81298 [0,0,0,0,0,1|2,0,0]=3 522 B8R1.2 ClCC1=CN=CN=C1 AM20070663 [0,0,0,0,0,1|3,0,0]=4 523 B8R1.2 ClCC1=NC=CC=C1 AM20070046 [0,0,0,0,0,1|2,0,0]=3 524 B8R1.2 ClCC1=NC=CC=C1 AM81297 [0,0,0,0,0,1|2,0,0]=3 525 B8R1.2 ClCC1=NC=CC=N1 AM20100337 [0,0,0,0,0,1|2,0,0]=3 526 B8R1.2 ClCC1=NC=CC=N1 AM20120357 [0,0,0,0,0,1|2,0,0]=3 527 B8R1.2 ClCC1=NC=CN=C1 AM100497 [0,0,0,0,0,1|2,0,0]=3 528 B8R1.2 ClCC1=NC=CN=C1 AM100758 [0,0,0,0,0,1|2,0,0]=3 529 B8R1.2 ClCC1=NN=CC=C1 AM20100094 [0,0,0,0,0,1|2,0,0]=3 530 B8R1.2 Cl[Se]C1=CC=CC=C1 AMY18430 [0,0,0,0,0,1|3,0,0]=4 531 B8R1.2 FCC1=CC=NC=C1 AMY16182 [0,0,0,0,0,1|2,0,0]=3 532 B8R1.2 N#CC1=CC=CC=C1 AM10697 [0,0,0,0,0,1|2,0,1]=4 533 B8R1.2 N#CC1=CC=CC=C1 AMY11856 [0,0,0,0,0,1|2,0,1]=4 534 B8R1.2 N#CC1=CC=NC=C1 AM81279 [0,0,0,0,0,1|2,0,1]=4 535 B8R1.2 N#CC1=CN=CC=C1 AM81277 [0,0,0,0,0,1|2,0,1]=4 536 B8R1.2 N#CC1=NC=CC=C1 AM81275 [0,0,0,0,0,1|2,0,1]=4 537 B8R1.2 N#CC1=NC=CC=N1 AM20080306 [0,0,0,0,0,1|2,0,1]=4 538 B8R1.2 N#CC1=NC=CN=C1 AM81383 [0,0,0,0,0,1|2,0,1]=4 539 B8R1.2 N#CC1=NC=NC=C1 AMY15801 [0,0,0,0,0,1|2,0,1]=4 540 B8R1.2 N#CC1=NN=CC=C1 AM20100324 [0,0,0,0,0,1|2,0,1]=4 541 B8R1.2 NCC1=CC=CN=C1 AM101339 [0,0,0,0,0,1|2,0,0]=3 542 B8R1.2 NCC1=CC=CN=C1 AM20061720 [0,0,0,0,0,1|2,0,0]=3 543 B8R1.2 NCC1=CC=CN=N1 AM20120345 [0,0,0,0,0,1|2,0,0]=3 544 B8R1.2 NCC1=CC=CN=N1 AMY35405 [0,0,0,0,0,1|2,0,0]=3 545 B8R1.2 NCC1=CC=NC=C1 AM101076 [0,0,0,0,0,1|2,0,0]=3 546 B8R1.2 NCC1=CC=NC=C1 AM803800 [0,0,0,0,0,1|2,0,0]=3 547 B8R1.2 NCC1=CN=CN=C1 AM20090300 [0,0,0,0,0,1|3,0,0]=4 548 B8R1.2 NCC1=CN=CN=C1 AMY34466 [0,0,0,0,0,1|3,0,0]=4 549 B8R1.2 NCC1=CN=NC=C1 AM20100273 [0,0,0,0,0,1|3,0,0]=4 550 B8R1.2 NCC1=CN=NC=C1 AMY33803 [0,0,0,0,0,1|3,0,0]=4 551 B8R1.2 NCC1=NC=CC=C1 AM101338 [0,0,0,0,0,1|2,0,0]=3 552 B8R1.2 NCC1=NC=CC=C1 AM803799 [0,0,0,0,0,1|2,0,0]=3 553 B8R1.2 NCC1=NC=CC=N1 AM20100741 [0,0,0,0,0,1|2,0,0]=3 554 B8R1.2 NCC1=NC=CC=N1 AM91231 [0,0,0,0,0,1|2,0,0]=3 555 B8R1.2 NCC1=NC=CC=N1 AMY10885 [0,0,0,0,0,1|2,0,0]=3 556 B8R1.2 NCC1=NC=CN=C1 AM20070322 [0,0,0,0,0,1|2,0,0]=3 557 B8R1.2 NCC1=NC=NC=C1 AMY15802 [0,0,0,0,0,1|2,0,0]=3 558 B8R1.2 NCC1=NC=NC=C1 AMY33804 [0,0,0,0,0,1|2,0,0]=3 559 B8R1.2 NNC1=CC=CC=C1 AMY22286 [0,0,0,0,0,1|3,0,0]=4 560 B8R1.2 NNC1=CC=CC=C1 AMY22287 [0,0,0,0,0,1|3,0,0]=4 561 B8R1.2 NNC1=CC=CN=C1 AM20061750 [0,0,0,0,0,1|3,0,0]=4 562 B8R1.2 NNC1=CC=CN=C1 AM9980 [0,0,0,0,0,1|3,0,0]=4 563 B8R1.2 NNC1=CC=CN=N1 AMY24923 [0,0,0,0,0,1|3,0,0]=4 564 B8R1.2 NNC1=CC=NC=C1 AM20070158 [0,0,0,0,0,1|3,0,0]=4 565 B8R1.2 NNC1=CC=NC=C1 AMY11940 [0,0,0,0,0,1|3,0,0]=4 566 B8R1.2 NNC1=NC=CC=C1 AM20061254 [0,0,0,0,0,1|3,0,0]=4 567 B8R1.2 NNC1=NC=CC=N1 AM804320 [0,0,0,0,0,1|3,0,0]=4 568 B8R1.2 NNC1=NC=CN=C1 AMY11908 [0,0,0,0,0,1|3,0,0]=4 569 B8R1.2 O=CC1=CC=NC=C1 AM20061563 [0,0,0,0,0,1|1,0,2]=4 570 B8R1.2 O=CC1=CN=CC=C1 AM20061257 [0,0,0,0,0,1|1,0,2]=4 571 B8R1.2 O=CC1=NC=CC=C1 AM20050672 [0,0,0,0,0,1|1,0,2]=4 572 B8R1.2 O=CC1=NC=CC=N1 AM20090343 [0,0,0,0,0,1|1,0,2]=4 573 B8R1.2 O=CC1=NC=CN=C1 AM20070428 [0,0,0,0,0,1|1,0,2]=4 574 B8R1.2 O=CC1=NC=NC=C1 AM84826 [0,0,0,0,0,1|1,0,2]=4 575 B8R1.2 O=CC1=NN=CC=C1 AM20100469 [0,0,0,0,0,1|1,0,2]=4 576 B8R1.2 O=NC1=CC=CC=C1 AMY2440 [0,0,0,0,0,1|2,0,1]=4 577 B8R1.2 OCC1=CC=NC=C1 AM804088 [0,0,0,0,0,1|1,0,0]=2 578 B8R1.2 OCC1=CN=CC=C1 AM802808 [0,0,0,0,0,1|1,0,0]=2 579 B8R1.2 OCC1=CN=CN=C1 AM20090299 [0,0,0,0,0,1|2,0,0]=3 580 B8R1.2 OCC1=CN=NC=C1 AM20100249 [0,0,0,0,0,1|2,0,0]=3 581 B8R1.2 OCC1=NC=CC=C1 AM804089 [0,0,0,0,0,1|1,0,0]=2 582 B8R1.2 OCC1=NC=CC=N1 AM20100132 [0,0,0,0,0,1|1,0,0]=2 583 B8R1.2 OCC1=NC=CN=C1 AM20070379 [0,0,0,0,0,1|1,0,0]=2 584 B8R1.2 OCC1=NC=NC=C1 AM20090513 [0,0,0,0,0,1|1,0,0]=2 585 B8R1.2 OCC1=NN=CC=C1 AM20090601 [0,0,0,0,0,1|1,0,0]=2 586 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,0,0,0,0,1|0,1,2]=4 587 B8R1.2 ONC1=CC=CC=C1 AMY18021 [0,0,0,0,0,1|2,0,0]=3 588 B8R1.2 SCC1=CC=NC=C1 AM100417 [0,0,0,0,0,1|1,1,0]=3 589 B8R1.2 SCC1=CN=CC=C1 AM100385 [0,0,0,0,0,1|1,1,0]=3 590 B8R1.2 SCC1=NC=CC=C1 AM100483 [0,0,0,0,0,1|1,1,0]=3 591 B5R0.1 C=CCC(C)=O AMY31929 [1,0,1,0,0,0|0,1,1]=4 592 B5R0.1 CC(C)=CC=O AMY42093 [1,0,1,0,0,0|2,0,0]=4 593 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,1,0,0,0|0,1,1]=4 594 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,1,0,0,0|0,1,1]=4 595 B5R0.1 O=C(O)\C=C/I AMY22685 [1,0,1,0,0,0|1,1,0]=4 596 B5R0.1 O=C(O)\C=C\I AM806037 [1,0,1,0,0,0|1,1,0]=4 597 B5R0.2 C=CCCCO AMY41353 [1,0,1,0,0,0|0,0,2]=4 598 B5R0.2 OC\C=C\CCl AMY768 [1,0,1,0,0,0|1,0,1]=4 599 B5R0.3 C=C(CO)CO AM20090550 [1,0,1,0,0,0|1,0,1]=4 600 B5R0.3 C=CC(=O)CBr AMY31126 [1,0,1,0,0,0|1,1,0]=4 601 B5R0.3 C=CC(O)C=C AMY14244 [1,0,1,0,0,0|1,0,1]=4 602 B5R0.3 C=C[C@H](N)CO AMY14650 [1,0,1,0,0,0|1,0,1]=4 603 B5R1.1 C1=CNC=C1 AMY40221 [2,0,0,0,0,0|1,0,0]=3 604 B5R1.1 C1=CNC=N1 AM82000 [2,0,0,0,0,0|2,0,0]=4 605 B5R1.1 C1=CNC=N1 AMY40451 [2,0,0,0,0,0|2,0,0]=4 606 B5R1.1 C1=CNN=C1 AMY795 [2,0,0,0,0,0|2,0,0]=4 607 B5R1.1 C1=COC=N1 AM20090378 [2,0,0,0,0,0|1,1,0]=4 608 B5R1.1 C1=CON=C1 AM81392 [2,0,0,0,0,0|1,1,0]=4 609 B5R1.1 C1=CSC=N1 AMY5749 [2,0,0,0,0,0|1,0,0]=3 610 B5R1.1 C1=CSN=C1 AMY42108 [2,0,0,0,0,0|1,0,0]=3 611 B7R1.2 BrC1=CC=C(Br)O1 AM20090471 [1,1,0,0,0,0|1,1,0]=4 612 B7R1.2 BrC1=CC=C(Br)S1 AM20090448 [1,1,0,0,0,0|1,0,0]=3 613 B7R1.2 BrC1=CC=C(I)S1 AMY7271 [1,1,0,0,0,0|1,0,0]=3 614 B7R1.2 BrC1=CN=C(Br)S1 AM20100107 [1,1,0,0,0,0|2,0,0]=4 615 B7R1.2 BrC1=CN=C(I)S1 AMY1663 [1,1,0,0,0,0|2,0,0]=4 616 B7R1.2 BrC1=CSC(Br)=C1 AMY2556 [1,1,0,0,0,0|1,0,0]=3 617 B7R1.2 BrC1=CSC(Br)=N1 AM20100106 [1,1,0,0,0,0|2,0,0]=4 618 B7R1.2 CC1=CC(=O)NO1 AMY22453 [1,1,0,0,0,0|1,1,0]=4 619 B7R1.2 CC1=CC(Br)=CS1 AM20090389 [1,1,0,0,0,0|0,0,0]=2 620 B7R1.2 CC1=CC(Br)=NN1 AM804058 [1,1,0,0,0,0|2,0,0]=4 621 B7R1.2 CC1=CC(Br)=NO1 AM803594 [1,1,0,0,0,0|1,1,0]=4 622 B7R1.2 CC1=CC(C)=NN1 AMY40839 [1,1,0,0,0,0|2,0,0]=4 623 B7R1.2 CC1=CC(C)=NO1 AM20090405 [1,1,0,0,0,0|1,1,0]=4 624 B7R1.2 CC1=CC(Cl)=NN1 AM20080428 [1,1,0,0,0,0|2,0,0]=4 625 B7R1.2 CC1=CC(Cl)=NO1 AM806513 [1,1,0,0,0,0|1,1,0]=4 626 B7R1.2 CC1=CC(N)=NN1 AM803678 [1,1,0,0,0,0|2,0,0]=4 627 B7R1.2 CC1=CC(N)=NO1 AM20080024 [1,1,0,0,0,0|1,1,0]=4 628 B7R1.2 CC1=CC(N)=NS1 AMY42473 [1,1,0,0,0,0|1,0,0]=3 629 B7R1.2 CC1=CC=C(Br)O1 AM806617 [1,1,0,0,0,0|0,1,0]=3 630 B7R1.2 CC1=CC=C(Br)S1 AM20100755 [1,1,0,0,0,0|0,0,0]=2 631 B7R1.2 CC1=CC=C(C)O1 AM81813 [1,1,0,0,0,0|0,1,0]=3 632 B7R1.2 CC1=CC=C(Cl)S1 AMY31416 [1,1,0,0,0,0|0,0,0]=2 633 B7R1.2 CC1=CC=C(I)S1 AMY31922 [1,1,0,0,0,0|0,0,0]=2 634 B7R1.2 CC1=CN(C)C=N1 AM804171 [1,1,0,0,0,0|2,0,0]=4 635 B7R1.2 CC1=CN(C)N=C1 AMY25522 [1,1,0,0,0,0|2,0,0]=4 636 B7R1.2 CC1=CN=C(Br)S1 AM20100103 [1,1,0,0,0,0|1,0,0]=3 637 B7R1.2 CC1=CN=C(I)N1 AM805967 [1,1,0,0,0,0|2,0,0]=4 638 B7R1.2 CC1=CN=C(N)O1 AM803709 [1,1,0,0,0,0|1,1,0]=4 639 B7R1.2 CC1=CN=C(N)S1 AM20100697 [1,1,0,0,0,0|1,0,0]=3 640 B7R1.2 CC1=CNC(C)=C1 AMY3543 [1,1,0,0,0,0|1,0,0]=3 641 B7R1.2 CC1=CNC(C)=N1 AM20120338 [1,1,0,0,0,0|2,0,0]=4 642 B7R1.2 CC1=COC(Br)=N1 AMY23967 [1,1,0,0,0,0|2,0,0]=4 643 B7R1.2 CC1=COC(N)=N1 AM20090562 [1,1,0,0,0,0|2,0,0]=4 644 B7R1.2 CC1=CSC(Br)=N1 AM20100691 [1,1,0,0,0,0|2,0,0]=4 645 B7R1.2 CC1=CSC(C)=N1 AM20100334 [1,1,0,0,0,0|1,0,0]=3 646 B7R1.2 CC1=CSC(Cl)=N1 AM803610 [1,1,0,0,0,0|2,0,0]=4 647 B7R1.2 CC1=CSC(N)=C1 AM20080364 [1,1,0,0,0,0|1,0,0]=3 648 B7R1.2 CC1=CSC(N)=N1 AM20080431 [1,1,0,0,0,0|2,0,0]=4 649 B7R1.2 CC1=NC(Br)=CN1 AM803290 [1,1,0,0,0,0|2,0,0]=4 650 B7R1.2 CC1=NC(Br)=CS1 AMY34939 [1,1,0,0,0,0|1,0,0]=3 651 B7R1.2 CC1=NC(I)=CN1 AM807433 [1,1,0,0,0,0|2,0,0]=4 652 B7R1.2 CC1=NC=C(N)S1 AMY26047 [1,1,0,0,0,0|1,0,0]=3 653 B7R1.2 CC1=NN(C)C=C1 AM20100648 [1,1,0,0,0,0|2,0,0]=4 654 B7R1.2 CC1=NN=C(Br)S1 AM20100330 [1,1,0,0,0,0|2,0,0]=4 655 B7R1.2 CC1=NN=C(N)S1 AMY3777 [1,1,0,0,0,0|2,0,0]=4 656 B7R1.2 CC1=NNC(=S)S1 AM90361 [1,1,0,0,0,0|2,0,0]=4 657 B7R1.2 CC1=NNC(Br)=C1 AM804068 [1,1,0,0,0,0|2,0,0]=4 658 B7R1.2 CC1=NOC(N)=C1 AM803226 [1,1,0,0,0,0|2,0,0]=4 659 B7R1.2 CC1=NSC(N)=C1 AMY37728 [1,1,0,0,0,0|2,0,0]=4 660 B7R1.2 CC1=NSC(N)=C1 AMY37729 [1,1,0,0,0,0|2,0,0]=4 661 B7R1.2 CN1C=C(Br)C=N1 AM20080419 [1,1,0,0,0,0|2,0,0]=4 662 B7R1.2 CN1C=C(Cl)C=N1 AM20090567 [1,1,0,0,0,0|2,0,0]=4 663 B7R1.2 CN1C=C(I)C=N1 AM62770 [1,1,0,0,0,0|2,0,0]=4 664 B7R1.2 CN1C=C(N)C=N1 AM20100657 [1,1,0,0,0,0|2,0,0]=4 665 B7R1.2 CN1C=C(N)C=N1 AMY10788 [1,1,0,0,0,0|2,0,0]=4 666 B7R1.2 CN1C=C(O)C=N1 AMY1942 [1,1,0,0,0,0|2,0,0]=4 667 B7R1.2 CN1C=CC(=O)N1 AMY281 [1,1,0,0,0,0|2,0,0]=4 668 B7R1.2 CN1C=CC(Br)=N1 AM20080384 [1,1,0,0,0,0|2,0,0]=4 669 B7R1.2 CN1C=CC(Cl)=N1 AMY14367 [1,1,0,0,0,0|2,0,0]=4 670 B7R1.2 CN1C=CC(I)=N1 AMY3465 [1,1,0,0,0,0|2,0,0]=4 671 B7R1.2 CN1C=CC(N)=N1 AM20090111 [1,1,0,0,0,0|2,0,0]=4 672 B7R1.2 ClC1=CC=C(Cl)S1 AM82002 [1,1,0,0,0,0|1,0,0]=3 673 B7R1.2 ClC1=CN=C(Br)S1 AM86677 [1,1,0,0,0,0|2,0,0]=4 674 B7R1.2 ClC1=CSC(Br)=N1 AMY24049 [1,1,0,0,0,0|2,0,0]=4 675 B7R1.2 ClC1=CSC(Cl)=N1 AM20100105 [1,1,0,0,0,0|2,0,0]=4 676 B7R1.2 ClC1=NC(Br)=CS1 AMY5344 [1,1,0,0,0,0|2,0,0]=4 677 B7R1.2 FC1=CN=C(Br)S1 AMY42335 [1,1,0,0,0,0|2,0,0]=4 678 B7R1.2 NC1=CC(O)=NN1 AMY11951 [1,1,0,0,0,0|2,0,0]=4 679 B7R1.2 NC1=CN=C(Br)S1 AMY15989 [1,1,0,0,0,0|2,0,0]=4 680 B7R1.2 NC1=CSC(Br)=N1 AM803880 [1,1,0,0,0,0|2,0,0]=4 681 B7R1.2 NC1=NC(Br)=CS1 AM20100228 [1,1,0,0,0,0|2,0,0]=4 682 B7R1.2 NC1=NC=C(Br)S1 AM20100493 [1,1,0,0,0,0|2,0,0]=4 683 B7R1.2 NC1=NC=C(Br)S1 AM86844 [1,1,0,0,0,0|2,0,0]=4 684 B7R1.2 NC1=NC=C(Br)S1 AMY11964 [1,1,0,0,0,0|2,0,0]=4 685 B7R1.2 NC1=NC=C(Cl)S1 AM20100362 [1,1,0,0,0,0|2,0,0]=4 686 B7R1.2 NC1=NC=C(Cl)S1 AMY11972 [1,1,0,0,0,0|2,0,0]=4 687 B7R1.2 NC1=NC=C(F)S1 AM20100721 [1,1,0,0,0,0|2,0,0]=4 688 B7R1.2 NC1=NC=C(F)S1 AMY17004 [1,1,0,0,0,0|2,0,0]=4 689 B7R1.2 NC1=NNC(O)=C1 AM20100491 [1,1,0,0,0,0|2,0,0]=4 690 B7R1.2 O=C1C=CC(=O)N1 AMY236 [1,1,0,0,0,0|1,0,1]=4 691 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [1,1,0,0,0,0|1,0,1]=4 692 B7R1.4 BrC1=C(Br)SC=C1 AM20090446 [1,1,0,0,0,0|1,0,0]=3 693 B7R1.4 BrC1=C(I)SC=C1 AMY7304 [1,1,0,0,0,0|1,0,0]=3 694 B7R1.4 CC1=C(Br)C=CS1 AM20090416 [1,1,0,0,0,0|0,0,0]=2 695 B7R1.4 CC1=C(Br)N=CN1 AM803272 [1,1,0,0,0,0|2,0,0]=4 696 B7R1.4 CC1=C(Br)SC=C1 AM20080325 [1,1,0,0,0,0|1,0,0]=3 697 B7R1.4 CC1=C(Br)SC=N1 AMY11543 [1,1,0,0,0,0|2,0,0]=4 698 B7R1.4 CC1=C(C)NC=N1 AM20090242 [1,1,0,0,0,0|2,0,0]=4 699 B7R1.4 CC1=C(C)SC=N1 AMY23262 [1,1,0,0,0,0|1,0,0]=3 700 B7R1.4 CC1=C(Cl)N=CN1 AM87271 [1,1,0,0,0,0|2,0,0]=4 701 B7R1.4 CC1=C(Cl)SC=C1 AMY23212 [1,1,0,0,0,0|1,0,0]=3 702 B7R1.4 CC1=C(I)C=NO1 AMY24812 [1,1,0,0,0,0|1,1,0]=4 703 B7R1.4 CC1=C(I)NC=N1 AMY10213 [1,1,0,0,0,0|2,0,0]=4 704 B7R1.4 CC1=C(N)OC=N1 AM101230 [1,1,0,0,0,0|2,0,0]=4 705 B7R1.4 CC1=C(S)C=CS1 AMY10940 [1,1,0,0,0,0|0,0,0]=2 706 B7R1.4 CC1=CC=CN1C AMY19099 [1,1,0,0,0,0|1,0,0]=3 707 B7R1.4 CC1=CC=NN1C AMY18830 [1,1,0,0,0,0|2,0,0]=4 708 B7R1.4 CC1=CNC=C1C AMY33665 [1,1,0,0,0,0|2,0,0]=4 709 B7R1.4 CC1=CSC=C1Br AMY10901 [1,1,0,0,0,0|2,0,0]=4 710 B7R1.4 CC1=CSC=C1C AMY10944 [1,1,0,0,0,0|2,0,0]=4 711 B7R1.4 CC1=CSC=C1N AMY34988 [1,1,0,0,0,0|2,0,0]=4 712 B7R1.4 CC1=NC=CN1C AM20090037 [1,1,0,0,0,0|2,0,0]=4 713 B7R1.4 CC1=NNC=C1Br AM20080282 [1,1,0,0,0,0|2,0,0]=4 714 B7R1.4 CC1=NNC=C1I AM807434 [1,1,0,0,0,0|2,0,0]=4 715 B7R1.4 CC1=NNC=C1N AMY30999 [1,1,0,0,0,0|2,0,0]=4 716 B7R1.4 CC1=NOC=C1Br AM20210014 [1,1,0,0,0,0|2,0,0]=4 717 B7R1.4 CC1=NOC=C1N AM80998 [1,1,0,0,0,0|2,0,0]=4 718 B7R1.4 CN1N=CC=C1Br AMY1116 [1,1,0,0,0,0|2,0,0]=4 719 B7R1.4 CN1N=CC=C1I AM803725 [1,1,0,0,0,0|2,0,0]=4 720 B7R1.4 CN1N=CC=C1N AM803021 [1,1,0,0,0,0|2,0,0]=4 721 B7R1.4 CN1N=CC=C1O AM20090516 [1,1,0,0,0,0|2,0,0]=4 722 B7R1.4 CN1NC=CC1=O AMY11909 [1,1,0,0,0,0|2,0,0]=4 723 B7R1.4 CN1SC=CC1=O AM84857 [1,1,0,0,0,0|1,0,0]=3 724 B7R1.4 CN1SC=CC1=O AMY38474 [1,1,0,0,0,0|1,0,0]=3 725 B7R1.4 ClC1=C(Br)C=CS1 AMY7921 [1,1,0,0,0,0|1,0,0]=3 726 B7R1.4 ClC1=C(Cl)SC=C1 AMY22872 [1,1,0,0,0,0|1,0,0]=3 727 B7R1.4 NC1=C(Br)C=CS1 AMY32079 [1,1,0,0,0,0|1,0,0]=3 728 B7R1.4 NC1=C(Br)SC=N1 AMY15986 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.1 BrCC1=CC=C(Br)C=C1 AM81632 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.1 BrCC1=CC=C(I)C=C1 AM20030077 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.1 BrCC1=CN=C(Br)C=C1 AM90449 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.1 BrCC1=CN=C(Br)C=C1 AM92156 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.1 BrCC1=NC=C(Br)C=C1 AMY39800 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.1 BrCC1=NC=C(Br)C=C1 AMY7716 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.1 CC1=CC=C(CCl)C=C1 AM90498 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.1 CC1=CC=C(CN)C=C1 AM9932 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.1 CC1=CC=C(CO)C=C1 AMY21965 [0,1,0,0,0,1|1,0,0]=3 738 B9R1.1 CC1=CN=C(CCl)C=C1 AM85006 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.1 CC1=CN=C(CCl)N=C1 AMY15727 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.1 CC1=CN=C(CN)C=C1 AM20051199 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.1 CC1=CN=C(CN)C=N1 AMY23757 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.1 CC1=CN=C(CN)C=N1 AMY35804 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.1 CC1=CN=C(CN)N=C1 AM804561 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.1 CC1=CN=C(CO)C=C1 AM803557 [0,1,0,0,0,1|1,0,0]=3 745 B9R1.1 CC1=CN=C(CO)C=N1 AMY28834 [0,1,0,0,0,1|1,0,0]=3 746 B9R1.1 CC1=CN=C(CO)N=C1 AM804532 [0,1,0,0,0,1|1,0,0]=3 747 B9R1.1 CC1=NC=C(CBr)C=C1 AM85398 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.1 CC1=NC=C(CBr)C=C1 AM85399 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.1 CC1=NC=C(CCl)C=C1 AMY3651 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.1 CC1=NC=C(CN)C=C1 AM20061333 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.1 CC1=NC=C(CO)C=C1 AM85397 [0,1,0,0,0,1|1,0,0]=3 752 B9R1.1 CC1=NC=C(CO)C=N1 AMY10939 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.1 CCC1=CC=C(Br)C=C1 AM20050263 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.1 CCC1=CC=C(C)C=C1 AM20040885 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.1 CCC1=CC=C(N)C=C1 AM806842 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.1 CCC1=CC=C(O)C=C1 AMY8780 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.1 CCC1=CN=C(C)C=C1 AMY21865 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.1 CCC1=NC=C(Br)C=C1 AMY7733 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.1 CCC1=NC=C(Br)C=N1 AM85027 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.1 CCC1=NC=C(N)C=C1 AM20050741 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.1 ClC1=CC=C(CBr)C=C1 AM20040884 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.1 ClC1=NC=C(CBr)C=C1 AM100420 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.1 ClC1=NN=C(CBr)C=C1 AM101369 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.1 ClC1=NN=C(CBr)C=C1 AM94118 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.1 ClCC1=CC=C(Br)C=C1 AM62180 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.1 ClCC1=CC=C(Cl)C=C1 AM90499 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.1 ClCC1=CN=C(Cl)C=C1 AM81289 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.1 ClCC1=NC=C(Cl)C=C1 AMY39580 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.1 ClCC1=NN=C(Cl)C=C1 AM91099 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.1 ClCC1=NN=C(Cl)C=C1 AM99037 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.1 FC1=CC=C(CBr)C=C1 AM20040515 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.1 FC1=CC=C(CCl)C=C1 AM100704 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.1 FC1=CN=C(CCl)C=C1 AMY3096 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.1 FC1=NC=C(CBr)C=C1 AM20050637 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.1 FCC1=CC=C(Br)C=C1 AM806120 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.1 NC1=CC=C(CO)C=C1 AM20040888 [0,1,0,0,0,1|1,0,0]=3 777 B9R1.1 NC1=NC=C(CO)C=C1 AM20050678 [0,1,0,0,0,1|1,0,0]=3 778 B9R1.1 NC1=NC=C(CO)C=N1 AMY048 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.1 NCC1=CC=C(Br)C=C1 AM86931 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.1 NCC1=CC=C(F)C=C1 AM20020467 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.1 NCC1=CC=C(N)C=C1 AM20040484 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.1 NCC1=CC=C(N)C=C1 AM20040693 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.1 NCC1=CC=C(O)C=C1 AM20060931 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.1 NCC1=CC=C(O)C=C1 AMY22883 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.1 NCC1=CN=C(Br)C=C1 AM20050712 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.1 NCC1=CN=C(Br)C=C1 AM91176 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.1 NCC1=CN=C(Cl)C=C1 AM100289 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.1 NCC1=CN=C(Cl)C=C1 AM81290 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.1 NCC1=CN=C(F)C=C1 AMY34453 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.1 NCC1=NC=C(Br)C=C1 AM20130028 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.1 NCC1=NC=C(Br)C=C1 AM803118 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.1 NCC1=NC=C(Cl)C=C1 AMY41152 [0,1,0,0,0,1|2,0,0]=4 793 B9R1.1 NCC1=NC=C(Cl)C=C1 AMY6195 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.1 NCC1=NC=C(F)C=C1 AMY7874 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.1 NCC1=NN=C(Cl)C=C1 AM101424 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.1 NCC1=NN=C(Cl)C=C1 AM99566 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.1 OC1=CN=C(CF)N=C1 AM806483 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.1 OCC1=CC=C(Br)C=C1 AM20050135 [0,1,0,0,0,1|1,0,0]=3 799 B9R1.1 OCC1=CC=C(F)C=C1 AM61577 [0,1,0,0,0,1|1,0,0]=3 800 B9R1.1 OCC1=CC=C(I)C=C1 AM20030209 [0,1,0,0,0,1|1,0,0]=3 801 B9R1.1 OCC1=CC=C(O)C=C1 AM20050567 [0,1,0,0,0,1|1,0,0]=3 802 B9R1.1 OCC1=CC=C(S)C=C1 AM20040654 [0,1,0,0,0,1|1,0,0]=3 803 B9R1.1 OCC1=CN=C(Br)C=C1 AM86410 [0,1,0,0,0,1|1,0,0]=3 804 B9R1.1 OCC1=CN=C(Cl)C=C1 AM20070281 [0,1,0,0,0,1|1,0,0]=3 805 B9R1.1 OCC1=CN=C(Cl)C=N1 AM20070384 [0,1,0,0,0,1|1,0,0]=3 806 B9R1.1 OCC1=CN=C(F)C=C1 AMY7968 [0,1,0,0,0,1|1,0,0]=3 807 B9R1.1 OCC1=CN=C(O)C=C1 AMY4799 [0,1,0,0,0,1|1,0,0]=3 808 B9R1.1 OCC1=NC=C(Br)C=C1 AM20070062 [0,1,0,0,0,1|1,0,0]=3 809 B9R1.1 OCC1=NC=C(Cl)C=C1 AMY16400 [0,1,0,0,0,1|1,0,0]=3 810 B9R1.1 OCC1=NC=C(Cl)C=N1 AMY28727 [0,1,0,0,0,1|1,0,0]=3 811 B9R1.1 OCC1=NC=C(F)C=C1 AM20061519 [0,1,0,0,0,1|1,0,0]=3 812 B9R1.1 OCC1=NC=C(O)C=C1 AMY41953 [0,1,0,0,0,1|1,0,0]=3 813 B9R1.1 OCC1=NC=C(O)C=N1 AM806495 [0,1,0,0,0,1|1,0,0]=3 814 B9R1.1 OCC1=NN=C(Cl)C=C1 AMY17340 [0,1,0,0,0,1|1,0,0]=3 815 B9R1.2 BrCC1=CC(Br)=NC=C1 AM101325 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.2 BrCC1=CC(Br)=NC=C1 AM92922 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.2 BrCC1=CC=CC(Br)=C1 AM20041204 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.2 BrCC1=CC=CC(Br)=N1 AM20061528 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.2 BrCC1=CC=CC(I)=C1 AM20040565 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.2 CC1=CC(CN)=NC=C1 AM803142 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.2 CC1=CC(CO)=CN=C1 AM802845 [0,1,0,0,0,1|1,0,0]=3 822 B9R1.2 CC1=CC(CO)=NC=C1 AMY19901 [0,1,0,0,0,1|1,0,0]=3 823 B9R1.2 CC1=CC=CC(CBr)=C1 AM81462 [0,1,0,0,0,1|2,0,0]=4 824 B9R1.2 CC1=CC=CC(CCl)=N1 AM803672 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.2 CC1=CC=CC(CCl)=N1 AMY2371 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.2 CC1=CC=CC(CN)=C1 AM83138 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.2 CC1=CC=CC(CN)=N1 AM804203 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.2 CC1=CC=CC(CN)=N1 AMY29079 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.2 CC1=CC=CC(CO)=C1 AMY30365 [0,1,0,0,0,1|1,0,0]=3 830 B9R1.2 CC1=CC=CC(CO)=N1 AM802937 [0,1,0,0,0,1|1,0,0]=3 831 B9R1.2 CC1=CC=NC(CN)=N1 AM804564 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.2 CC1=CC=NC(CO)=N1 AM806503 [0,1,0,0,0,1|1,0,0]=3 833 B9R1.2 CC1=CN=CC(CN)=C1 AM804347 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.2 CC1=NC=CC(CCl)=C1 AMY17220 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.2 CC1=NC=CC(CN)=C1 AM803175 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.2 CC1=NC=CC(CN)=C1 AM804587 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.2 CC1=NC=CC(CO)=C1 AMY17223 [0,1,0,0,0,1|1,0,0]=3 838 B9R1.2 CCC1=CC(Br)=NC=C1 AMY29190 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.2 CCC1=CC(Cl)=NC=N1 AM20080745 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.2 CCC1=CC(O)=NC=N1 AM91232 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.2 CCC1=CC=CC(Br)=C1 AMY28339 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.2 CCC1=CC=CC(Cl)=C1 AMY28190 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.2 CCC1=CC=CC(F)=C1 AMY36974 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.2 CCC1=CC=CC(N)=C1 AMY38122 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.2 CCC1=NC(C)=CC=C1 AMY2883 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.2 ClC1=CC=CC(CBr)=C1 AM20041138 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.2 ClC1=CC=CC(CBr)=N1 AMY30242 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.2 ClC1=NC=CC(CBr)=C1 AM85922 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.2 ClC1=NC=CC(CBr)=N1 AM100409 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.2 ClCC1=CC(Br)=CN=C1 AM20051149 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.2 ClCC1=CC(Cl)=CN=C1 AMY12264 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.2 ClCC1=CC=CC(Br)=C1 AM62181 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.2 ClCC1=CC=CC(Br)=N1 AMY30300 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.2 ClCC1=CC=CC(Cl)=C1 AM101038 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.2 ClCC1=NC=CC(Cl)=C1 AM20050618 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.2 FC1=CC=CC(CBr)=C1 AM20040511 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.2 FC1=CC=CC(CCl)=C1 AM81465 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.2 NC1=CC(CO)=NC=N1 AMY5757 [0,1,0,0,0,1|1,0,0]=3 859 B9R1.2 NC1=CC=CC(CO)=C1 AM20060200 [0,1,0,0,0,1|1,0,0]=3 860 B9R1.2 NC1=CC=CC(CO)=N1 AM87215 [0,1,0,0,0,1|1,0,0]=3 861 B9R1.2 NC1=CC=NC(CCl)=N1 AMY10900 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.2 NC1=NC=CC(CCl)=C1 AMY19864 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.2 NC1=NC=CC(CO)=C1 AM20050631 [0,1,0,0,0,1|1,0,0]=3 864 B9R1.2 NCC1=CC(=O)NC=C1 AMY33767 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.2 NCC1=CC(Br)=CN=C1 AMY27482 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.2 NCC1=CC(Br)=NC=C1 AM85356 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.2 NCC1=CC(Br)=NC=C1 AM94353 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.2 NCC1=CC(Cl)=CN=C1 AMY41747 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.2 NCC1=CC(Cl)=NC=C1 AM803217 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.2 NCC1=CC(Cl)=NC=C1 AMY4252 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.2 NCC1=CC(F)=CN=C1 AMY12117 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.2 NCC1=CC(F)=NC=C1 AMY19160 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.2 NCC1=CC(N)=NC=C1 AMY9011 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.2 NCC1=CC=CC(Br)=C1 AM20050131 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.2 NCC1=CC=CC(Br)=N1 AM20050912 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.2 NCC1=CC=CC(Br)=N1 AMY5409 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.2 NCC1=CC=CC(Cl)=N1 AMY10223 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.2 NCC1=CC=CC(F)=C1 AM20020061 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.2 NCC1=CC=CC(I)=C1 AMY607 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.2 NCC1=CC=CC(N)=C1 AM20040483 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.2 NCC1=CC=CC(N)=N1 AMY30238 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.2 NCC1=NC=CC(Br)=C1 AMY19146 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.2 NCC1=NC=CC(Br)=C1 AMY34516 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.2 NCC1=NC=CC(Cl)=C1 AM803394 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.2 O=C1C=C(CO)C=CN1 AM20050749 [0,1,0,0,0,1|1,0,0]=3 886 B9R1.2 OC1=CC=CC(CBr)=C1 AMY22500 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.2 OCC1=CC(Br)=CN=C1 AM20061687 [0,1,0,0,0,1|1,0,0]=3 888 B9R1.2 OCC1=CC(Br)=NC=C1 AM20070193 [0,1,0,0,0,1|1,0,0]=3 889 B9R1.2 OCC1=CC(Cl)=CN=C1 AM20070007 [0,1,0,0,0,1|1,0,0]=3 890 B9R1.2 OCC1=CC(Cl)=NC=C1 AM802825 [0,1,0,0,0,1|1,0,0]=3 891 B9R1.2 OCC1=CC(Cl)=NC=N1 AMY38518 [0,1,0,0,0,1|1,0,0]=3 892 B9R1.2 OCC1=CC(F)=NC=C1 AMY26902 [0,1,0,0,0,1|1,0,0]=3 893 B9R1.2 OCC1=CC(O)=CN=C1 AMY28901 [0,1,0,0,0,1|1,0,0]=3 894 B9R1.2 OCC1=CC=CC(Br)=C1 AM81354 [0,1,0,0,0,1|1,0,0]=3 895 B9R1.2 OCC1=CC=CC(Br)=N1 AM20051087 [0,1,0,0,0,1|1,0,0]=3 896 B9R1.2 OCC1=CC=CC(Cl)=N1 AMY31347 [0,1,0,0,0,1|1,0,0]=3 897 B9R1.2 OCC1=CC=CC(Cl)=N1 AMY9261 [0,1,0,0,0,1|1,0,0]=3 898 B9R1.2 OCC1=CC=CC(F)=N1 AMY9105 [0,1,0,0,0,1|1,0,0]=3 899 B9R1.2 OCC1=CC=CC(I)=C1 AM20040750 [0,1,0,0,0,1|1,0,0]=3 900 B9R1.2 OCC1=NC=CC(Br)=C1 AM20050765 [0,1,0,0,0,1|1,0,0]=3 901 B9R1.2 OCC1=NC=CC(Cl)=C1 AM20070274 [0,1,0,0,0,1|1,0,0]=3 902 B9R1.2 OCC1=NC=CC(O)=C1 AM20061554 [0,1,0,0,0,1|1,0,0]=3 903 B9R1.2 SCC1=CC=CC(Cl)=C1 AM100584 [0,1,0,0,0,1|1,1,0]=4 904 B9R1.6 CC(C)C1=CC=NC=C1 AMY7034 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.6 CC(C)C1=NC=CC=C1 AM20061825 [0,1,0,0,0,1|2,0,0]=4 906 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AM84475 [0,1,0,0,0,1|1,0,0]=3 907 B9R1.6 C[C@@H](O)C1=CN=CC=C1 AMY19998 [0,1,0,0,0,1|1,0,0]=3 908 B9R1.6 C[C@@H](S)C1=CC=CC=C1 AMY2454 [0,1,0,0,0,1|1,1,0]=4 909 B9R1.6 C[C@H](Br)C1=CC=CC=C1 AMY25716 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.6 C[C@H](Br)C1=NC=CC=C1 AM101236 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.6 C[C@H](Br)C1=NC=CN=C1 AM101592 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 AM90521 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.6 C[C@H](Cl)C1=NC=CN=C1 AM91576 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.6 C[C@H](N)C1=CC=CC=C1 AM20060475 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.6 C[C@H](N)C1=CC=CC=C1 AM20060613 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.6 C[C@H](N)C1=CC=CC=C1 AM20060838 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.6 C[C@H](N)C1=CC=CN=C1 AM20120563 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.6 C[C@H](N)C1=CC=CN=C1 AM804046 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.6 C[C@H](N)C1=CC=NC=C1 AM803970 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.6 C[C@H](N)C1=CC=NC=C1 AMY10467 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.6 C[C@H](N)C1=NC=CC=C1 AM100464 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.6 C[C@H](N)C1=NC=CC=C1 AM20070291 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.6 C[C@H](N)C1=NC=CC=N1 AM804589 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.6 C[C@H](N)C1=NC=CN=C1 AM100396 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.6 C[C@H](O)C1=CC=CC=C1 AM84405 [0,1,0,0,0,1|1,0,0]=3 926 B9R1.6 C[C@H](O)C1=CC=CC=C1 AMY3819 [0,1,0,0,0,1|1,0,0]=3 927 B9R1.6 C[C@H](O)C1=CC=NC=C1 AM803895 [0,1,0,0,0,1|1,0,0]=3 928 B9R1.6 C[C@H](O)C1=CN=CC=C1 AM803939 [0,1,0,0,0,1|1,0,0]=3 929 B9R1.6 C[C@H](O)C1=NC=CC=C1 AM803422 [0,1,0,0,0,1|1,0,0]=3 930 B9R1.6 C[C@H](O)C1=NC=CC=N1 AM806505 [0,1,0,0,0,1|1,0,0]=3 931 B9R1.6 C[C@H](O)C1=NC=CN=C1 AM101693 [0,1,0,0,0,1|1,0,0]=3 932 B9R1.6 C[C@H](S)C1=CC=CC=C1 AMY2483 [0,1,0,0,0,1|1,1,0]=4 933 B9R1.6 C[C@H](S)C1=NC=CC=C1 AM101001 [0,1,0,0,0,1|1,1,0]=4 934 B9R1.6 C[C@H](S)C1=NC=CN=C1 AM91921 [0,1,0,0,0,1|1,1,0]=4 935 B9R1.6 C[C@H]([Zn+])C1=CC=CC=C1 AMY30991 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.6 O=C(O)C1=CC=NC=C1 AM81318 [0,1,0,0,0,1|1,0,1]=4 937 B9R1.6 O=C(O)C1=CN=CC=C1 AM81316 [0,1,0,0,0,1|1,0,1]=4 938 B9R1.6 O=C(O)C1=NC=CC=C1 AM81303 [0,1,0,0,0,1|1,0,1]=4 939 B9R1.6 O=C(O)C1=NC=CC=N1 AM20090451 [0,1,0,0,0,1|1,0,1]=4 940 B9R1.6 O=C(O)C1=NC=CN=C1 AM20070429 [0,1,0,0,0,1|1,0,1]=4 941 B9R1.6 O=C(O)C1=NC=NC=C1 AM20090449 [0,1,0,0,0,1|1,0,1]=4 942 B9R1.6 O=C(O)C1=NN=CC=C1 AMY24938 [0,1,0,0,0,1|1,0,1]=4 943 B9R1.6 OB(O)C1=CC=CC=C1 AM20060348 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.6 OB(O)C1=CC=NC=C1 AM20070090 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.6 OB(O)C1=CN=CC=C1 AM20050870 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.6 OB(O)C1=CN=CC=C1 AMY1157 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.6 OB(O)C1=NC=CC=C1 AM84676 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.8 BrCCC1=CC=CC=C1 AMY10404 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.8 BrCCC1=NC=CC=C1 AM20061469 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.8 BrCCC1=NC=CC=C1 AM807304 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.8 CCCC1=CC=NC=C1 AMY5939 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.8 CCNC1=CC=CN=C1 AMY19453 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.8 CCNC1=NC=CC=N1 AM101104 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.8 CCNC1=NC=CN=C1 AM101086 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.8 CCOC1=NC=CC=C1 AM20061677 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.8 CCOC1=NC=CN=C1 AM20070349 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.8 CNCC1=CC=CN=C1 AM101655 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.8 CNCC1=CC=CN=C1 AM20050925 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.8 CNCC1=CC=NC=C1 AM804244 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.8 CNCC1=CC=NC=C1 AM806343 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.8 CNCC1=NC=CC=C1 AM100341 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.8 CNCC1=NC=CC=C1 AM803502 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.8 CNCC1=NC=CC=N1 AM802909 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.8 CNCC1=NC=CN=C1 AM20070306 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.8 CNCC1=NC=NC=C1 AMY16236 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.8 ClCCC1=NC=CC=C1 AMY33287 [0,1,0,0,0,1|2,0,0]=4 967 B9R1.8 N#CCC1=CC=NC=C1 AMY22534 [0,1,0,0,0,1|2,0,0]=4 968 B9R1.8 N#CCC1=CC=NC=C1 AMY22574 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.8 N#CCC1=CN=CC=C1 AM20061403 [0,1,0,0,0,1|2,0,0]=4 970 B9R1.8 N#CCC1=NC=CC=C1 AM20070265 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.8 NCCC1=CC=CC=C1 AMY39444 [0,1,0,0,0,1|2,0,0]=4 972 B9R1.8 NCCC1=CC=CN=C1 AM836 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.8 NCCC1=CC=NC=C1 AMY32187 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.8 NCCC1=NC=CC=C1 AM20070004 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.8 NCCC1=NC=CN=C1 AMY4378 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.8 NNCC1=CC=CC=C1 AM20060322 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.8 NNCC1=CC=CC=C1 AM9982 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.8 NNCC1=CC=CC=C1 AM9983 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.8 NNCC1=CC=CN=C1 AM20061450 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.8 NNCC1=CC=CN=C1 AMY32836 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.8 NNCC1=CC=NC=C1 AM9893 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.8 NNCC1=CC=NC=C1 AMY33776 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.8 NOCC1=CC=CC=C1 AM20060583 [0,1,0,0,0,1|1,0,0]=3 984 B9R1.8 NOCC1=CC=CC=C1 AMY24029 [0,1,0,0,0,1|1,0,0]=3 985 B9R1.8 O=CCC1=NC=CC=C1 AMY30401 [0,1,0,0,0,1|1,0,1]=4 986 B9R1.8 OCCC1=CC=NC=C1 AM81310 [0,1,0,0,0,1|1,0,0]=3 987 B9R1.8 OCCC1=CN=CC=C1 AM81317 [0,1,0,0,0,1|1,0,0]=3 988 B9R1.8 OCCC1=CN=CN=C1 AMY16097 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.8 OCCC1=NC=CC=C1 AM81304 [0,1,0,0,0,1|1,0,0]=3 990 B9R1.8 OCCC1=NC=CN=C1 AMY25049 [0,1,0,0,0,1|1,0,0]=3 991 B9R1.8 OCCC1=NN=CC=C1 AMY31019 [0,1,0,0,0,1|1,0,0]=3 992 B9R1.8 ONCC1=CC=CC=C1 AM20120645 [0,1,0,0,0,1|1,0,0]=3 993 B9R1.8 O\N=C\C1=CC=NC=C1 AMY40496 [0,1,0,0,0,1|1,0,1]=4 994 B9R1.8 SCCC1=NC=CN=C1 AMY23174 [0,1,0,0,0,1|1,1,0]=4 995 B9R1.15 BrCC1=C(Br)C=CC=C1 AM81631 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.15 BrCC1=C(Br)C=CC=N1 AMY39673 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.15 BrCC1=C(Br)C=NC=C1 AM86391 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.15 BrCC1=C(I)C=CC=C1 AM20040420 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.15 BrCC1=CC=CN=C1Br AM20061638 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.15 CC1=C(CCl)C=CC=C1 AM100941 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.15 CC1=C(CCl)C=CC=N1 AM806577 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.15 CC1=C(CN)C=CC=C1 AMY2402 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.15 CC1=C(CN)C=CN=C1 AM804623 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.15 CC1=C(CN)C=NC=C1 AM86595 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.15 CC1=C(CN)N=NC=C1 AMY35803 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.15 CC1=C(CO)C=CC=N1 AM804056 [0,1,0,0,0,1|1,0,0]=3 1007 B9R1.15 CC1=C(CO)C=CN=C1 AM20051127 [0,1,0,0,0,1|1,0,0]=3 1008 B9R1.15 CC1=C(CO)C=NC=C1 AMY38214 [0,1,0,0,0,1|1,0,0]=3 1009 B9R1.15 CC1=CC=CN=C1CCl AM806708 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.15 CC1=CC=CN=C1CN AM20050834 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.15 CC1=CC=CN=C1CO AM804159 [0,1,0,0,0,1|1,0,0]=3 1012 B9R1.15 CC1=NC=CC=C1CN AM804087 [0,1,0,0,0,1|2,0,0]=4 1013 B9R1.15 CC1=NC=CN=C1CCl AMY34672 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.15 CCC1=C(Br)C=CC=C1 AM20050262 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.15 CCC1=C(Br)C=CN=C1 AMY34943 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.15 CCC1=C(C)C=CC=C1 AM20040851 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.15 CCC1=C(F)C=NC=N1 AM20080276 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.15 CCC1=C(I)C=CC=C1 AMY6237 [0,1,0,0,0,1|2,0,0]=4 1019 B9R1.15 CCC1=C(N)C=CC=C1 AMY40201 [0,1,0,0,0,1|2,0,0]=4 1020 B9R1.15 CCC1=C(O)C=CC=N1 AM806510 [0,1,0,0,0,1|2,0,0]=4 1021 B9R1.15 CCC1=CC=CN=C1C AMY17406 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.15 CCC1=CC=CN=C1N AM20051175 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.15 CCC1=NC=CN=C1C AMY23218 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.15 CCC1=NC=CN=C1N AMY41016 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.15 ClC1=C(CBr)C=CC=C1 AM20040852 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.15 ClC1=CC=CN=C1CBr AMY17286 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.15 ClC1=NC=CN=C1CBr AM91562 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.15 ClC1=NC=CN=C1CBr AM92928 [0,1,0,0,0,1|2,0,0]=4 1029 B9R1.15 ClCC1=C(Br)C=CC=N1 AMY9100 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.15 ClCC1=C(Cl)C=CC=C1 AM101018 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.15 ClCC1=C(I)C=CC=C1 AM20040803 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.15 ClCC1=NC=CN=C1Cl AM100836 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.15 FC1=C(CBr)C=CC=C1 AM20040494 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.15 FC1=C(CBr)C=CC=N1 AM806109 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.15 FC1=C(CCl)C=CC=C1 AM81464 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.15 FC1=C(CCl)C=CC=N1 AMY42450 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.15 FC1=C(CCl)C=CN=C1 AM806174 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.15 FC1=CC=CN=C1CBr AMY18329 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.15 FC1=CC=CN=C1CBr AMY18330 [0,1,0,0,0,1|2,0,0]=4 1040 B9R1.15 FC1=CC=CN=C1CCl AMY18332 [0,1,0,0,0,1|2,0,0]=4 1041 B9R1.15 FC1=CC=CN=C1CCl AMY7984 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.15 NC1=C(CBr)C=CC=C1 AM84273 [0,1,0,0,0,1|2,0,0]=4 1043 B9R1.15 NC1=C(CBr)C=CC=C1 AM85380 [0,1,0,0,0,1|2,0,0]=4 1044 B9R1.15 NC1=C(CO)C=CC=C1 AMY4003 [0,1,0,0,0,1|1,0,0]=3 1045 B9R1.15 NC1=C(CO)C=CC=N1 AM20070184 [0,1,0,0,0,1|1,0,0]=3 1046 B9R1.15 NC1=C(CO)C=CN=C1 AMY41940 [0,1,0,0,0,1|1,0,0]=3 1047 B9R1.15 NC1=C(CO)C=NC=C1 AM20120561 [0,1,0,0,0,1|1,0,0]=3 1048 B9R1.15 NC1=C(CO)C=NC=N1 AMY15851 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.15 NC1=CC=CN=C1CO AMY41921 [0,1,0,0,0,1|1,0,0]=3 1050 B9R1.15 NC1=NC=CN=C1CO AMY15889 [0,1,0,0,0,1|1,0,0]=3 1051 B9R1.15 NCC1=C(Br)C=CC=C1 AM20060145 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.15 NCC1=C(Br)C=CC=N1 AMY17376 [0,1,0,0,0,1|2,0,0]=4 1053 B9R1.15 NCC1=C(Br)C=NC=C1 AM20061594 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.15 NCC1=C(Cl)C=CC=C1 AM20041339 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.15 NCC1=C(Cl)C=CC=N1 AMY38792 [0,1,0,0,0,1|2,0,0]=4 1056 B9R1.15 NCC1=C(Cl)C=CN=C1 AM806422 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.15 NCC1=C(F)C=CC=C1 AM20041340 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.15 NCC1=C(F)C=CC=N1 AMY33556 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.15 NCC1=C(F)C=CC=N1 AMY41279 [0,1,0,0,0,1|2,0,0]=4 1060 B9R1.15 NCC1=C(F)C=CN=C1 AM806295 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.15 NCC1=C(I)C=CC=C1 AM100769 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.15 NCC1=C(N)C=NC=C1 AMY41159 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.15 NCC1=C(O)C=CC=C1 AM83184 [0,1,0,0,0,1|2,0,0]=4 1064 B9R1.15 NCC1=C(O)C=NC=C1 AM85426 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.15 NCC1=CC=CN=C1Cl AM84711 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.15 NCC1=CC=CN=C1F AMY38223 [0,1,0,0,0,1|2,0,0]=4 1067 B9R1.15 NCC1=CC=CN=C1N AM91863 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.15 NCC1=NC=CN=C1Cl AM20070330 [0,1,0,0,0,1|2,0,0]=4 1069 B9R1.15 NCC1=NC=CN=C1Cl AM20070388 [0,1,0,0,0,1|2,0,0]=4 1070 B9R1.15 OCC1=C(Br)C=CC=C1 AM20050133 [0,1,0,0,0,1|1,0,0]=3 1071 B9R1.15 OCC1=C(Br)C=CC=N1 AMY14027 [0,1,0,0,0,1|1,0,0]=3 1072 B9R1.15 OCC1=C(Br)C=CN=C1 AM20050919 [0,1,0,0,0,1|1,0,0]=3 1073 B9R1.15 OCC1=C(Br)C=NC=C1 AM803225 [0,1,0,0,0,1|1,0,0]=3 1074 B9R1.15 OCC1=C(Cl)C=CC=C1 AM20060901 [0,1,0,0,0,1|1,0,0]=3 1075 B9R1.15 OCC1=C(Cl)C=CC=N1 AMY8066 [0,1,0,0,0,1|1,0,0]=3 1076 B9R1.15 OCC1=C(Cl)C=CN=C1 AM803430 [0,1,0,0,0,1|1,0,0]=3 1077 B9R1.15 OCC1=C(Cl)C=CN=C1 AMY40977 [0,1,0,0,0,1|1,0,0]=3 1078 B9R1.15 OCC1=C(Cl)C=NC=C1 AMY17329 [0,1,0,0,0,1|1,0,0]=3 1079 B9R1.15 OCC1=C(F)C=CC=N1 AM20051058 [0,1,0,0,0,1|1,0,0]=3 1080 B9R1.15 OCC1=C(F)C=NC=C1 AM807047 [0,1,0,0,0,1|1,0,0]=3 1081 B9R1.15 OCC1=C(I)C=CC=C1 AM803977 [0,1,0,0,0,1|1,0,0]=3 1082 B9R1.15 OCC1=C(O)C=CC=C1 AM20060376 [0,1,0,0,0,1|1,0,0]=3 1083 B9R1.15 OCC1=C(O)C=CC=N1 AM20050812 [0,1,0,0,0,1|1,0,0]=3 1084 B9R1.15 OCC1=C(S)C=CC=C1 AMY24798 [0,1,0,0,0,1|1,0,0]=3 1085 B9R1.15 OCC1=CC=CN=C1Cl AM20070280 [0,1,0,0,0,1|1,0,0]=3 1086 B9R1.15 OCC1=CC=CN=C1F AMY7908 [0,1,0,0,0,1|1,0,0]=3 1087 B9R1.15 OCC1=NC=CN=C1Cl AMY15956 [0,1,0,0,0,1|1,0,0]=3 1088 B9R1.15 SCC1=C(Cl)C=CC=C1 AM100766 [0,1,0,0,0,1|1,1,0]=4 1089 B9R1.7 CC1=CC=C(CCO)O1 AMY16284 [0,2,0,0,0,0|0,1,0]=3 1090 B9R1.7 CC1=NC=C(CCO)S1 AMY16331 [0,2,0,0,0,0|1,0,0]=3 1091 B9R1.7 CNCC1=CN=C(Cl)S1 AM803038 [0,2,0,0,0,0|2,0,0]=4 1092 B9R1.7 CNCC1=NC(C)=CS1 AMY37767 [0,2,0,0,0,0|2,0,0]=4 1093 B9R1.7 COCC1=CC(N)=NN1 AMY33681 [0,2,0,0,0,0|2,0,0]=4 1094 B9R1.7 COCC1=CN=C(Cl)S1 AM100680 [0,2,0,0,0,0|1,0,0]=3 1095 B9R1.7 COCC1=NN=C(N)S1 AMY3849 [0,2,0,0,0,0|2,0,0]=4 1096 B9R1.7 N#CCC1=CC(Br)=CS1 AMY3089 [0,2,0,0,0,0|1,0,0]=3 1097 B9R1.7 NC1=CN(CCO)N=C1 AMY4662 [0,2,0,0,0,0|2,0,0]=4 1098 B9R1.7 OCCC1=CSC(Br)=N1 AM85686 [0,2,0,0,0,0|2,0,0]=4 1099 B9R1.7 OCCN1C=C(Br)C=N1 AMY32923 [0,2,0,0,0,0|2,0,0]=4 1100 B9R1.7 ON=CC1=CC=C(Br)S1 AM84760 [0,2,0,0,0,0|0,0,1]=3 1101 B9R1.7 O\N=C\C1=CC(Br)=CS1 AMY27433 [0,2,0,0,0,0|0,0,1]=3 1102 B9R1.21 CCC1=CC=C(CC)S1 AMY22850 [0,2,0,0,0,0|1,0,0]=3 1103 B9R1.21 N#CC1=CC=C(C#N)S1 AMY23394 [0,2,0,0,0,0|1,0,1]=4 1104 B9R1.21 N#CC1=CC=C(C=O)S1 AMY3040 [0,2,0,0,0,0|0,0,2]=4 1105 B9R1.21 NCC1=CC=C(CN)O1 AMY7024 [0,2,0,0,0,0|1,1,0]=4 1106 B9R1.21 O=CC1=CC(CO)=CO1 AMY41823 [0,2,0,0,0,0|2,0,0]=4 1107 B9R1.21 O=CC1=CC=C(C=O)S1 AM20080613 [0,2,0,0,0,0|0,0,2]=4 1108 B9R1.21 O=CC1=CC=C(CO)O1 AM20100616 [0,2,0,0,0,0|0,1,0]=3 1109 B9R1.21 OCC1=CC(CO)=NN1 AMY33013 [0,2,0,0,0,0|2,0,0]=4 1110 B9R1.21 OCC1=CC=C(CO)O1 AM20090102 [0,2,0,0,0,0|0,1,0]=3 1111 B9R1.22 CC1=C(CN)SC(N)=N1 AMY11453 [0,2,0,0,0,0|2,0,0]=4 1112 B9R1.22 CC1=NC(C)=C(CN)S1 AM805883 [0,2,0,0,0,0|2,0,0]=4 1113 B9R1.22 CC1=NC(C)=C(CO)S1 AM803969 [0,2,0,0,0,0|1,0,0]=3 1114 B9R1.22 CC1=NC(CO)=C(C)O1 AMY25053 [0,2,0,0,0,0|2,0,0]=4 1115 B9R1.22 CC1=NN(C)C(CO)=C1 AMY26983 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.22 CN1C=C(Br)C(CO)=N1 AMY33209 [0,2,0,0,0,0|2,0,0]=4 1117 B9R1.23 CC1=C(Br)SC(C=O)=C1 AM90071 [0,2,0,0,0,0|0,0,2]=4 1118 B9R1.23 CC1=CC(CO)=NN1C AMY32921 [0,2,0,0,0,0|2,0,0]=4 1119 B9R1.23 OCC1=NC(Cl)=C(Cl)N1 AM807196 [0,2,0,0,0,0|2,0,0]=4 1120 B9R1.35 CC(=O)C1=CC(Br)=CS1 AMY16069 [0,2,0,0,0,0|0,0,2]=4 1121 B9R1.35 CC(=O)C1=CC(Cl)=CS1 AMY40541 [0,2,0,0,0,0|0,0,2]=4 1122 B9R1.35 CC(=O)C1=CC=C(Br)S1 AMY14215 [0,2,0,0,0,0|0,0,2]=4 1123 B9R1.35 CC(=O)C1=CC=C(Cl)S1 AM20100558 [0,2,0,0,0,0|0,0,2]=4 1124 B9R1.35 CC1=CC=C(B(O)O)O1 AM87100 [0,2,0,0,0,0|1,1,0]=4 1125 B9R1.35 CC1=CC=C(B(O)O)S1 AM803287 [0,2,0,0,0,0|1,0,0]=3 1126 B9R1.35 CC1=CC=C(C(=O)O)N1 AMY4812 [0,2,0,0,0,0|1,0,1]=4 1127 B9R1.35 CC1=CC=C(C(=O)O)O1 AM20090119 [0,2,0,0,0,0|0,1,1]=4 1128 B9R1.35 CC1=CC=C(C(=O)O)S1 AM20090123 [0,2,0,0,0,0|0,0,1]=3 1129 B9R1.35 CC1=CN=C(C(=O)O)S1 AM20100492 [0,2,0,0,0,0|1,0,1]=4 1130 B9R1.35 CC1=CNC(C(=O)O)=C1 AMY14426 [0,2,0,0,0,0|1,0,1]=4 1131 B9R1.35 CC1=CSC(B(O)O)=C1 AM803286 [0,2,0,0,0,0|1,0,0]=3 1132 B9R1.35 CC1=CSC(C(=O)O)=C1 AM803213 [0,2,0,0,0,0|0,0,1]=3 1133 B9R1.35 CC1=CSC(C(=O)O)=N1 AM20080346 [0,2,0,0,0,0|1,0,1]=4 1134 B9R1.35 CC1=NC=C(C(=O)O)S1 AM20100059 [0,2,0,0,0,0|1,0,1]=4 1135 B9R1.35 C[C@H](O)C1=CN(C)C=N1 AM20100669 [0,2,0,0,0,0|2,0,0]=4 1136 B9R1.35 NC1=CNC(C(=O)O)=C1 AMY16178 [0,2,0,0,0,0|1,0,1]=4 1137 B9R1.35 NC1=NC=C(C(=O)O)S1 AM20100074 [0,2,0,0,0,0|1,0,1]=4 1138 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AM20090749 [0,2,0,0,0,0|0,0,2]=4 1139 B9R1.35 O=C(O)C1=CC(Br)=CN1 AM20090350 [0,2,0,0,0,0|1,0,1]=4 1140 B9R1.35 O=C(O)C1=CC(Br)=CO1 AMY6482 [0,2,0,0,0,0|0,1,1]=4 1141 B9R1.35 O=C(O)C1=CC(Br)=CS1 AM20090001 [0,2,0,0,0,0|0,0,1]=3 1142 B9R1.35 O=C(O)C1=CC=C(Br)O1 AM20100426 [0,2,0,0,0,0|0,1,1]=4 1143 B9R1.35 O=C(O)C1=CC=C(Br)S1 AM20100699 [0,2,0,0,0,0|0,0,1]=3 1144 B9R1.35 O=C(O)C1=CC=C(Cl)O1 AMY3036 [0,2,0,0,0,0|0,1,1]=4 1145 B9R1.35 O=C(O)C1=CC=C(Cl)S1 AM20090264 [0,2,0,0,0,0|0,0,1]=3 1146 B9R1.35 O=C(O)C1=CC=C(F)S1 AMY23549 [0,2,0,0,0,0|0,0,1]=3 1147 B9R1.35 O=C(O)C1=CN=C(Br)S1 AM20100332 [0,2,0,0,0,0|1,0,1]=4 1148 B9R1.35 O=C(O)C1=CN=C(Cl)S1 AMY18838 [0,2,0,0,0,0|1,0,1]=4 1149 B9R1.35 O=C(O)C1=NC(Br)=CS1 AM20120282 [0,2,0,0,0,0|1,0,1]=4 1150 B9R1.35 O=C(O)C1=NC=C(Br)S1 AMY33909 [0,2,0,0,0,0|1,0,1]=4 1151 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 AMY20173 [0,2,0,0,0,0|1,0,1]=4 1152 B9R1.35 OB(O)C1=CC=C(Br)S1 AM84553 [0,2,0,0,0,0|1,0,0]=3 1153 B9R1.35 OB(O)C1=CC=C(Cl)S1 AM86069 [0,2,0,0,0,0|1,0,0]=3 1154 B9R1.132 O=CC1=C(Br)C(Br)=CS1 AMY31972 [0,2,0,0,0,0|0,0,2]=4 1155 B9R1.11 CCC(=O)C1=CC=CN1 AM802893 [0,2,0,0,0,0|2,0,0]=4 1156 B9R1.11 CCC(=O)C1=CC=CS1 AMY39126 [0,2,0,0,0,0|1,0,0]=3 1157 B9R1.11 CN[C@@H](C)C1=NC=CS1 AM101635 [0,2,0,0,0,0|2,0,0]=4 1158 B9R1.11 COC(=O)C1=CC=CN1 AM20080137 [0,2,0,0,0,0|1,0,1]=4 1159 B9R1.11 COC(=O)C1=CC=CO1 AM20100488 [0,2,0,0,0,0|0,1,1]=4 1160 B9R1.11 COC(=O)C1=CC=CS1 AMY10146 [0,2,0,0,0,0|0,0,1]=3 1161 B9R1.11 COC(=O)C1=CN=CS1 AM20080344 [0,2,0,0,0,0|1,0,1]=4 1162 B9R1.11 NCC(=O)C1=CC=CN1 AM101383 [0,2,0,0,0,0|2,0,0]=4 1163 B9R1.11 NCC(=O)C1=CC=CO1 AM101773 [0,2,0,0,0,0|1,1,0]=4 1164 B9R1.11 NCC(=O)C1=CC=CO1 AMY15091 [0,2,0,0,0,0|1,1,0]=4 1165 B9R1.11 NCC(=O)C1=CC=CS1 AM100654 [0,2,0,0,0,0|1,0,0]=3 1166 B9R1.11 NCC(=O)C1=CC=CS1 AM101175 [0,2,0,0,0,0|1,0,0]=3 1167 B9R1.11 NCC(=O)C1=NC=CS1 AM100290 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.11 NC[C@H](O)C1=CC=CO1 AM803620 [0,2,0,0,0,0|0,1,0]=3 1169 B9R1.11 NNC(=O)C1=CC=CS1 AM9858 [0,2,0,0,0,0|0,0,2]=4 1170 B9R1.11 O=C(CBr)C1=CC=CN1 AM101209 [0,2,0,0,0,0|2,0,0]=4 1171 B9R1.11 O=C(CBr)C1=CC=CO1 AM100277 [0,2,0,0,0,0|1,1,0]=4 1172 B9R1.11 O=C(CBr)C1=CC=CS1 AM90541 [0,2,0,0,0,0|1,0,0]=3 1173 B9R1.11 O=C(CBr)C1=NC=CS1 AM100666 [0,2,0,0,0,0|2,0,0]=4 1174 B9R1.11 OC[C@@H](O)C1=CC=CO1 AMY16113 [0,2,0,0,0,0|0,1,0]=3 1175 B9R1.19 CC(C)(O)C1=NC=CS1 AMY11229 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.19 FC(F)(F)C1=CC=CS1 AMY37084 [0,2,0,0,0,0|1,0,0]=3 1177 B9R1.19 FC(F)(F)C1=NC=CS1 AMY17553 [0,2,0,0,0,0|2,0,0]=4 1178 B9R1.19 F[B-](F)(F)C1=CC=CS1 AMY17886 [0,2,0,0,0,0|2,0,0]=4 1179 B9R1.19 NS(=O)(=O)C1=CC=CS1 AM20100568 [0,2,0,0,0,0|1,0,1]=4 1180 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 AM20080472 [0,2,0,0,0,0|1,0,1]=4 1181 B9R1.19 O=S(=O)(O)C1=CC=CS1 AM101285 [0,2,0,0,0,0|1,0,0]=3 1182 B9R1.19 O=S(=O)(O)C1=NC=CS1 AM100364 [0,2,0,0,0,0|2,0,0]=4 1183 B9R1.41 CC(=O)C1=C(N)C=CS1 AMY15081 [0,2,0,0,0,0|0,0,2]=4 1184 B9R1.41 CC1=C(B(O)O)SC=C1 AM803368 [0,2,0,0,0,0|1,0,0]=3 1185 B9R1.41 CC1=C(C(=O)O)OC=C1 AMY11077 [0,2,0,0,0,0|0,1,1]=4 1186 B9R1.41 CC1=C(C(=O)O)SC=C1 AM20090260 [0,2,0,0,0,0|0,0,1]=3 1187 B9R1.41 CC1=C(C(=O)O)SC=N1 AM20090160 [0,2,0,0,0,0|1,0,1]=4 1188 B9R1.41 CN1C=CC=C1C(=O)O AMY9276 [0,2,0,0,0,0|1,0,1]=4 1189 B9R1.41 C[C@H](O)C1=NC=CN1C AM100804 [0,2,0,0,0,0|2,0,0]=4 1190 B9R1.41 NC(=O)C1=C(O)C=CS1 AMY32355 [0,2,0,0,0,0|0,0,2]=4 1191 B9R1.41 O=C(O)C1=C(Br)C=CN1 AMY39753 [0,2,0,0,0,0|1,0,1]=4 1192 B9R1.41 O=C(O)C1=C(Br)C=CO1 AM20080374 [0,2,0,0,0,0|0,1,1]=4 1193 B9R1.41 O=C(O)C1=C(Br)C=CS1 AM20100700 [0,2,0,0,0,0|0,0,1]=3 1194 B9R1.41 O=C(O)C1=C(Br)N=CS1 AMY15996 [0,2,0,0,0,0|1,0,1]=4 1195 B9R1.41 O=C(O)C1=C(Cl)C=NS1 AMY18742 [0,2,0,0,0,0|1,0,1]=4 1196 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AMY1637 [0,2,0,0,0,0|1,0,1]=4 1197 B9R1.41 O=C(O)C1=C(F)C=CS1 AMY15182 [0,2,0,0,0,0|0,0,1]=3 1198 B9R1.41 O=C(O)C1=C(I)C=CS1 AM86013 [0,2,0,0,0,0|0,0,1]=3 1199 B9R1.41 O=C(O)C1=C(O)C=CS1 AMY42066 [0,2,0,0,0,0|0,0,1]=3 1200 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 AM9775 [0,2,0,0,0,0|1,0,1]=4 1201 B9R1.12 CNCCC1=CC=CS1 AMY21331 [0,2,0,0,0,0|1,0,0]=3 1202 B9R1.12 NCCSC1=CC=CS1 AM100980 [0,2,0,0,0,0|1,0,0]=3 1203 B9R1.12 OCCSC1=CC=CS1 AM100947 [0,2,0,0,0,0|0,0,0]=2 1204 B9R1.13 CC(=O)NC1=CC=CS1 AM20080217 [0,2,0,0,0,0|0,0,2]=4 1205 B9R1.13 NC(=O)CC1=CC=CN1 AM806500 [0,2,0,0,0,0|1,0,1]=4 1206 B9R1.13 O=C(Cl)CC1=CC=CS1 AM20100031 [0,2,0,0,0,0|0,0,1]=3 1207 B9R1.13 O=C(O)CC1=CC=CO1 AMY31140 [0,2,0,0,0,0|0,1,0]=3 1208 B9R1.13 O=C(O)CC1=CC=CS1 AM20090121 [0,2,0,0,0,0|0,0,0]=2 1209 B9R1.13 O=C(O)CC1=CC=NN1 AMY23473 [0,2,0,0,0,0|2,0,0]=4 1210 B9R1.13 O=C(O)CC1=CNC=N1 AM20090474 [0,2,0,0,0,0|2,0,0]=4 1211 B9R1.13 O=C(O)CC1=CNC=N1 AMY39839 [0,2,0,0,0,0|2,0,0]=4 1212 B9R1.13 O=C(O)CC1=COC=C1 AMY16301 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.13 O=C(O)CC1=CSC=C1 AM20100656 [0,2,0,0,0,0|2,0,0]=4 1214 B9R1.13 O=C(O)CC1=NC=CN1 AMY11886 [0,2,0,0,0,0|2,0,0]=4 1215 B9R1.13 O=C(O)CC1=NNC=C1 AMY23511 [0,2,0,0,0,0|2,0,0]=4 1216 B9R1.13 O=C(O)CN1C=CC=N1 AM20080433 [0,2,0,0,0,0|2,0,0]=4 1217 B9R1.33 CC1=C(CCN)SC=N1 AM807273 [0,2,0,0,0,0|2,0,0]=4 1218 B9R1.33 CC1=C(CCO)SC=N1 AM20080272 [0,2,0,0,0,0|1,0,0]=3 1219 B9R1.14 CCN1C=CC=C1CBr AM98829 [0,2,0,0,0,0|2,0,0]=4 1220 B9R1.14 CCN1C=CC=C1CCl AM98970 [0,2,0,0,0,0|2,0,0]=4 1221 B9R1.14 CCN1C=CC=C1CI AM98717 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.14 CCN1C=CC=C1CO AM101417 [0,2,0,0,0,0|1,0,0]=3 1223 B9R1.14 CCN1C=CC=C1CS AM99678 [0,2,0,0,0,0|1,1,0]=4 1224 B9R1.14 CCN1C=CN=C1CO AM101059 [0,2,0,0,0,0|2,0,0]=4 1225 B9R1.14 O=CC1=C(C=O)SC=C1 AMY19118 [0,2,0,0,0,0|0,0,2]=4 1226 B9R1.27 CC1=C(CO)N(C)N=C1 AMY33239 [0,2,0,0,0,0|2,0,0]=4 1227 B9R1.27 O=C1C=CC(=O)N1CO AMY415 [0,2,0,0,0,0|2,0,0]=4 1228 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,1,1,0,0|0,1,1]=4 1229 B7R1.24 C1=CC=CCC=C1 AMY17966 [0,0,1,1,0,0|2,0,0]=4 1230 B9R2.50 C1=CC2=C(C=C1)CC2 AM20041021 [0,0,0,1,0,1|2,0,0]=4 1231 B9R2.3 C1=CC2=C(C=CS2)S1 AM20090288 [0,1,0,1,0,0|0,1,1]=4