0 B9R1.15 CC1=C(CBr)C=CC=C1 NO14791 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CC1=C(NN)C=CC=C1 DY788973 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CC1=C(NN)C=CC=C1 NO19575 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CC1=CC=CC=C1C=O NO19114 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=CC=CN=C1C#N NO20234 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 CC1=CC=CN=C1C=O NO14987 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 CC1=CC=CN=C1CCl NO15725 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 CC1=CC=CN=C1CO NO19225 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.15 CC1=NC=CC=C1CBr DY520989 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 CC1=NC=CC=C1CO NO20145 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CCC1=CC=CN=C1C DY522489 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.15 CCC1=CN=CN=C1Cl DY559413 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.15 CCC1=NC=CN=C1Cl NO21430 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.15 CCC1=NC=NC=C1F NO19573 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 CNC1=C(Br)C=CC=C1 DY584260 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 CNC1=C(F)C=CC=C1 NO13895 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 CNC1=CC=CC=C1N NO22302 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 CNC1=NC=CC=C1Br NO17281 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.15 COC1=C(Br)C=CC=C1 NO19150 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.15 COC1=C(C)C=CC=C1 DY561483 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.15 COC1=C(F)C=CC=C1 NO19904 [0,0,0,0,0,0|3,1,0]=4 24 B9R1.15 COC1=C(N)C=CC=C1 NO11812 [0,0,0,0,0,0|3,1,0]=4 25 B9R1.15 COC1=CC=CN=C1Br NO19255 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.15 COC1=CC=CN=C1Cl NO19305 [0,0,0,0,0,0|2,1,0]=3 27 B9R1.15 COC1=CC=CN=C1F NO13044 [0,0,0,0,0,0|2,1,0]=3 28 B9R1.15 COC1=CC=CN=C1N NO17216 [0,0,0,0,0,0|2,1,0]=3 29 B9R1.15 COC1=CN=CN=C1Br NO17880 [0,0,0,0,0,0|3,1,0]=4 30 B9R1.15 COC1=CN=CN=C1N NO13116 [0,0,0,0,0,0|3,1,0]=4 31 B9R1.15 COC1=NC=CC=C1Br DY715700 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.15 COC1=NC=CC=C1Br NO19258 [0,0,0,0,0,0|2,1,0]=3 33 B9R1.15 COC1=NC=CC=C1Cl NO18705 [0,0,0,0,0,0|2,1,0]=3 34 B9R1.15 COC1=NC=CC=C1F NO19564 [0,0,0,0,0,0|2,1,0]=3 35 B9R1.15 COC1=NC=CC=C1I NO13512 [0,0,0,0,0,0|2,1,0]=3 36 B9R1.15 COC1=NC=CC=C1N NO19526 [0,0,0,0,0,0|2,1,0]=3 37 B9R1.15 COC1=NC=CN=C1Br NO12288 [0,0,0,0,0,0|1,1,0]=2 38 B9R1.15 COC1=NC=CN=C1Cl NO14291 [0,0,0,0,0,0|1,1,0]=2 39 B9R1.15 COC1=NC=CN=C1N DY441119 [0,0,0,0,0,0|1,1,0]=2 40 B9R1.15 CSC1=CC=CN=C1Cl DY452032 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.15 ClC1=CC=CN=C1CBr DY116292 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.15 ClC1=NC=CN=C1CBr DY709861 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.15 ClCC1=NC=CC=C1Br DY656902 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.15 ClCC1=NC=CN=C1Cl NO12698 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.15 N#CC1=C(Cl)N=CC=C1 NO18689 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.15 N#CC1=CC=CN=C1Br NO14990 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.15 N#CC1=CC=CN=C1N NO22990 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.15 N#CC1=CC=CN=C1O NO13920 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.15 N#CC1=NC=CC=C1Br NO14847 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.15 N#CC1=NC=CC=C1Cl NO18276 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.15 N#CC1=NC=CC=C1I NO12161 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.15 N#CC1=NC=CC=C1O NO21861 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.15 N#CC1=NC=CN=C1Br DY443142 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.15 N#CC1=NC=CN=C1Cl NO22668 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.15 N#CC1=NC=CN=C1N NO22107 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.15 N#CC1=NC=CN=C1O DY710797 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.15 NC1=C(C=O)C=CC=N1 NO19340 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.15 NC1=NC=CC=C1CO NO13983 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.15 NC1=NC=CN=C1C=O NO13122 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.15 NCC1=CC=CN=C1F DY538641 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.15 NCC1=NC=CC=C1Br DY713191 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.15 NCC1=NC=CC=C1N DY654384 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.15 NCC1=NC=CN=C1Cl NO14522 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.15 NCC1=NC=CN=C1Cl NO14728 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.15 NNC1=CC=CN=C1Br DY715022 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.15 NNC1=NC=CC=C1Cl NO20171 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.15 O=CC1=C(Br)N=CC=C1 NO17915 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.15 O=CC1=C(Cl)N=CC=C1 NO14208 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.15 O=CC1=C(F)N=CC=C1 NO18263 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.15 O=CC1=C(O)N=CC=C1 NO19011 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.15 OCC1=CC=CN=C1Cl NO14328 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.15 OCC1=CC=CN=C1F NO18697 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.15 OCC1=NC=CC=C1Cl NO17318 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.15 OCC1=NC=CC=C1O DY20200 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.2 BrCC1=NC=CN=C1 DY710893 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 C#CC1=NC=CC=C1 NO21539 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.2 C=CC1=CC=CN=C1 DY507011 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.2 CCC1=CC=CN=C1 NO22277 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 CCC1=NC=CN=C1 NO21534 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.2 CNC1=CC=CC=C1 NO11792 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 CNC1=CC=CN=C1 NO13856 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 CNC1=CN=CN=C1 DY553401 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 COC1=CC=CN=C1 NO22348 [1,0,0,0,0,0|1,1,0]=3 84 B8R1.2 COC1=CC=CN=N1 NO22347 [1,0,0,0,0,0|2,1,0]=4 85 B8R1.2 COC1=NC=CC=C1 NO18780 [1,0,0,0,0,0|1,1,0]=3 86 B8R1.2 COC1=NC=CN=C1 NO17887 [1,0,0,0,0,0|0,1,0]=2 87 B8R1.2 CSC1=NC=CC=N1 DY573207 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.2 CSC1=NC=CN=C1 DY541389 [1,0,0,0,0,0|0,0,0]=1 89 B8R1.2 ClCC1=CC=CN=C1 NO19291 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 ClCC1=NC=CC=C1 NO19289 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.2 ClSC1=CC=CC=C1 DY799077 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 N#CC1=CN=CC=C1 NO22263 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 N#CC1=NC=CC=C1 NO19642 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 N#CC1=NC=CN=C1 NO17380 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 NCC1=CC=CN=C1 NO14226 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 NCC1=NC=CC=C1 DY663911 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 NCC1=NC=CN=C1 DY710323 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.2 NCC1=NC=CN=C1 NO19691 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.2 NCC1=NC=CN=C1 NO20245 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.2 NNC1=CC=CN=C1 NO15491 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.2 NNC1=CC=CN=C1 NO22308 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 NNC1=NC=CC=C1 NO15589 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.2 NNC1=NC=CC=C1 NO21573 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 O=CC1=CN=CC=C1 NO19090 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 O=CC1=NC=CC=C1 NO18610 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 O=CC1=NC=CN=C1 NO18375 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 OCC1=CC=CN=C1 NO22409 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 OCC1=NC=CC=C1 NO19164 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 OCC1=NC=CN=C1 NO21749 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.5 BrC1=CC=CN=C1Br NO22670 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.5 BrC1=NC=CC=C1I DY110926 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.5 BrC1=NC=CN=C1Br NO12573 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.5 CC1=C(Br)C=CC=C1 DY20187 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.5 CC1=C(F)C=CC=C1 DY41519 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.5 CC1=C(I)C=CC=C1 NO19198 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.5 CC1=CC=CC=C1C DY41549 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.5 CC1=CC=CC=C1N NO20592 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.5 CC1=CC=CC=C1O NO11813 [1,0,0,0,0,0|2,1,0]=4 119 B8R1.5 CC1=CC=CN=C1Br NO23002 [1,0,0,0,0,0|2,0,0]=3 120 B8R1.5 CC1=CC=CN=C1C NO21050 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.5 CC1=CC=CN=C1Cl NO13857 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.5 CC1=CC=CN=C1F NO19328 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.5 CC1=CC=CN=C1N NO13775 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.5 CC1=CN=CN=C1Br NO12572 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.5 CC1=CN=CN=C1Cl NO19938 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.5 CC1=CN=CN=C1N NO12501 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.5 CC1=CN=CN=C1O NO10459 [1,0,0,0,0,0|2,1,0]=4 128 B8R1.5 CC1=NC=CC=C1Br DY20012 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.5 CC1=NC=CC=C1F NO19850 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.5 CC1=NC=CC=C1N NO19518 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.5 CC1=NC=CN=C1Br NO12416 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.5 CC1=NC=CN=C1C NO10108 [1,0,0,0,0,0|0,0,0]=1 133 B8R1.5 CC1=NC=CN=C1Cl NO17680 [1,0,0,0,0,0|1,0,0]=2 134 B8R1.5 CC1=NC=CN=C1N NO21232 [1,0,0,0,0,0|1,0,0]=2 135 B8R1.5 CC1=NC=CN=C1O NO21577 [1,0,0,0,0,0|0,1,0]=2 136 B8R1.5 CC1=NC=NC=C1Br NO11920 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.5 CC1=NC=NC=C1I NO12766 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.5 CC1=NC=NC=C1N NO19908 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.5 CN1N=CC=CC1=O DY736910 [1,0,0,0,0,0|2,1,0]=4 140 B8R1.5 ClC1=CC=CN=C1Br NO17272 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.5 ClC1=CC=CN=C1Cl NO13373 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.5 ClC1=NC=CC=C1Br NO22671 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.5 ClC1=NC=CC=C1I NO22694 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.5 FC1=CC=CN=C1Br NO14296 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.5 FC1=CC=CN=C1Cl NO17308 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.5 FC1=CC=CN=C1F NO18753 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.5 FC1=NC=CC=C1Br NO14198 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.5 FC1=NC=CC=C1Cl NO18743 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.5 FC1=NC=CC=C1I NO21866 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.5 IC1=NC=CN=C1I DY709897 [1,0,0,0,0,0|2,0,0]=3 151 B8R1.5 NC1=CC=CN=C1Br NO22729 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.5 NC1=CC=CN=C1Cl NO17686 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.5 NC1=CC=CN=C1F NO22742 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.5 NC1=CC=CN=C1I NO18159 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.5 NC1=CC=CN=C1N NO21785 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.5 NC1=NC=CC=C1Br NO17634 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.5 NC1=NC=CC=C1Cl NO17664 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.5 NC1=NC=CC=C1F NO13951 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.5 NC1=NC=CC=C1I NO13464 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.5 NC1=NC=CC=C1O NO22765 [1,0,0,0,0,0|2,1,0]=4 161 B8R1.5 NC1=NC=CN=C1Br NO21229 [1,0,0,0,0,0|2,0,0]=3 162 B8R1.5 NC1=NC=CN=C1Cl NO18423 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.5 NC1=NC=CN=C1F DY710113 [1,0,0,0,0,0|2,0,0]=3 164 B8R1.5 NC1=NC=CN=C1I NO12456 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.5 NC1=NC=CN=C1N DY517323 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.5 NC1=NC=CN=C1O NO21231 [1,0,0,0,0,0|1,1,0]=3 167 B8R1.5 OC1=CC=CN=C1Cl NO17508 [1,0,0,0,0,0|2,1,0]=4 168 B8R1.5 OC1=CC=CN=C1F NO13836 [1,0,0,0,0,0|2,1,0]=4 169 B8R1.5 OC1=CC=CN=C1I NO14294 [1,0,0,0,0,0|2,1,0]=4 170 B8R1.5 OC1=NC=CC=C1Br NO18703 [1,0,0,0,0,0|2,1,0]=4 171 B8R1.5 SC1=C(I)C=CC=C1 DY41410 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.2 CC1=C(F)C=CN=C1C=O DY431962 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.2 COC1=C(C)C(C)=CC=C1 DY20206 [0,1,0,0,0,0|2,1,0]=4 174 B10R1.2 COC1=C(C)C(O)=NC=N1 DY523593 [0,1,0,0,0,0|2,1,0]=4 175 B10R1.2 COC1=CC=CC(Br)=C1C DY442371 [0,1,0,0,0,0|2,1,0]=4 176 B10R1.2 COC1=CC=CC(N)=C1C NO10556 [0,1,0,0,0,0|2,1,0]=4 177 B10R1.2 COC1=NC=CC(N)=C1C DY655916 [0,1,0,0,0,0|1,1,0]=3 178 B10R1.2 COC1=NC=CC(N)=C1Cl DY657102 [0,1,0,0,0,0|2,1,0]=4 179 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 DY20573 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.2 CSC1=C(C)C(Cl)=NC=N1 DY518661 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.2 CSC1=C(F)C(Br)=CC=C1 DY451930 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.2 CSC1=CC=CC(O)=C1F DY451822 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.2 CSC1=NC=CC(=O)N1C DY693712 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.4 CC1=NC=CC=C1CCN DY653840 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [0,1,0,0,0,0|2,1,0]=4 186 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [0,1,0,0,0,0|2,1,0]=4 187 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [0,1,0,0,0,0|2,1,0]=4 188 B10R1.4 CCOC1=NC=CN=C1N NO21230 [0,1,0,0,0,0|1,1,0]=3 189 B10R1.4 CNCC1=CC=CN=C1C DY711673 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.20 CCC1=C(CO)C=CC=C1 DY451342 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.20 CNC1=C(OC)C=CC=C1 DY790233 [0,1,0,0,0,0|2,1,0]=4 194 B10R1.20 COC1=C(C=O)C=CC=N1 NO20317 [0,1,0,0,0,0|1,1,1]=4 195 B10R1.20 COC1=C(CCl)C=CC=C1 DY20247 [0,1,0,0,0,0|2,1,0]=4 196 B10R1.20 COC1=C(CN)C=CC=C1 NO15681 [0,1,0,0,0,0|2,1,0]=4 197 B10R1.20 COC1=C(OC)C=CC=C1 NO12067 [0,1,0,0,0,0|2,1,0]=4 198 B10R1.20 COC1=CC=CN=C1C#N DY10410 [0,1,0,0,0,0|1,1,1]=4 199 B10R1.20 COC1=CC=CN=C1CBr NO13321 [0,1,0,0,0,0|1,1,0]=3 200 B10R1.20 COC1=CC=CN=C1CN NO18076 [0,1,0,0,0,0|1,1,0]=3 201 B10R1.20 COC1=CC=CN=C1CO DY558123 [0,1,0,0,0,0|1,1,0]=3 202 B10R1.20 COC1=CC=CN=C1OC NO14783 [0,1,0,0,0,0|1,1,0]=3 203 B10R1.20 COC1=CN=CN=C1OC DY568485 [0,1,0,0,0,0|2,1,0]=4 204 B10R1.20 COC1=NC=CC=C1CCl DY606789 [0,1,0,0,0,0|1,1,0]=3 205 B10R1.20 COC1=NC=CC=C1CCl NO16832 [0,1,0,0,0,0|1,1,0]=3 206 B10R1.20 COC1=NC=CC=C1CN NO14780 [0,1,0,0,0,0|1,1,0]=3 207 B10R1.20 COC1=NC=CC=C1CN NO17327 [0,1,0,0,0,0|1,1,0]=3 208 B10R1.20 COC1=NC=CC=C1CO NO13650 [0,1,0,0,0,0|1,1,0]=3 209 B10R1.20 COC1=NC=CN=C1OC DY710611 [0,1,0,0,0,0|0,1,0]=2 210 B10R1.20 ICC1=NC=CN=C1CI DY710833 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.20 N#CC1=C(CBr)N=CC=C1 NO16812 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.20 N#CC1=NC=CC=C1CBr NO22182 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.20 OCC1=CC=CN=C1CO DY554235 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.25 C#CC1=NC=C(F)C=C1C DY714608 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 DY20334 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.25 CC1=C(C#N)C=CC(F)=N1 DY20007 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 DY443390 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.25 CC1=C(C=O)C=CC(N)=N1 DY430302 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.25 CC1=CC(Br)=CN=C1C#N NO13175 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.25 CC1=CC(Cl)=CN=C1C#N NO15581 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.25 CC1=CC(F)=CN=C1CN DY651571 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.25 CC1=CN=C(CCl)C(C)=C1 NO16524 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.25 CC1=NC(Cl)=CC=C1C=O DY453082 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.25 CCc1ncc(C)nc1C DY793773 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.25 CNC1=NC=C(C)C=C1Br DY716366 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.25 COC1=C(C)C=C(Br)C=C1 NO22652 [0,1,0,0,0,0|2,1,0]=4 227 B10R1.25 COC1=C(C)C=C(N)C=C1 NO18714 [0,1,0,0,0,0|2,1,0]=4 228 B10R1.25 COC1=C(C)C=C(N)C=N1 NO15363 [0,1,0,0,0,0|1,1,0]=3 229 B10R1.25 COC1=C(C)N=C(N)C=N1 DY710815 [0,1,0,0,0,0|0,1,0]=2 230 B10R1.25 COC1=C(Cl)C=C(N)C=N1 NO17094 [0,1,0,0,0,0|2,1,0]=4 231 B10R1.25 COC1=C(F)C=C(N)C=N1 NO15127 [0,1,0,0,0,0|2,1,0]=4 232 B10R1.25 COC1=CC=C(C)N=C1I DY527061 [0,1,0,0,0,0|2,1,0]=4 233 B10R1.25 COC1=CN=C(C)N=C1C NO16889 [0,1,0,0,0,0|2,1,0]=4 234 B10R1.25 COC1=NC=C(Br)C=C1Br NO18704 [0,1,0,0,0,0|2,1,0]=4 235 B10R1.25 COC1=NC=C(Br)C=C1C NO17558 [0,1,0,0,0,0|1,1,0]=3 236 B10R1.25 COC1=NC=C(Br)C=C1Cl NO19358 [0,1,0,0,0,0|2,1,0]=4 237 B10R1.25 COC1=NC=C(Br)C=C1F NO17560 [0,1,0,0,0,0|2,1,0]=4 238 B10R1.25 COC1=NC=C(Br)C=C1N DY451156 [0,1,0,0,0,0|2,1,0]=4 239 B10R1.25 COC1=NC=C(Br)C=C1N NO17340 [0,1,0,0,0,0|2,1,0]=4 240 B10R1.25 COC1=NC=C(C)C=C1Br NO12715 [0,1,0,0,0,0|2,1,0]=4 241 B10R1.25 COC1=NC=C(C)N=C1C NO15176 [0,1,0,0,0,0|0,1,0]=2 242 B10R1.25 COC1=NC=C(Cl)C=C1Br NO17800 [0,1,0,0,0,0|2,1,0]=4 243 B10R1.25 COC1=NC=C(F)C=C1Br NO19396 [0,1,0,0,0,0|2,1,0]=4 244 B10R1.25 COC1=NC=C(F)C=C1F DY508988 [0,1,0,0,0,0|2,1,0]=4 245 B10R1.25 COC1=NC=C(N)C=C1Br DY20010 [0,1,0,0,0,0|2,1,0]=4 246 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 DY585122 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.25 CSC1=C(Br)C=C(F)C=C1 DY452890 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.25 CSC1=C(C)C=C(O)C=C1 DY20571 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl NO12637 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.25 N#CC1=NC=C(N)N=C1Cl DY550089 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.25 NNC1=NC=C(Br)N=C1Cl DY574491 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.25 O=CC1=NC=C(Br)N=C1Cl DY533973 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.30 C#CC1=NC(Br)=CN=C1N NO12180 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.30 CC1=CC=C(Cl)N=C1C#N NO15377 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.30 CC1=NC=C(Br)C=C1CN DY656602 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.30 CC1=NC=C(Br)C=C1CO DY518829 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.30 CCC1=NC(C)=CC=C1O NO13984 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.30 CCC1=NC(C)=CN=C1C DY710767 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.30 CCC1=NC(Cl)=NC=C1C DY606669 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.30 COC1=C(Br)C=CC(N)=N1 DY429703 [0,1,0,0,0,0|2,1,0]=4 261 B10R1.30 COC1=C(Br)N=CC(N)=C1 NO12409 [0,1,0,0,0,0|2,1,0]=4 262 B10R1.30 COC1=CC(Br)=CN=C1Cl NO10254 [0,1,0,0,0,0|2,1,0]=4 263 B10R1.30 COC1=CC(Br)=CN=C1N NO14023 [0,1,0,0,0,0|2,1,0]=4 264 B10R1.30 COC1=CC(C)=CN=C1O DY657387 [0,1,0,0,0,0|2,1,0]=4 265 B10R1.30 COC1=NC(Br)=CC=C1Br DY533289 [0,1,0,0,0,0|2,1,0]=4 266 B10R1.30 COC1=NC(Br)=CC=C1N NO18540 [0,1,0,0,0,0|2,1,0]=4 267 B10R1.30 COC1=NC(Br)=CN=C1I NO16000 [0,1,0,0,0,0|1,1,0]=3 268 B10R1.30 COC1=NC(Br)=CN=C1N NO12445 [0,1,0,0,0,0|1,1,0]=3 269 B10R1.30 COC1=NC(Br)=CNC1=O DY578181 [0,1,0,0,0,0|1,1,1]=4 270 B10R1.30 COC1=NC(C)=CC=C1Br NO19284 [0,1,0,0,0,0|2,1,0]=4 271 B10R1.30 COC1=NC(Cl)=CC=C1Br NO16211 [0,1,0,0,0,0|2,1,0]=4 272 B10R1.30 COC1=NC(Cl)=CC=C1N NO10669 [0,1,0,0,0,0|2,1,0]=4 273 B10R1.30 COC1=NC(Cl)=CN=C1N NO12869 [0,1,0,0,0,0|1,1,0]=3 274 B10R1.30 COC1=NC(F)=CC=C1Br DY429643 [0,1,0,0,0,0|2,1,0]=4 275 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 DY453532 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.30 CSC1=C(Br)C=CC(F)=C1 DY525105 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.30 CSC1=C(C)C=CC(Br)=C1 DY452878 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.30 CSC1=CC(F)=CN=C1Br DY715124 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.30 N#CC1=NC(Br)=CN=C1N NO18047 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.30 N#CC1=NC(Cl)=CN=C1Cl NO16841 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.30 N#CC1=NC(Cl)=CN=C1N NO12855 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.30 N#CC1=NC(I)=CN=C1Br DY710101 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.30 NC1=NC=C(Br)N=C1C=O NO15016 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.61 CC(=O)C1=C(C)C=CC=C1 NO19710 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.61 CC(=O)C1=CC=CN=C1Br NO18506 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.61 CC(=O)C1=CC=CN=C1C DY652208 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.61 CC(=O)C1=CC=CN=C1Cl NO18365 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.61 CC(=O)C1=CN=CN=C1C NO17792 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.61 CC(=O)C1=NC=CC=C1Br NO16209 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.61 CC(=O)C1=NC=CC=C1F NO16198 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.61 CC(=O)C1=NC=CC=C1O NO14450 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.61 CC(=O)C1=NC=CN=C1N NO15534 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.61 CC(N)C1=CC=CN=C1F DY714055 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NO18975 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.61 CC1=C(C(C)N)C=CC=C1 DY788943 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.61 CC1=C(C(N)=O)C=CC=N1 NO22408 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.61 CC1=C([C@H](C)O)C=CC=C1 DY822244 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.61 CC1=CC=CN=C1C(=O)O NO19680 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.61 CC1=CC=CN=C1C(C)N DY604773 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.61 CC1=CC=CN=C1C(N)=O DY657435 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] DY10428 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.61 CC1=NC=CN=C1C(=O)O NO19744 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.61 CC1=NC=CN=C1N(C)C DY710281 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.61 CN(C)C1=NC=CC=C1N DY606531 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.61 CN(C)C1=NC=CN=C1N NO21223 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.61 C[C@@H](N)C1=NC=CC=C1Br DY621531 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.61 C[C@H](O)C1=CC=CN=C1N DY581181 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.61 NC(=O)C1=NC=CN=C1Cl NO15991 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.61 NC(=O)C1=NC=CN=C1N NO14571 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.61 NC1=NC=CN=C1C(=O)O NO22108 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.61 NC1=NC=CN=C1[N+](=O)[O-] DY710125 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.61 O=C(O)C1=NC=CN=C1Br NO12631 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.61 O=C(O)C1=NC=CN=C1Cl NO17325 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.61 O=C(O)C1=NC=CN=C1I NO14926 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.61 O=C(O)C1=NC=CN=C1O NO17542 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.245 CC1=C(C=O)C(Br)=CC=N1 DY713119 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.245 COC1=C(Cl)C=CC=C1C DY822112 [0,1,0,0,0,0|2,1,0]=4 318 B10R1.245 COC1=C(Cl)C=CN=C1N DY658414 [0,1,0,0,0,0|2,1,0]=4 319 B10R1.245 COC1=C(I)C=CN=C1Br DY655126 [0,1,0,0,0,0|2,1,0]=4 320 B10R1.245 COC1=C(N)C=CN=C1C DY608435 [0,1,0,0,0,0|1,1,0]=3 321 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [0,0,0,1,0,0|2,1,0]=4 322 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [0,0,0,1,0,0|3,0,0]=4 323 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [0,0,0,1,0,0|2,0,0]=3 324 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [0,0,0,1,0,0|2,0,0]=3 325 B10R2.7 C1=CN=C2CN=NC2=C1 DY675469 [0,0,0,1,0,0|3,0,0]=4 326 B10R2.7 C1=CN=C2CNCC2=C1 DY565581 [0,0,0,1,0,0|3,0,0]=4 327 B10R2.7 C1=CN=C2CNCC2=C1 NO15341 [0,0,0,1,0,0|3,0,0]=4 328 B10R2.7 C1=CN=C2NC=CC2=N1 NO22516 [0,0,0,1,0,0|1,0,2]=4 329 B10R2.7 C1=CN=C2NC=NC2=N1 DY545763 [0,0,0,1,0,0|2,0,1]=4 330 B10R2.7 C1=CN=C2NN=CC2=N1 NO14372 [0,0,0,1,0,0|2,0,1]=4 331 B10R2.7 C1=CN=C2SC=CC2=C1 NO14590 [0,0,0,1,0,0|1,0,2]=4 332 B10R2.7 C1=CN=C2SC=CC2=N1 NO12514 [0,0,0,1,0,0|0,0,2]=3 333 B8R1.11 C#CC1=C(C)N=CS1 DY785770 [0,0,0,0,1,0|2,0,1]=4 334 B8R1.11 C=CC1=C(C)N=CS1 DY531999 [0,0,0,0,1,0|2,0,1]=4 335 B8R1.11 CC1=C(C=O)C=CO1 DY759980 [0,0,0,0,1,0|3,0,0]=4 336 B8R1.11 CC1=C(CN)SC=C1 DY609391 [0,0,0,0,1,0|3,0,0]=4 337 B8R1.11 CC1=C(CO)N=CN1 DY546951 [0,0,0,0,1,0|2,0,1]=4 338 B8R1.11 CC1=C(CO)NC=N1 NO14250 [0,0,0,0,1,0|2,0,1]=4 339 B8R1.11 CC1=C(CO)SC=N1 DY537087 [0,0,0,0,1,0|3,0,0]=4 340 B8R1.11 CC1=NNC=C1C=O NO22355 [0,0,0,0,1,0|3,0,0]=4 341 B8R1.11 CC1=NOC=C1CN DY773325 [0,0,0,0,1,0|3,0,0]=4 342 B8R1.11 CC1=NOC=C1CO DY773595 [0,0,0,0,1,0|3,0,0]=4 343 B8R1.11 CC1=NON=C1CN DY508484 [0,0,0,0,1,0|3,0,0]=4 344 B8R1.11 CCC1=CNN=C1N NO14342 [0,0,0,0,1,0|3,0,0]=4 345 B8R1.11 CCC1=NNC=C1Br DY607581 [0,0,0,0,1,0|3,0,0]=4 346 B8R1.11 CCC1=NNC=C1C DY647288 [0,0,0,0,1,0|2,0,0]=3 347 B8R1.11 CCN1C=CN=C1C DY540057 [0,0,0,0,1,0|2,0,0]=3 348 B8R1.11 CCN1N=CC=C1I DY645242 [0,0,0,0,1,0|3,0,0]=4 349 B8R1.11 CN1C=CN=C1C=O NO17882 [0,0,0,0,1,0|3,0,0]=4 350 B8R1.11 CN1C=CN=C1CBr DY725449 [0,0,0,0,1,0|3,0,0]=4 351 B8R1.11 CN1C=CN=C1CCl DY726283 [0,0,0,0,1,0|3,0,0]=4 352 B8R1.11 CN1C=CN=C1CO NO13833 [0,0,0,0,1,0|3,0,0]=4 353 B8R1.11 CN1N=CC=C1C=O NO18205 [0,0,0,0,1,0|3,0,0]=4 354 B8R1.11 CN1N=CC=C1CCl DY607925 [0,0,0,0,1,0|3,0,0]=4 355 B8R1.11 CN1N=CN=C1CN DY769947 [0,0,0,0,1,0|3,0,0]=4 356 B8R1.11 CN1N=CN=C1NN DY611632 [0,0,0,0,1,0|3,0,0]=4 357 B8R1.11 CNC1=NC=CN1C DY725947 [0,0,0,0,1,0|2,0,0]=3 358 B8R1.11 CSC1=C(Br)C=CS1 DY452122 [0,0,0,0,1,0|2,0,0]=3 359 B7R1.3 BrC1=CC=CN=C1 NO19218 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.3 BrC1=NC=CC=C1 NO17815 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.3 BrC1=NC=CN=C1 NO15000 [2,0,0,0,0,0|1,0,0]=3 362 B7R1.3 CC1=CC=CN=N1 NO22374 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 CC1=CN=CN=C1 NO18851 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 CC1=CN=NC=C1 NO22983 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 CC1=NC=NC=C1 NO19795 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 ClC1=NC=CC=C1 DY20672 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 ClC1=NC=CN=C1 NO15454 [2,0,0,0,0,0|1,0,0]=3 368 B7R1.3 FC1=CC=CN=C1 DY20006 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 FC1=NC=CC=C1 DY20005 [2,0,0,0,0,0|2,0,0]=4 370 B7R1.3 IC1=NC=CC=C1 NO14565 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 IC1=NC=CN=C1 DY425096 [2,0,0,0,0,0|1,0,0]=3 372 B7R1.3 NC1=CC=CN=C1 NO19073 [2,0,0,0,0,0|2,0,0]=4 373 B7R1.3 NC1=NC=CN=C1 NO16102 [2,0,0,0,0,0|1,0,0]=3 374 B7R1.3 NC1=NC=CN=N1 DY459438 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 OC1=CC=CN=C1 NO17813 [2,0,0,0,0,0|1,1,0]=4 376 B7R1.3 OC1=NC=CC=C1 NO21602 [2,0,0,0,0,0|1,1,0]=4 377 B7R1.3 OC1=NC=CN=C1 NO21601 [2,0,0,0,0,0|0,1,0]=3 378 B7R1.3 SC1=CC=CN=N1 DY546327 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 CC1=CN=C(C=O)C=N1 NO12781 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.1 CC1=CN=C(CO)C=N1 NO12383 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [1,1,0,0,0,0|1,0,0]=3 388 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [1,1,0,0,0,0|1,1,0]=4 391 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [1,1,0,0,0,0|1,1,0]=4 392 B9R1.1 COC1=CN=C(Br)C=N1 NO21377 [1,1,0,0,0,0|0,1,0]=3 393 B9R1.1 COC1=CN=C(Cl)C=N1 NO14927 [1,1,0,0,0,0|0,1,0]=3 394 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [1,1,0,0,0,0|1,1,0]=4 395 B9R1.1 COC1=CN=C(N)C=N1 NO19706 [1,1,0,0,0,0|0,1,0]=3 396 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [1,1,0,0,0,0|1,1,0]=4 397 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [1,1,0,0,0,0|1,1,0]=4 398 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [1,1,0,0,0,0|1,1,0]=4 399 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [1,1,0,0,0,0|1,1,0]=4 400 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [1,1,0,0,0,0|1,1,0]=4 401 B9R1.1 CSC1=CC=C(I)C=C1 DY585121 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.1 CSC1=CC=C(O)C=C1 DY20743 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.1 CSC1=CN=C(C)C=N1 DY710851 [1,1,0,0,0,0|0,0,0]=2 405 B9R1.1 CSC1=NC=C(Br)C=N1 NO18002 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.1 CSC1=NC=C(O)C=N1 NO12580 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 N#CC1=CN=C(N)C=N1 NO17828 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 N#CC1=NC=C(Cl)N=C1 NO12402 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 NCC1=NC=C(Cl)N=C1 DY504699 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 NCC1=NC=C(Cl)N=C1 DY532911 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 OCC1=NC=C(Cl)N=C1 NO14569 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 CC1=CN=CC(C#N)=N1 NO17295 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.2 CC1=CN=CC(CCl)=N1 NO17402 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 CC1=CN=CC(CO)=N1 NO15787 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 CNC1=NC(Cl)=CN=C1 NO10695 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.2 CNC1=NC=CC(F)=C1 DY714974 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.2 CNC1=NC=CC(I)=C1 DY452194 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.2 CNC1=NC=CC(N)=C1 NO16967 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.2 COC1=CC(C)=CN=C1 DY451846 [1,1,0,0,0,0|1,1,0]=4 426 B9R1.2 COC1=CC=CC(Br)=N1 NO14301 [1,1,0,0,0,0|1,1,0]=4 427 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [1,1,0,0,0,0|1,1,0]=4 428 B9R1.2 COC1=CC=CC(F)=N1 NO13652 [1,1,0,0,0,0|1,1,0]=4 429 B9R1.2 COC1=CC=CC(I)=N1 NO18075 [1,1,0,0,0,0|1,1,0]=4 430 B9R1.2 COC1=CC=CC(N)=N1 NO13845 [1,1,0,0,0,0|1,1,0]=4 431 B9R1.2 COC1=CN=CC(Br)=N1 DY431625 [1,1,0,0,0,0|0,1,0]=3 432 B9R1.2 COC1=CN=CC(Cl)=N1 NO21483 [1,1,0,0,0,0|0,1,0]=3 433 B9R1.2 COC1=CN=CC(N)=C1 NO19973 [1,1,0,0,0,0|1,1,0]=4 434 B9R1.2 COC1=CN=CC(N)=N1 NO12541 [1,1,0,0,0,0|0,1,0]=3 435 B9R1.2 COC1=CN=CC(O)=C1 NO17819 [1,1,0,0,0,0|1,1,0]=4 436 B9R1.2 COC1=NC(C)=CC=C1 NO15396 [1,1,0,0,0,0|1,1,0]=4 437 B9R1.2 COC1=NC(C)=CN=C1 DY710569 [1,1,0,0,0,0|0,1,0]=3 438 B9R1.2 COC1=NC=CC(Br)=C1 NO22650 [1,1,0,0,0,0|1,1,0]=4 439 B9R1.2 COC1=NC=CC(C)=C1 NO21637 [1,1,0,0,0,0|1,1,0]=4 440 B9R1.2 COC1=NC=CC(Cl)=C1 NO19313 [1,1,0,0,0,0|1,1,0]=4 441 B9R1.2 COC1=NC=CC(F)=C1 NO11908 [1,1,0,0,0,0|1,1,0]=4 442 B9R1.2 COC1=NC=CC(I)=C1 NO19594 [1,1,0,0,0,0|1,1,0]=4 443 B9R1.2 COC1=NC=CC(N)=C1 NO19525 [1,1,0,0,0,0|1,1,0]=4 444 B9R1.2 CSC1=CC(Cl)=NC=N1 NO12488 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 CSC1=CC(N)=CC=C1 DY20570 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.2 CSC1=CN=CC(Br)=C1 DY452608 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.2 CSC1=NC(Cl)=NC=C1 NO19934 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 CSC1=NC=CC(=O)N1 NO22771 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 CSC1=NC=CC(Br)=N1 DY425588 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.2 CSC1=NC=CC(Cl)=C1 NO12493 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.2 CSC1=NC=CC(Cl)=N1 NO18332 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.2 CSC1=NC=CC(N)=N1 NO20913 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.2 CSC1=NC=CC(O)=N1 NO12612 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.2 N#CC1=NC(Br)=CN=C1 NO12208 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.2 N#CC1=NC(Cl)=CN=C1 NO19986 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.2 N#CC1=NC(F)=CN=C1 DY430096 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.2 N#CC1=NC(N)=CN=C1 NO12200 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 NCC1=NC(Cl)=CN=C1 DY106438 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 OCC1=NC(Cl)=CN=C1 NO16124 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.6 CC(=O)C1=NC=CN=C1 NO19346 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.6 CC(Br)C1=NC=CN=C1 DY710527 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.6 CC(N)C1=NC=CN=C1 NO12997 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.6 NC(=O)C1=NC=CN=C1 NO13379 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.6 O=C(O)C1=NC=CN=C1 NO17531 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.6 O=[N+]([O-])C1=NC=CN=C1 DY710017 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.8 CCOC1=NC=CN=C1 NO21524 [1,1,0,0,0,0|0,1,0]=3 478 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,1,0,0,0,0|1,1,0]=4 482 B9R1.8 CSCC1=NC=CN=C1 DY710935 [1,1,0,0,0,0|0,0,0]=2 483 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [1,1,0,0,0,0|1,0,0]=3 484 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.3 CC1=C(Br)C=CN=C1Cl NO21442 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.3 CC1=C(C)C(Br)=CC=C1 NO19738 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.3 CC1=C(C)C(N)=NC=C1 NO14451 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.3 CC1=C(C)C(O)=NC=C1 DY431552 [1,1,0,0,0,0|1,1,0]=4 491 B9R1.3 CC1=C(F)C=CN=C1Cl DY450904 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.3 CC1=C(I)C=CN=C1Cl DY425783 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.3 CC1=C(I)C=CN=C1F NO18757 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.3 CC1=CC=CC(C)=C1S DY789459 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.3 CC1=NC=CC(Br)=C1C NO15313 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.3 CC1=NC=CC(Br)=C1Cl DY658207 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.3 CC1=NC=CC(Br)=C1F NO17321 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.3 CC1=NC=CC(Br)=C1N DY713107 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.3 CC1=NC=CC(C)=C1O DY430625 [1,1,0,0,0,0|1,1,0]=4 500 B9R1.3 CC1=NC=CC(Cl)=C1F DY711385 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.3 CC1=NC=CC(Cl)=C1I DY658407 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.3 CC1=NC=CC(Cl)=C1N NO15139 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.3 CC1=NC=CC(I)=C1Cl DY586507 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.3 CC1=NC=CC(N)=C1C NO14420 [1,1,0,0,0,0|1,0,0]=3 505 B9R1.3 CC1=NC=CC(N)=C1N NO21697 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.3 CC1=NC=CC(O)=C1N DY512937 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.3 CC1=NC=CC(O)=C1O DY656055 [1,1,0,0,0,0|1,1,0]=4 508 B9R1.69 BrC1=CN=C(Br)C(Br)=N1 NO15065 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.69 CC1=C(Br)C=C(N)C=N1 NO18819 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=C(Br)C=CC(N)=N1 NO23028 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.69 CC1=C(Br)C=CC(O)=N1 NO18359 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=C(Br)N=CC(N)=C1 NO19464 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=C(Br)N=CC(N)=N1 NO14357 [1,1,0,0,0,0|1,0,0]=3 514 B9R1.69 CC1=C(C)C=C(S)C=C1 DY535125 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.69 CC1=C(C)N=C(N)C=N1 DY115982 [1,1,0,0,0,0|0,0,0]=2 516 B9R1.69 CC1=C(Cl)N=C(N)C=C1 NO21753 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.69 CC1=C(Cl)N=CC(N)=C1 NO14239 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.69 CC1=C(Cl)N=CC(N)=N1 DY555291 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.69 CC1=C(Cl)N=CC(O)=C1 NO15214 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.69 CC1=C(I)N=CC(N)=C1 DY661206 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.69 CC1=C(S)C=CC(F)=C1 DY584410 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=CC(Br)=CN=C1Br NO18978 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=CC(Br)=CN=C1F NO14095 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=CC(Br)=CN=C1N DY20013 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=CC(Br)=CN=C1O NO18541 [1,1,0,0,0,0|1,1,0]=4 526 B9R1.69 CC1=CC(Cl)=CN=C1Br NO15514 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.69 CC1=CC(Cl)=CN=C1Cl NO15205 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=CC(Cl)=CN=C1F NO14231 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.69 CC1=CC(Cl)=CN=C1N NO13921 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.69 CC1=CC(Cl)=CN=C1O DY20516 [1,1,0,0,0,0|1,1,0]=4 531 B9R1.69 CC1=CC(F)=CN=C1Br NO21373 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=CC(F)=CN=C1Cl NO14240 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.69 CC1=CC(F)=CN=C1N NO17590 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=CC(I)=CN=C1N NO13801 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.69 CC1=CC=C(Br)C(C)=N1 NO20363 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.69 CC1=CC=C(Br)N=C1N DY443537 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.69 CC1=CC=C(C)C(Cl)=N1 NO16816 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.69 CC1=CC=C(C)C(N)=N1 NO16045 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.69 CC1=CC=C(Cl)N=C1Br NO16574 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.69 CC1=CC=C(Cl)N=C1Cl NO15124 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.69 CC1=CC=C(Cl)N=C1I DY660983 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.69 CC1=CC=C(N)C(C)=N1 NO19572 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=CN=C(Br)C(C)=C1 DY20801 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=CN=C(C)C(C)=C1 NO20999 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.69 CC1=CN=C(C)C(I)=N1 DY427440 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.69 CC1=CN=C(C)C(N)=C1 DY578583 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.69 CC1=CN=C(C)C(N)=N1 NO15990 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.69 CC1=CN=C(Cl)C(C)=N1 NO21418 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 NO17128 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.69 CC1=CN=C(Cl)C(N)=N1 DY105904 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.69 CC1=CN=C(N)C(C)=C1 DY427372 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.69 CC1=CN=C(N)C(Cl)=N1 DY578133 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=CN=C(O)C(C)=N1 NO12599 [1,1,0,0,0,0|0,1,0]=3 554 B9R1.69 CC1=NC(Br)=CC=C1Br NO19042 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.69 CC1=NC(Br)=CC=C1N NO13574 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.69 CC1=NC(Br)=CC=C1O NO15297 [1,1,0,0,0,0|1,1,0]=4 557 B9R1.69 CC1=NC(Br)=CN=C1N NO12476 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.69 CC1=NC(Cl)=CC=C1F NO19395 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.69 CC1=NC(Cl)=CC=C1N NO13794 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.69 CC1=NC(F)=CC=C1Br NO19026 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.69 CC1=NC(F)=CC=C1O DY452518 [1,1,0,0,0,0|1,1,0]=4 562 B9R1.69 CC1=NC(I)=CC=C1O DY431760 [1,1,0,0,0,0|1,1,0]=4 563 B9R1.69 CC1=NC(I)=CN=C1Cl DY586485 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.69 CC1=NC=C(Br)C=C1Br NO13993 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.69 CC1=NC=C(Br)C=C1N NO10276 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.69 CC1=NC=C(Br)C=C1O NO15115 [1,1,0,0,0,0|1,1,0]=4 567 B9R1.69 CC1=NC=C(Cl)N=C1C DY442143 [1,1,0,0,0,0|0,0,0]=2 568 B9R1.69 CC1=NC=C(Cl)N=C1Cl DY578187 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.69 ClC1=CN=C(Cl)C(Cl)=N1 NO15064 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 NO15008 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.69 ClC1=NC=C(Br)N=C1Br NO14485 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.69 NC1=NC(Br)=C(I)N=C1 DY710821 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.69 NC1=NC(Br)=CN=C1Br NO12767 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.69 NC1=NC(Br)=CN=C1Cl NO14343 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.69 NC1=NC(Cl)=C(Br)N=C1 NO12181 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.69 NC1=NC(Cl)=C(Cl)N=C1 DY710161 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.69 NC1=NC=C(Br)N=C1Br NO15427 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.69 NC1=NC=C(Br)N=C1Cl NO12621 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.69 NC1=NC=C(Br)N=C1N NO10306 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.69 NC1=NC=C(Cl)N=C1Br NO12450 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.69 NC1=NC=C(Cl)N=C1Cl NO12179 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.69 NC1=NC=C(I)N=C1Cl DY444161 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.69 OC1=NC=C(Br)N=C1Br NO21971 [1,1,0,0,0,0|1,1,0]=4 584 B9R1.14 CCN1C=CN=C1CCl DY609930 [0,1,0,0,1,0|2,0,0]=4 585 B9R1.22 CCC1=C(C)N=C(N)S1 NO18463 [0,1,0,0,1,0|2,0,0]=4 586 B9R1.22 CNC1=CC(C)=NN1C DY650280 [0,1,0,0,1,0|2,0,0]=4 587 B9R1.22 COC1=NC(Cl)=NN1C DY607689 [0,1,0,0,1,0|1,1,0]=4 588 B9R1.33 CC1=C(CCO)SC=N1 NO19563 [0,1,0,0,1,0|2,0,0]=4 589 B9R1.33 CC1=NC=CN1CCBr DY610893 [0,1,0,0,1,0|2,0,0]=4 590 B9R1.33 CCOC1=C(C)N=CO1 DY20466 [0,1,0,0,1,0|1,1,0]=4 591 B9R1.33 CN1C=CN=C1CCO DY606807 [0,1,0,0,1,0|2,0,0]=4 592 B9R1.33 CNCC1=NON=C1C DY772851 [0,1,0,0,1,0|2,0,0]=4 593 B9R1.41 CC(=O)C1=NC=CN1C DY575049 [0,1,0,0,1,0|2,0,0]=4 594 B9R1.41 CC(C)C1=NC=CN1C NO20757 [0,1,0,0,1,0|2,0,0]=4 595 B9R1.41 CC(N)C1=NC=NN1C DY603742 [0,1,0,0,1,0|2,0,0]=4 596 B9R1.41 CC1=CNN=C1C(C)C DY736177 [0,1,0,0,1,0|2,0,0]=4 597 B11R1.265 COC1=NC=CC(Cl)=C1OC DY714980 [0,2,0,0,0,0|1,1,0]=4 598 B11R1.265 CSC1=CC=CC(Br)=C1CO DY449488 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.278 CSC1=NC=C(I)C(=O)N1C DY694950 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.17 CCNCC1=NC=CN=C1Cl DY710263 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.41 COC1=NC=CC=C1CC#N DY653828 [0,2,0,0,0,0|1,1,0]=4 602 B11R1.41 COCC1=CC=CN=C1CCl DY714212 [0,2,0,0,0,0|1,1,0]=4 603 B11R1.81 CCOC1=C(C)C=C(O)C=N1 DY715682 [0,2,0,0,0,0|1,1,0]=4 604 B11R1.81 CCOC1=C(C)N=C(N)C=C1 NO10572 [0,2,0,0,0,0|1,1,0]=4 605 B11R1.182 CCNC1=NC(Br)=CN=C1N NO21262 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.222 CNC(=O)C1=NC=CN=C1N DY455616 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.222 COC(=O)C1=C(C)N=CC=C1 NO21004 [0,2,0,0,0,0|1,1,0]=4 608 B11R1.222 COC(=O)C1=NC=CN=C1Br NO12415 [0,2,0,0,0,0|1,1,0]=4 609 B11R1.222 COC(=O)C1=NC=CN=C1C DY585289 [0,2,0,0,0,0|0,1,0]=3 610 B11R1.222 COC(=O)C1=NC=CN=C1Cl NO18208 [0,2,0,0,0,0|1,1,0]=4 611 B11R1.222 COC(=O)C1=NC=CN=C1N NO21912 [0,2,0,0,0,0|1,1,0]=4 612 B11R1.222 COC(=O)C1=NC=CN=C1O NO11607 [0,2,0,0,0,0|1,1,0]=4 613 B11R1.37 COC1=C(OC)N=CC(N)=C1 NO15128 [0,2,0,0,0,0|1,1,0]=4 614 B11R1.37 COC1=C(OC)N=CC(O)=C1 DY509696 [0,2,0,0,0,0|1,1,0]=4 615 B11R1.37 COC1=CC(Cl)=CN=C1OC DY713233 [0,2,0,0,0,0|1,1,0]=4 616 B11R1.37 COC1=NC(Br)=CC=C1CN NO17510 [0,2,0,0,0,0|1,1,0]=4 617 B11R1.37 COC1=NC(Br)=CC=C1CO NO17509 [0,2,0,0,0,0|1,1,0]=4 618 B11R1.37 COC1=NC(N)=CN=C1C#N DY507560 [0,2,0,0,0,0|0,1,1]=4 619 B11R1.37 COC1=NC=C(Br)C=C1CO DY443486 [0,2,0,0,0,0|1,1,0]=4 620 B11R1.37 COC1=NC=C(Br)N=C1NN DY710473 [0,2,0,0,0,0|1,1,0]=4 621 B11R1.37 COC1=NC=C(Br)N=C1OC NO14846 [0,2,0,0,0,0|0,1,0]=3 622 B11R1.53 CN(C)C1=CC=CN=C1CN DY654378 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.53 COC1=CC=CN=C1C(C)=O NO16598 [0,2,0,0,0,0|1,1,0]=4 624 B11R1.53 COC1=NC=CC=C1C(C)N DY652190 [0,2,0,0,0,0|1,1,0]=4 625 B11R1.53 COC1=NC=CN=C1C(=O)O NO16473 [0,2,0,0,0,0|0,1,1]=4 626 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C DY652460 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 NO15178 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br DY710731 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.277 CC1=NC(C)=C(C)N=C1C=O DY459732 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.277 COC1=C(Cl)N=C(Cl)C(N)=N1 DY710389 [0,2,0,0,0,0|1,1,0]=4 631 B11R1.277 COC1=NC(Br)=C(Cl)N=C1N DY709639 [0,2,0,0,0,0|1,1,0]=4 632 B11R1.277 COC1=NC(C)=C(C)N=C1N DY710119 [0,2,0,0,0,0|1,1,0]=4 633 B11R1.279 CCC1=NC=C(C#N)C=C1C DY712687 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.279 COC1=C(C)C=C(C#N)C=N1 DY451096 [0,2,0,0,0,0|1,1,0]=4 635 B11R1.279 CSC1=C(C)C=C(C#N)C=C1 DY112206 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.464 CSC1=C(Cl)C=C(Cl)C=C1C DY109978 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.167 CC(=O)C1=NC(C)=CC=C1C DY111076 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 DY105730 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.167 CN(C)C1=NC(Br)=CN=C1N NO21261 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.167 CN(C)C1=NC(F)=CN=C1F DY710587 [0,2,0,0,0,0|2,0,0]=4 641 B9R2.3 C1=CN2CCCC2=N1 DY562383 [0,0,0,1,1,0|2,0,0]=4 642 B9R2.3 C1=NN2CCCC2=C1 NO12798 [0,0,0,1,1,0|2,0,0]=4 643 B11R2.106 ClC1=C2CCCC2=NC=C1 NO12915 [0,1,0,1,0,0|2,0,0]=4 644 B11R2.106 OC1=CC=NC2=C1CCN2 DY534099 [0,1,0,1,0,0|2,0,0]=4 645 B11R2.10 ClC1=NC2=NC=CN=C2S1 DY510218 [0,1,0,1,0,0|1,0,1]=4 646 B11R2.10 NC1=NC2=NC=CN=C2S1 NO17613 [0,1,0,1,0,0|1,0,1]=4 647 B11R2.20 C1=CC2=C(C=C1)SCCN2 DY459726 [0,1,0,1,0,0|2,0,0]=4 648 B11R2.20 C1=CC2=C(CCCC2)N=C1 NO13407 [0,1,0,1,0,0|2,0,0]=4 649 B11R2.20 C1=CC2=C(CCNC2)N=C1 NO14841 [0,1,0,1,0,0|2,0,0]=4 650 B11R2.20 C1=CC2=C(N=C1)NCCN2 NO12464 [0,1,0,1,0,0|2,0,0]=4 651 B11R2.20 C1=CN=C2NCCCC2=C1 NO20465 [0,1,0,1,0,0|2,0,0]=4 652 B11R2.20 C1=NC2=C(CCCC2)N=C1 NO14173 [0,1,0,1,0,0|1,0,0]=3 653 B11R2.1 CC1CCC2=NC=CN=C21 DY543411 [0,1,0,1,0,0|1,0,0]=3 654 B11R2.1 CC1CNC2=NC=CC=C21 DY739061 [0,1,0,1,0,0|2,0,0]=4 655 B11R2.1 N[C@H]1CCC2=NC=CC=C21 DY515745 [0,1,0,1,0,0|2,0,0]=4 656 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,1,0,1,0,0|2,0,0]=4 657 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,1,0,1,0,0|2,0,0]=4 658 B11R2.1 OC1CCC2=CC=CN=C21 NO10573 [0,1,0,1,0,0|2,0,0]=4 659 B11R2.36 BrC1=CN=C2CCCC2=C1 NO22164 [0,1,0,1,0,0|2,0,0]=4 660 B11R2.36 BrC1=CN=C2NCCC2=C1 DY533421 [0,1,0,1,0,0|2,0,0]=4 661 B11R2.36 BrC1=CN=C2NCCC2=C1 NO18623 [0,1,0,1,0,0|2,0,0]=4 662 B11R2.36 IC1=CN=C2CCCC2=C1 DY675123 [0,1,0,1,0,0|2,0,0]=4 663 B11R2.36 NC1=CN=C2CCCC2=C1 DY100354 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.1 CCC1=NC=CN1 NO21533 [1,0,0,0,1,0|1,0,1]=4 665 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,0,1,0|2,0,0]=4 666 B7R1.1 CNC1=CC=CS1 DY786838 [1,0,0,0,1,0|2,0,0]=4 667 B7R1.1 CNC1=NNC=C1 DY555147 [1,0,0,0,1,0|2,0,0]=4 668 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,0,1,0|1,1,0]=4 669 B7R1.1 COC1=CNC=N1 DY725797 [1,0,0,0,1,0|0,1,1]=4 670 B7R1.1 COC1=CSC=C1 NO22351 [1,0,0,0,1,0|1,1,0]=4 671 B7R1.1 COC1=NC=CS1 NO22597 [1,0,0,0,1,0|1,1,0]=4 672 B7R1.1 CSC1=NC=CO1 NO17723 [1,0,0,0,1,0|1,0,0]=3 673 B7R1.4 CC1=C(Br)SC=C1 NO13700 [1,0,0,0,1,0|2,0,0]=4 674 B7R1.4 CC1=C(C)NC=N1 DY20435 [1,0,0,0,1,0|0,0,1]=3 675 B7R1.4 CC1=C(C)NC=N1 DY575295 [1,0,0,0,1,0|0,0,1]=3 676 B7R1.4 CC1=C(C)SC=N1 NO22784 [1,0,0,0,1,0|1,0,0]=3 677 B7R1.4 CC1=CC=NN1C NO19266 [1,0,0,0,1,0|1,0,0]=3 678 B7R1.4 CC1=CNN=C1C NO13346 [1,0,0,0,1,0|1,0,0]=3 679 B7R1.4 CC1=NNC=C1Br NO15947 [1,0,0,0,1,0|2,0,0]=4 680 B7R1.4 CC1=NNC=C1I NO22358 [1,0,0,0,1,0|2,0,0]=4 681 B7R1.4 CC1=NOC=C1N NO17073 [1,0,0,0,1,0|2,0,0]=4 682 B7R1.4 CN1C=CN=C1I NO21609 [1,0,0,0,1,0|2,0,0]=4 683 B7R1.4 CN1N=CC=C1Br NO12124 [1,0,0,0,1,0|2,0,0]=4 684 B7R1.4 CN1N=CC=C1N NO22609 [1,0,0,0,1,0|2,0,0]=4 685 B7R1.4 CN1N=CC=C1O NO10399 [1,0,0,0,1,0|1,1,0]=4