0 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 222044 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 040578 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 038557 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.1081 BrC1=CC=CC2=C1C=NC=C2 038559 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 048864 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.1081 BrC1=CC=NC2=C1C=CC=C2 048863 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 067513 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 001208 [0,0,0,0,0,0|1,0,0]=1 8 B12R2.1081 CC1=CC=CC2=CC=CC=C12 099064 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 CC1=CC=NC2=CC=CC=C12 079132 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 CC1=NC=NC2=CC=CC=C21 180152 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 049298 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 092866 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 040234 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.1081 FC1=CC=CC2=CC=CC=C12 002697 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.1081 IC1=CC=CC2=CC=CC=C12 005439 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 216423 [0,0,0,0,0,0|2,0,0]=2 17 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 064975 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 092958 [0,0,0,0,0,0|1,0,0]=1 19 B12R2.1081 NC1=CC=CC2=NC=CC=C12 048215 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 NC1=CC=NC2=CC=CC=C12 076699 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.1081 NC1=CN=CC2=CC=CC=C12 064972 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.1081 NC1=NC=CC2=CC=CN=C21 023746 [0,0,0,0,0,0|2,0,0]=2 23 B12R2.1081 O=C1CCCC2=CC=CN=C12 040148 [0,0,0,0,0,0|0,0,4]=4 24 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 208940 [0,0,0,0,0,0|1,0,0]=1 25 B12R2.1081 OC1=C2C=CC=CC2=NC=N1 013606 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 077034 [0,0,0,0,0,0|3,0,0]=3 27 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 076698 [0,0,0,0,0,0|2,0,0]=2 28 B12R2.1081 OC1=C2CCCCC2=CC=C1 242836 [0,0,0,0,0,0|1,0,3]=4 29 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 093034 [0,0,0,0,0,0|0,0,0]=0 30 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 099744 [0,0,0,0,0,0|0,0,0]=0 31 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 076330 [0,0,0,0,0,0|2,0,0]=2 32 B12R2.1081 OC1=CC=CC2=C1NCCC2 025404 [0,0,0,0,0,0|0,0,4]=4 33 B12R2.1081 OC1=CC=NC2=CC=CC=C12 050335 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 093707 [0,0,0,0,0,0|2,0,0]=2 35 B12R2.1081 OC1CCCC2=C1N=CC=C2 040155 [0,0,0,0,0,0|0,0,4]=4 36 B12R2.1081 [O-][N+]1=CC=NC2=CC=CC=C21 184748 [0,0,0,0,0,0|3,0,1]=4 37 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 227722 [1,0,0,0,0,0|2,0,0]=3 38 B11R2.20 C1=CC2=CN=CN=C2C=C1 078701 [1,0,0,0,0,0|1,0,0]=2 39 B11R2.20 C1=CC2=NC=CN=C2N=C1 069188 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.20 C1=CC=C2C=CC=CC2=C1 240561 [1,0,0,0,0,0|1,0,0]=2 41 B11R2.20 C1=CC=C2N=CC=CC2=C1 104868 [1,0,0,0,0,0|0,0,0]=1 42 B11R2.20 C1=CC=C2N=CC=CC2=C1 227698 [1,0,0,0,0,0|0,0,0]=1 43 B11R2.20 C1=CC=C2N=CC=NC2=C1 079216 [1,0,0,0,0,0|1,0,0]=2 44 B11R2.20 C1=CN=C2N=CC=CC2=C1 077859 [1,0,0,0,0,0|1,0,0]=2 45 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 009010 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.32 CC1=CC=C2C=CC=CC2=C1Br 321883 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.32 CC1=CC=C2C=CC=CC2=C1O 078657 [0,1,0,0,0,0|1,0,0]=2 48 B13R2.32 NC1=C2C=CC=CC2=CC=C1Br 318213 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.32 NC1=C2C=CC=CC2=CC=C1O 079515 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br 067517 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.32 O=C1C(Br)=COC2=CC=CC=C12 012055 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br 093063 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br 079704 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 018455 [0,1,0,0,0,0|1,0,0]=2 55 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 077193 [0,1,0,0,0,0|0,0,0]=1 56 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 005481 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 104620 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.162 NC1=NC2=C(O)C=CC=C2C=C1 216425 [0,1,0,0,0,0|0,0,0]=1 59 B13R2.162 O=C1C=CC2=C(N1)C(Br)=CC=C2 304965 [0,1,0,0,0,0|1,0,1]=3 60 B13R2.162 O=C1C=COC2=CC=C(F)C=C12 012053 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.162 OC1=CC2=C(O)C=CC=C2C=C1 131300 [0,1,0,0,0,0|1,0,0]=2 62 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 067569 [0,1,0,0,0,0|2,0,0]=3 63 B13R2.162 OC1=CC=NC2=CC=C(F)C=C12 005483 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 040217 [0,1,0,0,0,0|0,0,0]=1 65 B13R2.162 OC1=NC=CC2=CC=C(Br)C=C21 105626 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 180254 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.328 CC1=CC(Cl)=NC2=C1C=CC=C2 236951 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 216596 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 223437 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 068834 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 093224 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)N1 217675 [0,1,0,0,0,0|2,0,1]=4 73 B13R2.328 NC1=CC2=C(C=CC=C2)C(Br)=N1 038835 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 209309 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.328 OC1=CC(O)=NC2=C1C=CC=C2 209285 [0,1,0,0,0,0|2,0,0]=3 76 B13R2.342 CC1=CC=CC2=C1NC=CC2=O 216066 [0,1,0,0,0,0|1,0,1]=3 77 B13R2.342 ClC1=NC=CC2=C1C=CC=C2Br 079069 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.342 FC1=C2N=CC=C(Cl)C2=CC=C1 005482 [0,1,0,0,0,0|1,0,0]=2 79 B13R2.342 OC1=CC=CC2=C(O)C=CC=C12 216672 [0,1,0,0,0,0|1,0,0]=2 80 B13R2.342 OC1=CC=NC2=C(F)C=CC=C12 005484 [0,1,0,0,0,0|1,0,0]=2 81 B13R2.371 BrC1=C2C=CC=CC2=C(Br)C=C1 043687 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.371 CC1=C2C=CC=CC2=C(Br)C=C1 225222 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.371 FC1=CC=C(Br)C2=CC=CC=C12 004229 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.371 NC1=C2C=CC=CC2=C(Br)C=C1 036981 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.371 NC1=C2C=CC=CC2=C(O)C=C1 013411 [0,1,0,0,0,0|1,0,0]=2 86 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 050421 [0,1,0,0,0,0|1,0,1]=3 87 B13R2.371 OC1=C2C=CC=CC2=C(Br)C=C1 076220 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.371 OC1=C2C=CC=CC2=C(O)C=C1 242215 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.371 OC1=C2N=CC=CC2=C(Br)C=C1 211192 [0,1,0,0,0,0|0,0,0]=1 90 B13R2.371 OC1=CC=C(F)C2=C1C=CC=C2 046108 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.1613 BrCC1=C2C=CC=CC2=CC=C1 091837 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 227723 [0,1,0,0,0,0|1,0,0]=2 93 B13R2.1613 ClCC1=C2C=CC=CC2=CC=C1 224633 [0,1,0,0,0,0|2,0,0]=3 94 B13R2.1613 N#CC1=CC=CC2=C1C=CN=C2 078778 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 092602 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.1613 O=CC1=CC=CC2=C1C=CN=C2 079310 [0,1,0,0,0,0|2,0,1]=4 97 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 065345 [0,1,0,0,0,0|1,0,1]=3 98 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 209238 [0,1,0,0,0,0|1,0,0]=2 99 B13R2.4818 BrC1=CC=CC2=CC=CC(Br)=C12 214784 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.4818 ClC1=CC=CC2=C1C(Cl)=CC=N2 237460 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.4818 NC1=CC=CC2=CC=CC(N)=C12 235685 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.4818 OC1=CC=CC2=CC=CC(O)=C12 079488 [0,1,0,0,0,0|1,0,0]=2 103 B13R2.4818 OC1=NC=NC2=CC=CC(F)=C21 008336 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.4818 [O-][N+]1=CC=CC2=CC=CC(O)=C21 068833 [0,1,0,0,0,0|0,0,1]=2 105 B13R2.5179 ClC1=CC=C2C(Cl)=CC=NC2=C1 078074 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.5179 ClC1=CC=NC2=CC(Br)=CC=C12 076401 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.5179 ClC1=NC=CC2=C1C=CC(Br)=C2 079981 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.5179 O=C1NC=CC2=C1C=CC(Br)=C2 076344 [0,1,0,0,0,0|2,0,1]=4 109 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 078987 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.5179 OC1=CC=C2C(=C1)N=CN=C2O 305550 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.17 C=CCOC1=C(F)C=CC=C1 021714 [0,0,1,0,0,0|2,0,1]=4 112 B11R1.53 O=CC1=CC=CC=C1C(=O)O 078754 [0,0,1,0,0,0|3,0,0]=4 113 B11R2.1 BrC1=CN=C2C=CC=NN12 076861 [0,0,0,0,1,0|3,0,0]=4 114 B11R2.1 BrC1=CNC2=CC=CN=C12 048860 [0,0,0,0,1,0|2,0,0]=3 115 B11R2.1 CC1=CNC2=CC=CC=C12 068788 [0,0,0,0,1,0|3,0,0]=4 116 B11R2.1 CC1=COC2=CC=CC=C12 013629 [0,0,0,0,1,0|3,0,0]=4 117 B11R2.1 CC1=CSC2=CC=CC=C12 018819 [0,0,0,0,1,0|3,0,0]=4 118 B11R2.1 CN1C=CC2=C1C=CC=C2 208790 [0,0,0,0,1,0|3,0,0]=4 119 B11R2.1 OC1=NOC2=CC=CC=C21 017185 [0,0,0,0,1,0|3,0,0]=4 120 B11R2.106 BrC1=C2C=CNC2=CC=C1 023567 [0,0,0,0,1,0|2,0,0]=3 121 B11R2.106 BrC1=C2NC=CC2=CC=C1 011592 [0,0,0,0,1,0|1,0,1]=3 122 B11R2.106 BrC1=C2NC=CC2=CC=N1 040499 [0,0,0,0,1,0|2,0,1]=4 123 B11R2.106 BrC1=CC=CC2=C1C=NN2 067565 [0,0,0,0,1,0|3,0,0]=4 124 B11R2.106 BrC1=CC=CC2=C1NN=C2 076803 [0,0,0,0,1,0|2,0,1]=4 125 B11R2.106 BrC1=CC=CC2=NC=CN12 078780 [0,0,0,0,1,0|3,0,0]=4 126 B11R2.106 BrC1=CC=NC2=C1C=CN2 067575 [0,0,0,0,1,0|3,0,0]=4 127 B11R2.106 CC1=C2NC=CC2=CC=C1 023374 [0,0,0,0,1,0|1,0,1]=3 128 B11R2.106 CC1=CC=CC2=C1C=CN2 016242 [0,0,0,0,1,0|2,0,0]=3 129 B11R2.106 ClC1=C2C=CNC2=NC=C1 049069 [0,0,0,0,1,0|3,0,0]=4 130 B11R2.106 ClC1=C2NC=CC2=CC=C1 040176 [0,0,0,0,1,0|1,0,1]=3 131 B11R2.106 ClC1=C2NC=CC2=CC=N1 040181 [0,0,0,0,1,0|2,0,1]=4 132 B11R2.106 ClC1=C2NN=CC2=CC=C1 067652 [0,0,0,0,1,0|2,0,1]=4 133 B11R2.106 ClC1=C2SC=CC2=NC=C1 067591 [0,0,0,0,1,0|3,0,0]=4 134 B11R2.106 ClC1=CC=CC2=C1C=CN2 016227 [0,0,0,0,1,0|2,0,0]=3 135 B11R2.106 ClC1=NC=CC2=C1C=CO2 067601 [0,0,0,0,1,0|3,0,0]=4 136 B11R2.106 ClC1=NC=CC2=C1C=CS2 038568 [0,0,0,0,1,0|3,0,0]=4 137 B11R2.106 ClC1=NC=CC2=C1SC=C2 092098 [0,0,0,0,1,0|3,0,0]=4 138 B11R2.106 ClC1=NC=CN2C=CN=C12 063012 [0,0,0,0,1,0|3,0,0]=4 139 B11R2.106 FC1=C2C=CNC2=CC=C1 005409 [0,0,0,0,1,0|2,0,0]=3 140 B11R2.106 FC1=C2C=NNC2=CC=C1 067588 [0,0,0,0,1,0|3,0,0]=4 141 B11R2.106 FC1=C2NC=CC2=CC=C1 005411 [0,0,0,0,1,0|1,0,1]=3 142 B11R2.106 NC1=C2C=CNC2=CC=C1 023427 [0,0,0,0,1,0|2,0,0]=3 143 B11R2.106 NC1=C2NC=CC2=CC=C1 032501 [0,0,0,0,1,0|1,0,1]=3 144 B11R2.106 NC1=C2NN=CC2=CC=C1 065057 [0,0,0,0,1,0|2,0,1]=4 145 B11R2.106 NC1=C2SC=NC2=CC=C1 077325 [0,0,0,0,1,0|3,0,0]=4 146 B11R2.106 O=C1NC=CN2C=CC=C12 093137 [0,0,0,0,1,0|2,0,1]=4 147 B11R2.106 OC1=C2N=CSC2=CC=C1 221627 [0,0,0,0,1,0|1,0,0]=2 148 B11R2.106 OC1=C2SC=CC2=NC=C1 069158 [0,0,0,0,1,0|2,0,0]=3 149 B11R2.106 OC1=CC=CC2=C1C=CN2 016235 [0,0,0,0,1,0|1,0,0]=2 150 B11R2.106 OC1=CC=CC2=C1NC=C2 016159 [0,0,0,0,1,0|0,0,1]=2 151 B11R2.106 OC1=CC=NC2=C1C=CN2 077058 [0,0,0,0,1,0|2,0,0]=3 152 B10R1.2 O=CC1=CC=CC(O)=C1Cl 228235 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.2 O=CC1=CC=CC(O)=C1O 091514 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,0,1,0,0,0|0,0,1]=3 155 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [1,0,1,0,0,0|1,0,1]=4 156 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.17 C=CCCC1=CC=CC=C1 342184 [1,0,1,0,0,0|1,0,1]=4 158 B10R1.17 C=CCOC1=CC=CC=C1 242682 [1,0,1,0,0,0|1,0,1]=4 159 B10R1.17 C=CCSC1=CC=CC=C1 003665 [1,0,1,0,0,0|1,0,1]=4 160 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [1,0,1,0,0,0|1,0,0]=3 161 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [1,0,1,0,0,0|1,0,0]=3 162 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [1,0,1,0,0,0|1,0,1]=4 163 B10R1.20 C=CC1=CC=CC=C1C=C 245965 [1,0,1,0,0,0|1,0,0]=3 164 B10R1.61 CC1=CC=CN=C1C(=O)O 009287 [1,0,1,0,0,0|1,0,1]=4 165 B10R1.61 NC1=CC=CN=C1C(=O)O 046510 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.61 O=C(O)C1=NC=CC=C1Br 012713 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.61 O=C(O)C1=NC=CC=C1Cl 010712 [1,0,1,0,0,0|2,0,0]=4 168 B10R1.61 O=C(O)C1=NC=CC=C1F 032521 [1,0,1,0,0,0|2,0,0]=4 169 B10R1.61 O=C(O)C1=NC=CC=C1O 046828 [1,0,1,0,0,0|2,0,0]=4 170 B10R1.245 O=CC1=C(Cl)C=CC=C1O 033179 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.245 O=CC1=C(F)C=CC=C1O 013018 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.245 O=CC1=C(O)C=CC=C1Br 076166 [1,0,1,0,0,0|2,0,0]=4 173 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [0,1,1,0,0,0|2,0,0]=4 174 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [0,1,1,0,0,0|2,0,0]=4 176 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [0,1,1,0,0,0|1,0,0]=3 177 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [0,1,1,0,0,0|2,0,0]=4 178 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [0,1,1,0,0,0|2,0,0]=4 179 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [1,1,0,0,0,0|0,0,0]=2 180 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 038558 [1,1,0,0,0,0|2,0,0]=4 181 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [1,1,0,0,0,0|1,0,0]=3 182 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 076676 [1,1,0,0,0,0|0,0,0]=2 183 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 036991 [1,1,0,0,0,0|2,0,0]=4 184 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 067503 [1,1,0,0,0,0|0,0,0]=2 185 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 037028 [1,1,0,0,0,0|1,0,0]=3 186 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [1,1,0,0,0,0|0,0,0]=2 187 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 077574 [1,1,0,0,0,0|1,0,0]=3 188 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 208923 [1,1,0,0,0,0|2,0,0]=4 189 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [1,1,0,0,0,0|1,0,0]=3 190 B12R2.24 CC1=CC=C2N=CC=NC2=C1 002740 [1,1,0,0,0,0|1,0,0]=3 191 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [1,1,0,0,0,0|0,0,0]=2 192 B12R2.24 CC1=NC2=CC=CC=C2N=C1 303297 [1,1,0,0,0,0|1,0,0]=3 193 B12R2.24 CC1=NC2=NC=CC=C2C=C1 208943 [1,1,0,0,0,0|1,0,0]=3 194 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 049700 [1,1,0,0,0,0|0,0,0]=2 195 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 067518 [1,1,0,0,0,0|1,0,0]=3 196 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [1,1,0,0,0,0|1,0,0]=3 197 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [1,1,0,0,0,0|0,0,0]=2 198 B12R2.24 NC1=CC2=CC=CN=C2C=C1 045222 [1,1,0,0,0,0|0,0,0]=2 199 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [1,1,0,0,0,0|1,0,0]=3 200 B12R2.24 NC1=CC=C2C=NC=CC2=C1 036790 [1,1,0,0,0,0|2,0,0]=4 201 B12R2.24 NC1=CC=C2N=CC=NC2=C1 038894 [1,1,0,0,0,0|1,0,0]=3 202 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [1,1,0,0,0,0|0,0,0]=2 203 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [1,1,0,0,0,0|2,0,0]=4 204 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [1,1,0,0,0,0|0,0,1]=3 205 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [1,1,0,0,0,0|1,0,0]=3 206 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [1,1,0,0,0,0|1,0,0]=3 207 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [1,1,0,0,0,0|0,0,0]=2 208 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [1,1,0,0,0,0|1,0,0]=3 209 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [1,1,0,0,0,0|0,0,0]=2 210 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [1,1,0,0,0,0|2,0,0]=4 211 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [1,1,0,0,0,0|0,0,0]=2 212 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [1,1,0,0,0,0|1,0,0]=3 213 B12R2.1 OCC1=CNC2=C1C=CC=C2 045221 [0,1,0,0,1,0|2,0,0]=4 214 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 024314 [0,1,0,0,1,0|1,0,1]=4 215 B12R2.202 CC1=C2N=C(N)SC2=CC=C1 091552 [0,1,0,0,1,0|2,0,0]=4 216 B12R2.202 NC1=NC2=C(Cl)C=CC=C2S1 013399 [0,1,0,0,1,0|2,0,0]=4 217 B12R2.202 NC1=NC2=C(O)C=CC=C2S1 011359 [0,1,0,0,1,0|1,0,0]=3 218 B12R2.221 CC1=CC=C(C)C2=C1C=CC2 034861 [0,1,0,0,1,0|1,0,1]=4 219 B12R2.246 CC1=C2N=CNC2=CC(Br)=C1 240519 [0,1,0,0,1,0|2,0,0]=4 220 B12R2.246 NC1=CC(Br)=C2NC=CC2=C1 048012 [0,1,0,0,1,0|1,0,1]=4 221 B12R2.315 CCC1=CC=CC2=C1NC=C2 050046 [0,1,0,0,1,0|1,0,1]=4 222 B12R2.315 COC1=C2NC=CC2=CC=C1 023388 [0,1,0,0,1,0|0,0,1]=3 223 B12R2.315 COC1=CC=CC2=C1NN=C2 225680 [0,1,0,0,1,0|1,0,1]=4 224 B12R2.315 N#CC1=C2C=CNC2=CC=C1 068801 [0,1,0,0,1,0|2,0,0]=4 225 B12R2.315 O=CC1=C2C=CNC2=CC=C1 040134 [0,1,0,0,1,0|1,0,1]=4 226 B12R2.315 O=CC1=CC=CC2=C1NC=C2 016158 [0,1,0,0,1,0|0,0,2]=4 227 B14R2.92 COC1=CC=C2C=CC=CC2=C1Br 231149 [0,2,0,0,0,0|2,0,0]=4 228 B14R2.203 O=CC1=C(O)C=CC2=C1C=CC=C2 358223 [0,2,0,0,0,0|1,0,1]=4 229 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O 049845 [0,2,0,0,0,0|1,0,1]=4 230 B14R2.7724 O=C1C=C(Cl)C(=O)C2=C1C=CC=C2 235819 [0,2,0,0,0,0|1,0,1]=4 231 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 209636 [0,2,0,0,0,0|1,0,1]=4 232 B14R2.7724 OC1=C2C=CC=CC2=C(Cl)C=C1Cl 229060 [0,2,0,0,0,0|1,0,0]=3 233 B14R2.7724 OC1=C2N=CC=CC2=C(Br)C=C1Br 093555 [0,2,0,0,0,0|0,0,0]=2 234 B14R2.7724 OC1=C2N=CC=CC2=C(Cl)C=C1Cl 226561 [0,2,0,0,0,0|0,0,0]=2 235 B14R2.142 COC1=CC2=C(N)C=CC=C2C=C1 226190 [0,2,0,0,0,0|2,0,0]=4 236 B14R2.142 O=CC1=NC2=C(O)C=CC=C2C=C1 221569 [0,2,0,0,0,0|0,0,0]=2 237 B14R2.8045 CC1=CC(O)=NC2=C1C=CC=C2C 185309 [0,2,0,0,0,0|1,0,0]=3 238 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 211704 [0,2,0,0,0,0|2,0,0]=4 239 B14R2.8235 O=C1C=C(O)C2=CC(Br)=CC=C2O1 012114 [0,2,0,0,0,0|2,0,0]=4 240 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 012113 [0,2,0,0,0,0|2,0,0]=4 241 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 209765 [0,2,0,0,0,0|2,0,0]=4 242 B14R2.1131 CC1=CC=C(C#N)C2=CC=CC=C12 122600 [0,2,0,0,0,0|2,0,0]=4 243 B14R2.1131 CC1=CC=C(CCl)C2=CC=CC=C12 018403 [0,2,0,0,0,0|2,0,0]=4 244 B14R2.1131 N#CC1=CC=C(F)C2=CC=CC=C12 004588 [0,2,0,0,0,0|2,0,0]=4 245 B14R2.1131 O=CC1=CC=C(O)C2=CC=CC=C12 146600 [0,2,0,0,0,0|1,0,0]=3 246 B14R2.7150 N#CCC1=CC=CC2=CC=CC=C21 069119 [0,2,0,0,0,0|2,0,0]=4 247 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 024761 [0,2,0,0,0,0|1,0,0]=3 248 B14R2.7150 S=C=NC1=CC=CC2=CC=CC=C21 018893 [0,2,0,0,0,0|1,1,0]=4 249 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 079037 [0,2,0,0,0,0|1,0,1]=4 250 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 219511 [0,2,0,0,0,0|2,0,0]=4 251 B14R2.31359 CC(O)C1=C2C=CC=CC2=CC=C1 303344 [0,2,0,0,0,0|1,0,0]=3 252 B14R2.31359 CN(C)C1=CC=CC2=CC=CC=C21 003644 [0,2,0,0,0,0|2,0,0]=4 253 B14R2.31359 C[C@@H](N)C1=C2C=CC=CC2=CC=C1 046443 [0,2,0,0,0,0|2,0,0]=4 254 B14R2.31359 C[C@H](N)C1=C2C=CC=CC2=CC=C1 046444 [0,2,0,0,0,0|2,0,0]=4 255 B14R2.31359 NC(=O)C1=CC=CC2=CC=CC=C21 018890 [0,2,0,0,0,0|1,0,1]=4 256 B14R2.31359 NC(=S)C1=CC=CC2=CC=CC=C21 097864 [0,2,0,0,0,0|1,1,0]=4 257 B14R2.31359 O=C(Cl)C1=CC=CC2=C1C=CC=C2 013172 [0,2,0,0,0,0|1,0,1]=4 258 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 209592 [0,2,0,0,0,0|1,0,0]=3 259 B14R2.31359 O=C(O)C1=C2C=CC=NC2=CC=C1 066328 [0,2,0,0,0,0|2,0,0]=4 260 B14R2.31359 O=C(O)C1=C2N=CC=CC2=CC=C1 093264 [0,2,0,0,0,0|0,0,0]=2 261 B14R2.31359 O=C(O)C1=CC=NC2=CC=CC=C21 066325 [0,2,0,0,0,0|2,0,0]=4 262 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 019060 [0,2,0,0,0,0|2,0,0]=4 263 B14R2.31359 O=[N+]([O-])C1=C2C=CC=CC2=CC=C1 099415 [0,2,0,0,0,0|1,0,1]=4 264 B14R2.31359 OB(O)C1=CC=CC2=C1C=CC=C2 011006 [0,2,0,0,0,0|1,0,0]=3 265 B14R2.31359 OB(O)C1=CC=CC2=C1C=NC=C2 223739 [0,2,0,0,0,0|2,0,0]=4 266 B14R2.31359 OB(O)C1=CC=CC2=C1N=CC=C2 011059 [0,2,0,0,0,0|0,0,0]=2 267 B12R2.2 C1=CC=C(C2=CC=CS2)N=C1 017372 [0,0,1,1,0,0|0,1,0]=3 268 B12R2.32 O=CC1=CC2=CC=CC=C2O1 036892 [0,0,1,1,0,0|2,0,0]=4 269 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 033756 [0,0,1,1,0,0|1,1,0]=4 270 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 214935 [0,1,0,1,0,0|2,0,0]=4 271 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CC3 995212 [0,1,0,1,0,0|2,0,0]=4 272 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,0,1,0|0,0,1]=3 273 B10R2.7 C1=CC2=C(C=C1)NN=C2 044571 [1,0,0,0,1,0|1,0,1]=4 274 B10R2.7 C1=CC2=C(C=C1)[N-]N=N2 180127 [1,0,0,0,1,0|2,0,0]=4 275 B10R2.7 C1=CC2=C(C=CN2)N=C1 036833 [1,0,0,0,1,0|1,0,0]=3 276 B10R2.7 C1=CC2=CC=NC=C2N1 040034 [1,0,0,0,1,0|1,0,1]=4 277 B10R2.7 C1=CC2=CN=CC=C2N1 040035 [1,0,0,0,1,0|1,0,1]=4 278 B10R2.7 C1=CC2=CN=CN2C=C1 219977 [1,0,0,0,1,0|2,0,0]=4 279 B10R2.7 C1=CC2=NSN=C2C=C1 038587 [1,0,0,0,1,0|2,0,0]=4 280 B10R2.7 C1=CC=C2NC=CC2=C1 068792 [1,0,0,0,1,0|0,0,1]=3 281 B10R2.7 C1=CC=C2NC=NC2=C1 235007 [1,0,0,0,1,0|1,0,0]=3 282 B10R2.7 C1=CC=C2NN=NC2=C1 003815 [1,0,0,0,1,0|2,0,0]=4 283 B10R2.7 C1=CC=C2OC=CC2=C1 078727 [1,0,0,0,1,0|1,0,0]=3 284 B10R2.7 C1=CC=C2OC=NC2=C1 078910 [1,0,0,0,1,0|1,0,0]=3 285 B10R2.7 C1=CC=C2SC=CC2=C1 003497 [1,0,0,0,1,0|1,0,0]=3 286 B10R2.7 C1=CC=C2SC=NC2=C1 093451 [1,0,0,0,1,0|1,0,0]=3 287 B10R2.7 C1=CN=C2C=NNC2=C1 093150 [1,0,0,0,1,0|2,0,0]=4 288 B10R2.7 C1=CN=C2NC=CC2=C1 032720 [1,0,0,0,1,0|1,0,0]=3 289 B10R2.7 C1=CN=C2NC=NC2=C1 223376 [1,0,0,0,1,0|2,0,0]=4