0 B11R2.1 BrC1=CN=C2C=CC=CN12 17183 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 BrC1=CNC2=CN=CC=C12 15871 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 BrC1=CNC2=NC=CC=C12 14707 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [0,0,0,0,0,0|2,1,0]=3 6 B11R2.1 BrC1=NN=C2C=CC=CN12 33798 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 BrC1=NNC2=C1C=NC=C2 14717 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [0,0,0,0,0,0|2,0,0]=2 9 B11R2.1 BrC1=NNC2=CC=CN=C21 14719 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.1 BrC1=NNC2=CN=CC=C21 32999 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.1 BrC1=NNC2=NC=CC=C12 32566 [0,0,0,0,0,0|3,0,0]=3 12 B11R2.1 BrC1=NNC2=NC=CN=C12 33011 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,0,0,0,0,0|3,0,0]=3 14 B11R2.1 CC1=CNC2=C1C=NC=C2 34831 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,0,0,0,0,0|3,0,0]=3 16 B11R2.1 CC1=CNC2=NC=CC=C12 19349 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,0,0,0,0,0|2,1,0]=3 18 B11R2.1 CC1=NNC2=C1C=NC=C2 32587 [0,0,0,0,0,0|3,0,0]=3 19 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,0,0,0,0,0|2,0,0]=2 20 B11R2.1 CC1=NNC2=CC=CN=C21 33375 [0,0,0,0,0,0|3,0,0]=3 21 B11R2.1 CC1=NNC2=CN=CC=C21 33379 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.1 CC1=NNC2=NC=CC=C12 32568 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.1 CC1=NNC2=NC=CN=C12 33392 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,0,0,0,0|3,0,1]=4 26 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [0,0,0,0,0,0|4,0,0]=4 27 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [0,0,0,0,0,0|3,0,0]=3 30 B11R2.1 ClC1=CNC2=NC=CC=C12 14740 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [0,0,0,0,0,0|1,0,0]=1 32 B11R2.1 ClC1=NSC2=C1C=CC=C2 22324 [0,0,0,0,0,0|1,1,0]=2 33 B11R2.1 IC1=CNC2=NC=CC=C12 16589 [0,0,0,0,0,0|4,0,0]=4 34 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [0,0,0,0,0,0|2,0,0]=2 35 B11R2.1 IC1=NNC2=CC=CN=C21 33374 [0,0,0,0,0,0|3,0,0]=3 36 B11R2.1 IC1=NNC2=CN=CC=C21 33378 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.1 IC1=NNC2=NC=CC=C12 32567 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.1 NC1=NCc2ccccc21 31698 [0,0,0,0,0,0|2,0,0]=2 39 B11R2.1 NC1=NNC2=C1C=NC=C2 32586 [0,0,0,0,0,0|3,0,0]=3 40 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [0,0,0,0,0,0|2,0,0]=2 41 B11R2.1 NC1=NNC2=CN=CC=C21 33377 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.1 NC1=NNC2=NC=CC=C12 18838 [0,0,0,0,0,0|3,0,0]=3 43 B11R2.1 NC1=NNC2=NC=CN=C12 33391 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [0,0,0,0,0,0|1,0,0]=1 45 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,0,0,0,0|3,0,1]=4 46 B11R2.1 NC1COC2=NC=CC=C21 34572 [0,0,0,0,0,0|3,0,1]=4 47 B11R2.1 NN1N=NC2=C1C=CC=C2 19954 [0,0,0,0,0,0|3,0,0]=3 48 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,0,0,0,0|3,0,1]=4 49 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,0,0,0,0|3,0,1]=4 50 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,0,0,0,0|3,0,1]=4 51 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,0,0,0,0,0|2,0,1]=3 52 B11R2.1 O=C1CCc2ncccc21 26187 [0,0,0,0,0,0|3,0,1]=4 53 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,0,0,0,0,0|1,0,1]=2 54 B11R2.1 O=C1COC2=C1C=NC=C2 24176 [0,0,0,0,0,0|2,0,1]=3 55 B11R2.1 O=C1COC2=CN=CC=C12 24154 [0,0,0,0,0,0|2,0,1]=3 56 B11R2.1 O=C1COC2=NC=CC=C12 24153 [0,0,0,0,0,0|2,0,1]=3 57 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,0,0,0,0,0|1,1,1]=3 58 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [0,0,0,0,0,0|1,0,2]=3 59 B11R2.1 O=C1NN=C2C=CC=CN12 9282 [0,0,0,0,0,0|2,0,2]=4 60 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [0,0,0,0,0,0|1,0,2]=3 61 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [0,0,0,0,0,0|0,1,2]=3 62 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,0,0,0,0,0|2,0,1]=3 63 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [0,0,0,0,0,0|1,1,1]=3 64 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,0,0,0,0,0|2,0,0]=2 65 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [0,0,0,0,0,0|0,0,0]=0 66 B11R2.1 ON1N=NC2=C1C=CC=C2 12739 [0,0,0,0,0,0|2,0,0]=2 67 B11R2.1 ON1N=NC2=C1C=CC=C2 35769 [0,0,0,0,0,0|2,0,0]=2 68 B11R2.1 ON1N=NC2=C1C=CC=C2 9767 [0,0,0,0,0,0|2,0,0]=2 69 B11R2.1 On1nnc2cccnc21 12723 [0,0,0,0,0,0|3,0,0]=3 70 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 23000 [0,0,0,0,0,0|3,0,1]=4 71 B10R2.7 B1OC2=C(C=CC=C2)O1 18191 [1,0,0,0,0,0|2,0,0]=3 72 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,0,0,0|3,0,0]=4 73 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [1,0,0,0,0,0|2,0,0]=3 74 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,0,0,0|1,0,0]=2 75 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [1,0,0,0,0,0|2,0,0]=3 76 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,0,0,0|1,0,1]=3 77 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,0,0,0|2,0,0]=3 78 B10R2.7 C1=CC2=C(C=C1)SC=C2 13545 [1,0,0,0,0,0|1,1,0]=3 79 B10R2.7 C1=CC2=C(C=CS2)C=N1 32513 [1,0,0,0,0,0|2,1,0]=4 80 B10R2.7 C1=CC2=C(C=N1)C=NN2 18028 [1,0,0,0,0,0|2,0,0]=3 81 B10R2.7 C1=CC2=CC=CN2C=C1 28088 [1,0,0,0,0,0|3,0,0]=4 82 B10R2.7 C1=CC2=CC=NC=C2N1 7678 [1,0,0,0,0,0|3,0,0]=4 83 B10R2.7 C1=CC2=CC=NC=C2S1 32508 [1,0,0,0,0,0|2,1,0]=4 84 B10R2.7 C1=CC2=CN=CC=C2N1 7676 [1,0,0,0,0,0|3,0,0]=4 85 B10R2.7 C1=CC2=CN=CN2C=C1 23158 [1,0,0,0,0,0|2,0,0]=3 86 B10R2.7 C1=CC2=NC=CN2C=C1 17181 [1,0,0,0,0,0|3,0,0]=4 87 B10R2.7 C1=CC2=NN=CN2C=C1 33799 [1,0,0,0,0,0|2,0,0]=3 88 B10R2.7 C1=CC2=NNC=C2C=N1 33786 [1,0,0,0,0,0|2,0,1]=4 89 B10R2.7 C1=CC2=NON=C2C=C1 22999 [1,0,0,0,0,0|3,0,0]=4 90 B10R2.7 C1=CC2=NSN=C2C=C1 15689 [1,0,0,0,0,0|3,0,0]=4 91 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,0,0,0|2,0,0]=3 92 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,0,0,0|2,0,1]=4 93 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,0,0,0|1,0,2]=4 94 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,0,0,0|1,0,2]=4 95 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,0,0,0|1,0,2]=4 96 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,0,0,0|2,0,1]=4 97 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,0,0,0|1,0,0]=2 98 B10R2.7 C1=CN=C2C=CNC2=C1 7675 [1,0,0,0,0,0|3,0,0]=4 99 B10R2.7 C1=CN=C2C=NNC2=C1 19278 [1,0,0,0,0,0|2,0,0]=3 100 B10R2.7 C1=CN=C2NC=CC2=C1 7679 [1,0,0,0,0,0|3,0,0]=4 101 B10R2.7 C1=CN=C2NN=CC2=C1 25768 [1,0,0,0,0,0|2,0,0]=3 102 B10R2.7 C1=CN=C2NN=CC2=N1 33390 [1,0,0,0,0,0|3,0,0]=4 103 B10R2.7 C1=CN=C2SC=CC2=C1 32500 [1,0,0,0,0,0|2,1,0]=4 104 B10R2.7 C1=NC=C2C=NNC2=N1 23879 [1,0,0,0,0,0|3,0,0]=4 105 B10R2.7 C1=NC=C2NN=CC2=C1 33376 [1,0,0,0,0,0|2,0,0]=3 106 B12R2.1 BrCC1=NNC2=NC=CC=C12 20679 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1 BrCC1=NOC2=C1C=CC=C2 26214 [0,1,0,0,0,0|1,0,0]=2 108 B12R2.1 BrCC1=NOC2=NC=CC=C12 20678 [0,1,0,0,0,0|2,0,0]=3 109 B12R2.1 CON1C=NC2=C1C=CC=C2 8055 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.1 ClCN1N=NC2=C1C=CC=C2 21116 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.1 N#CC1=CNC2=CC=CC=C12 7325 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.1 N#CC1=NNC2=CC=CC=C21 11864 [0,1,0,0,0,0|2,0,0]=3 113 B12R2.1 N#CC1=NNC2=NC=CC=C12 29727 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.1 O=CC1=CNC2=CC=CC=C12 7247 [0,1,0,0,0,0|2,0,1]=4 115 B12R2.1 O=CC1=CSC2=C1C=CC=C2 13543 [0,1,0,0,0,0|1,1,1]=4 116 B12R2.1 O=CC1=NNC2=CC=CC=C21 11853 [0,1,0,0,0,0|1,0,1]=3 117 B12R2.1 OCC1=CN=C2C=CC=CN12 24716 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.1 OCC1=NNC2=CC=CC=C21 11866 [0,1,0,0,0,0|1,0,0]=2 119 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,1,0,0,0,0|2,0,1]=4 121 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,1,0,0,0,0|1,0,2]=4 122 B12R2.18 CN1SC2=C(C=CC=C2)C1=O 29423 [0,1,0,0,0,0|0,1,2]=4 123 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,1,0,0,0,0|2,0,1]=4 126 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,1,0,0,0,0|2,0,1]=4 127 B12R2.132 BrC1=CC=C2NC=C(Br)C2=C1 8321 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.132 BrC1=CC=C2NN=C(I)C2=C1 33042 [0,1,0,0,0,0|2,0,0]=3 129 B12R2.132 BrC1=CN=C2NN=C(I)C2=C1 14859 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 33811 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 15354 [0,1,0,0,0,0|2,1,0]=4 132 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 8851 [0,1,0,0,0,0|2,0,1]=4 133 B12R2.132 CC1=CC=C2NC=C(Br)C2=C1 8323 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.132 CC1=CNC2=CC=C(F)C=C12 1686 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.132 CC1=CNC2=CC=C(O)C=C12 21876 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 32473 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.132 CC1=CSC2=C1C=C(Br)C=C2 32453 [0,1,0,0,0,0|2,1,0]=4 138 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 7372 [0,1,0,0,0,0|2,1,0]=4 139 B12R2.132 CC1=CSC2=C1C=C(F)C=C2 7416 [0,1,0,0,0,0|2,1,0]=4 140 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 7815 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.132 CC1=NNC2=CC=C(Cl)C=C21 32533 [0,1,0,0,0,0|2,0,0]=3 142 B12R2.132 CC1=NNC2=CC=C(F)C=C21 28054 [0,1,0,0,0,0|2,0,0]=3 143 B12R2.132 CC1=NNC2=CC=C(I)C=C21 28052 [0,1,0,0,0,0|2,0,0]=3 144 B12R2.132 CC1=NNC2=CC=C(N)C=C21 7825 [0,1,0,0,0,0|2,0,0]=3 145 B12R2.132 CC1=NNC2=CC=C(O)C=C21 32538 [0,1,0,0,0,0|2,0,0]=3 146 B12R2.132 CC1=NNC2=CN=C(Cl)C=C21 33380 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.132 CC1=NNC2=NC=C(Br)C=C12 18085 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.132 CC1=NNC2=NC=C(F)C=C12 32578 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.132 CN1N=CC2=CC=C(Br)C=C21 19529 [0,1,0,0,0,0|3,0,0]=4 150 B12R2.132 CN1N=CC2=CC=C(I)C=C21 34478 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.132 CN1N=NC2=C1C=C(Br)C=C2 27934 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.132 ClC1=CC=C2NC=C(Br)C2=C1 8326 [0,1,0,0,0,0|3,0,0]=4 153 B12R2.132 ClC1=CC=C2NN=C(Br)C2=C1 33046 [0,1,0,0,0,0|2,0,0]=3 154 B12R2.132 ClC1=CC=C2NN=C(I)C2=C1 16737 [0,1,0,0,0,0|2,0,0]=3 155 B12R2.132 ClC1=NNC2=CC=C(Br)C=C21 20690 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.132 FC1=CC=C2NN=C(Br)C2=C1 33036 [0,1,0,0,0,0|2,0,0]=3 157 B12R2.132 FC1=CC=C2NN=C(I)C2=C1 33037 [0,1,0,0,0,0|2,0,0]=3 158 B12R2.132 FC1=CN=C2NN=C(I)C2=C1 33059 [0,1,0,0,0,0|3,0,0]=4 159 B12R2.132 NC1=CC2=C(C=C1)COB2O 34393 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.132 NC1=CC=C2COC(=O)C2=C1 6988 [0,1,0,0,0,0|2,0,1]=4 161 B12R2.132 NC1=CC=C2NN=C(Br)C2=C1 23040 [0,1,0,0,0,0|2,0,0]=3 162 B12R2.132 NC1=CC=C2NN=C(Cl)C2=C1 33052 [0,1,0,0,0,0|2,0,0]=3 163 B12R2.132 NC1=CNC2=CC=C(Br)C=C12 9446 [0,1,0,0,0,0|3,0,0]=4 164 B12R2.132 NC1=NNC2=CC=C(Br)C=C21 18573 [0,1,0,0,0,0|2,0,0]=3 165 B12R2.132 NC1=NNC2=CC=C(Br)N=C21 32995 [0,1,0,0,0,0|3,0,0]=4 166 B12R2.132 NC1=NNC2=CC=C(Cl)C=C21 32563 [0,1,0,0,0,0|2,0,0]=3 167 B12R2.132 NC1=NNC2=CC=C(F)C=C21 32560 [0,1,0,0,0,0|2,0,0]=3 168 B12R2.132 NC1=NNC2=CN=C(Cl)C=C21 33381 [0,1,0,0,0,0|3,0,0]=4 169 B12R2.132 NC1=NNC2=NC=C(Br)C=C12 32583 [0,1,0,0,0,0|3,0,0]=4 170 B12R2.132 NC1=NNC2=NC=C(Cl)C=C12 32581 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.132 NC1=NNC2=NC=C(F)C=C12 32582 [0,1,0,0,0,0|3,0,0]=4 172 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 35091 [0,1,0,0,0,0|1,0,0]=2 173 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 13783 [0,1,0,0,0,0|2,0,1]=4 174 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 13778 [0,1,0,0,0,0|2,0,1]=4 175 B12R2.132 O=C1CCC2=CC=C(F)C=C12 8856 [0,1,0,0,0,0|2,0,1]=4 176 B12R2.132 O=C1CCC2=CC=C(I)C=C12 17865 [0,1,0,0,0,0|2,0,1]=4 177 B12R2.132 O=C1CCC2=CC=C(O)C=C12 9660 [0,1,0,0,0,0|2,0,1]=4 178 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 17377 [0,1,0,0,0,0|1,0,1]=3 179 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18004 [0,1,0,0,0,0|1,0,1]=3 180 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18005 [0,1,0,0,0,0|1,0,1]=3 181 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18003 [0,1,0,0,0,0|1,0,1]=3 182 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 27906 [0,1,0,0,0,0|1,0,2]=4 183 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 16925 [0,1,0,0,0,0|1,0,2]=4 184 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 24257 [0,1,0,0,0,0|0,0,2]=3 185 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 22582 [0,1,0,0,0,0|2,0,1]=4 186 B12R2.132 O=C1OCC2=CC=C(Cl)C=C12 22575 [0,1,0,0,0,0|2,0,1]=4 187 B12R2.132 O=C1OCC2=CC=C(F)C=C12 22583 [0,1,0,0,0,0|2,0,1]=4 188 B12R2.132 O=C1OCC2=CC=C(O)C=C12 22513 [0,1,0,0,0,0|2,0,1]=4 189 B12R2.132 ON1N=NC2=C1C=C(Cl)C=C2 12743 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 8834 [0,1,0,0,0,0|2,0,1]=4 191 B12R2.196 CC1=C2NC=C(Br)C2=CC=C1 8324 [0,1,0,0,0,0|3,0,0]=4 192 B12R2.196 CC1=COC2=C1C=CC=C2Br 32467 [0,1,0,0,0,0|2,0,0]=3 193 B12R2.196 CC1=CSC2=C1C=CC=C2Br 33023 [0,1,0,0,0,0|2,1,0]=4 194 B12R2.196 CC1=CSC2=C1C=CC=C2Cl 13563 [0,1,0,0,0,0|2,1,0]=4 195 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 28049 [0,1,0,0,0,0|2,0,0]=3 196 B12R2.196 CC1=NNC2=C(F)C=CC=C12 28046 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.196 CC1=NNC2=C(N)C=CC=C12 32933 [0,1,0,0,0,0|2,0,0]=3 198 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 32558 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.196 CN1N=CC2=C1C=CC=C2O 28070 [0,1,0,0,0,0|3,0,0]=4 200 B12R2.196 ClC1=C2NC=C(Br)C2=CC=C1 7965 [0,1,0,0,0,0|3,0,0]=4 201 B12R2.196 ClC1=C2NN=C(Br)C2=CC=C1 33047 [0,1,0,0,0,0|2,0,0]=3 202 B12R2.196 ClC1=C2NN=C(I)C2=CC=C1 33048 [0,1,0,0,0,0|2,0,0]=3 203 B12R2.196 ClC1=NNC2=C(Br)C=CC=C12 33040 [0,1,0,0,0,0|2,0,0]=3 204 B12R2.196 FC1=C2NN=C(Br)C2=CC=C1 33032 [0,1,0,0,0,0|2,0,0]=3 205 B12R2.196 FC1=C2NN=C(I)C2=CC=C1 33033 [0,1,0,0,0,0|2,0,0]=3 206 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 25126 [0,1,0,0,0,0|1,0,2]=4 207 B12R2.196 NC1=C2COC(=O)C2=CC=C1 22580 [0,1,0,0,0,0|2,0,1]=4 208 B12R2.196 NC1=NNC2=C(Br)C=CC=C12 32561 [0,1,0,0,0,0|2,0,0]=3 209 B12R2.196 NC1=NNC2=C1C=NC=C2Br 32992 [0,1,0,0,0,0|3,0,0]=4 210 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 13784 [0,1,0,0,0,0|2,0,1]=4 211 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 5340 [0,1,0,0,0,0|2,0,1]=4 212 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [0,1,0,0,0,0|2,0,1]=4 213 B12R2.196 O=C1CCC2=C(O)C=CC=C12 9659 [0,1,0,0,0,0|2,0,1]=4 214 B12R2.196 O=C1COC2=C1C=CC=C2Cl 17867 [0,1,0,0,0,0|1,0,1]=3 215 B12R2.196 O=C1COC2=C1C=CC=C2I 17884 [0,1,0,0,0,0|1,0,1]=3 216 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 22006 [0,1,0,0,0,0|1,0,2]=4 217 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 25129 [0,1,0,0,0,0|1,0,2]=4 218 B12R2.196 O=C1NCC2=C(F)C=CC=C12 25128 [0,1,0,0,0,0|1,0,2]=4 219 B12R2.196 O=C1NCC2=C(O)C=CC=C12 25124 [0,1,0,0,0,0|1,0,2]=4 220 B12R2.196 O=C1OCC2=C(Cl)C=CC=C12 19470 [0,1,0,0,0,0|2,0,1]=4 221 B12R2.203 BrC1=C2C(=CC=C1)NN=C2I 33043 [0,1,0,0,0,0|2,0,0]=3 222 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 19846 [0,1,0,0,0,0|2,0,1]=4 223 B12R2.203 CC1=CSC2=C1C(Br)=CC=C2 32454 [0,1,0,0,0,0|2,1,0]=4 224 B12R2.203 CC1=CSC2=C1C(Cl)=CC=C2 33022 [0,1,0,0,0,0|2,1,0]=4 225 B12R2.203 CC1=NNC2=C1C(Cl)=NC=C2 32591 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.203 CC1=NNC2=C1C(N)=CC=C2 28072 [0,1,0,0,0,0|2,0,0]=3 227 B12R2.203 CC1=NNC2=C1C(O)=CC=C2 32534 [0,1,0,0,0,0|2,0,0]=3 228 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 28048 [0,1,0,0,0,0|2,0,0]=3 229 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 32535 [0,1,0,0,0,0|2,0,0]=3 230 B12R2.203 CC1=NNC2=CC=CC(F)=C21 28053 [0,1,0,0,0,0|2,0,0]=3 231 B12R2.203 CC1=NNC2=CN=CC(Br)=C21 33386 [0,1,0,0,0,0|3,0,0]=4 232 B12R2.203 CC1=NNC2=CN=CC(Cl)=C21 33387 [0,1,0,0,0,0|3,0,0]=4 233 B12R2.203 CC1=NNC2=NC=CC(Cl)=C12 33057 [0,1,0,0,0,0|3,0,0]=4 234 B12R2.203 CC1=NNC2=NC=CC(I)=C12 32580 [0,1,0,0,0,0|3,0,0]=4 235 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 20892 [0,1,0,0,0,0|3,0,0]=4 236 B12R2.203 ClC1=C2C(=CC=C1)NN=C2Br 33044 [0,1,0,0,0,0|2,0,0]=3 237 B12R2.203 ClC1=C2C(=CC=C1)NN=C2I 33045 [0,1,0,0,0,0|2,0,0]=3 238 B12R2.203 ClC1=CC=CC2=NN=C(Br)N12 34416 [0,1,0,0,0,0|3,0,0]=4 239 B12R2.203 ClC1=NC=CC2=C1C(I)=NN2 28074 [0,1,0,0,0,0|3,0,0]=4 240 B12R2.203 ClC1=NNC2=CC=CC(Br)=C21 20680 [0,1,0,0,0,0|2,0,0]=3 241 B12R2.203 FC1=C2C(=CC=C1)NN=C2Br 33038 [0,1,0,0,0,0|2,0,0]=3 242 B12R2.203 FC1=C2C(=CC=C1)NN=C2I 33039 [0,1,0,0,0,0|2,0,0]=3 243 B12R2.203 NC1=C2C(=CC=N1)NN=C2I 16192 [0,1,0,0,0,0|3,0,0]=4 244 B12R2.203 NC1=NNC2=C1C(Br)=NC=C2 32990 [0,1,0,0,0,0|3,0,0]=4 245 B12R2.203 NC1=NNC2=C1C(Cl)=NC=C2 33373 [0,1,0,0,0,0|3,0,0]=4 246 B12R2.203 NC1=NNC2=CC=CC(Br)=C21 20681 [0,1,0,0,0,0|2,0,0]=3 247 B12R2.203 NC1=NNC2=CC=CC(Cl)=C21 32562 [0,1,0,0,0,0|2,0,0]=3 248 B12R2.203 NC1=NNC2=CC=CC(F)=C21 32559 [0,1,0,0,0,0|2,0,0]=3 249 B12R2.203 NC1=NNC2=CC=CC(I)=C21 32565 [0,1,0,0,0,0|2,0,0]=3 250 B12R2.203 NC1=NNC2=CN=CC(Br)=C21 33007 [0,1,0,0,0,0|3,0,0]=4 251 B12R2.203 NC1=NNC2=CN=CC(Cl)=C21 33008 [0,1,0,0,0,0|3,0,0]=4 252 B12R2.203 NC1=NNC2=CN=CC(F)=C21 33009 [0,1,0,0,0,0|3,0,0]=4 253 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 13776 [0,1,0,0,0,0|2,0,1]=4 254 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 13780 [0,1,0,0,0,0|2,0,1]=4 255 B12R2.203 O=C1CCC2=CC=CC(O)=C12 23254 [0,1,0,0,0,0|2,0,1]=4 256 B12R2.203 O=C1COC2=C1C(Cl)=CC=C2 17974 [0,1,0,0,0,0|1,0,1]=3 257 B12R2.203 O=C1COC2=C1C(F)=CC=C2 17972 [0,1,0,0,0,0|1,0,1]=3 258 B12R2.203 O=C1COC2=C1C(I)=CC=C2 17978 [0,1,0,0,0,0|1,0,1]=3 259 B12R2.203 O=C1NOC2=C1C(Cl)=CC=C2 17389 [0,1,0,0,0,0|0,0,2]=3 260 B12R2.203 O=C1OCC2=CC=CC(Cl)=C12 19473 [0,1,0,0,0,0|2,0,1]=4 261 B12R2.612 BrC1=CC=C2C(=C1)NN=C2I 33041 [0,1,0,0,0,0|2,0,0]=3 262 B12R2.612 BrC1=CC=C2C(Br)=CNC2=C1 8325 [0,1,0,0,0,0|3,0,0]=4 263 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,0,0,0|2,0,1]=4 264 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 16061 [0,1,0,0,0,0|3,0,0]=4 265 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 32472 [0,1,0,0,0,0|2,0,0]=3 266 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 32447 [0,1,0,0,0,0|2,1,0]=4 267 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 33021 [0,1,0,0,0,0|2,1,0]=4 268 B12R2.612 CC1=NNC2=C1C=NC(Br)=C2 32592 [0,1,0,0,0,0|3,0,0]=4 269 B12R2.612 CC1=NNC2=C1C=NC(Cl)=C2 32593 [0,1,0,0,0,0|3,0,0]=4 270 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 28047 [0,1,0,0,0,0|2,0,0]=3 271 B12R2.612 CC1=NNC2=CC(Cl)=CC=C21 32530 [0,1,0,0,0,0|2,0,0]=3 272 B12R2.612 CC1=NNC2=CC(F)=CC=C21 20302 [0,1,0,0,0,0|2,0,0]=3 273 B12R2.612 CC1=NNC2=CC(I)=CC=C21 32529 [0,1,0,0,0,0|2,0,0]=3 274 B12R2.612 CC1=NNC2=CC(N)=CC=C21 15631 [0,1,0,0,0,0|2,0,0]=3 275 B12R2.612 CC1=NNC2=CC(O)=CC=C21 18073 [0,1,0,0,0,0|2,0,0]=3 276 B12R2.612 CC1=NNC2=NC(Br)=CC=C12 32579 [0,1,0,0,0,0|3,0,0]=4 277 B12R2.612 CC1=NNC2=NC(Cl)=CC=C12 32577 [0,1,0,0,0,0|3,0,0]=4 278 B12R2.612 CC1=NNC2=NC(F)=CC=C12 32576 [0,1,0,0,0,0|3,0,0]=4 279 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 24259 [0,1,0,0,0,0|1,0,0]=2 280 B12R2.612 CC1=NOC2=C1C=CC(Cl)=C2 26079 [0,1,0,0,0,0|1,0,0]=2 281 B12R2.612 CN1N=CC2=CC(N)=CC=C21 20587 [0,1,0,0,0,0|3,0,0]=4 282 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 27933 [0,1,0,0,0,0|3,0,0]=4 283 B12R2.612 ClC1=CC2=C(C=N1)C(I)=NN2 34657 [0,1,0,0,0,0|3,0,0]=4 284 B12R2.612 ClC1=CC=C2C(=C1)NN=C2Br 33049 [0,1,0,0,0,0|2,0,0]=3 285 B12R2.612 ClC1=CC=C2C(=C1)NN=C2I 33050 [0,1,0,0,0,0|2,0,0]=3 286 B12R2.612 ClC1=CC=C2C(Br)=NNC2=N1 33054 [0,1,0,0,0,0|3,0,0]=4 287 B12R2.612 ClC1=NNC2=CC(Br)=CC=C21 20688 [0,1,0,0,0,0|2,0,0]=3 288 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 27620 [0,1,0,0,0,0|1,0,0]=2 289 B12R2.612 Cn1ncc2cc(Br)ccc21 16382 [0,1,0,0,0,0|3,0,0]=4 290 B12R2.612 FC1=CC=C2C(=C1)NN=C2Br 33034 [0,1,0,0,0,0|2,0,0]=3 291 B12R2.612 FC1=CC=C2C(=C1)NN=C2I 33035 [0,1,0,0,0,0|2,0,0]=3 292 B12R2.612 NC1=CC=C2C(=C1)NN=C2Br 23041 [0,1,0,0,0,0|2,0,0]=3 293 B12R2.612 NC1=CC=C2C(=C1)NN=C2Cl 23042 [0,1,0,0,0,0|2,0,0]=3 294 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,0,0,0|2,0,1]=4 295 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 25145 [0,1,0,0,0,0|1,0,2]=4 296 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 25214 [0,1,0,0,0,0|2,0,1]=4 297 B12R2.612 NC1=NNC2=C1C=NC(Cl)=C2 32991 [0,1,0,0,0,0|3,0,0]=4 298 B12R2.612 NC1=NNC2=CC(Br)=CC=C21 17937 [0,1,0,0,0,0|2,0,0]=3 299 B12R2.612 NC1=NNC2=CC(Br)=CN=C21 26738 [0,1,0,0,0,0|3,0,0]=4 300 B12R2.612 NC1=NNC2=CC(Cl)=CC=C21 32564 [0,1,0,0,0,0|2,0,0]=3 301 B12R2.612 NC1=NNC2=NC(Cl)=CC=C12 32584 [0,1,0,0,0,0|3,0,0]=4 302 B12R2.612 NC1COC2=C1C=CC(Br)=C2 17825 [0,1,0,0,0,0|2,0,1]=4 303 B12R2.612 NC1COC2=C1C=CC(Br)=C2 23149 [0,1,0,0,0,0|2,0,1]=4 304 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,0,0,0|2,0,1]=4 305 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,0,0,0|2,0,1]=4 306 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,0,0,0|2,0,1]=4 307 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,0,0,0|2,0,1]=4 308 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,0,0,0|2,0,1]=4 309 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,1,0,0,0,0|1,0,1]=3 310 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,1,0,0,0,0|1,0,1]=3 311 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,1,0,0,0,0|1,0,1]=3 312 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,0,0,0|1,0,1]=3 313 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 35478 [0,1,0,0,0,0|1,0,2]=4 314 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [0,1,0,0,0,0|1,0,2]=4 315 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [0,1,0,0,0,0|1,0,2]=4 316 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 20699 [0,1,0,0,0,0|2,0,1]=4 317 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 11268 [0,1,0,0,0,0|0,0,0]=1 318 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,1,0,0,0,0|2,0,1]=4 319 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 27908 [0,1,0,0,0,0|3,0,0]=4 320 B12R2.2028 CN1N=C(N)C2=CC=CN=C21 15809 [0,1,0,0,0,0|3,0,0]=4 321 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 15713 [0,1,0,0,0,0|1,0,2]=4 322 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 35955 [0,1,0,0,0,0|1,0,2]=4 323 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [0,1,0,0,0,0|2,0,1]=4 324 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [0,1,0,0,0,0|2,0,1]=4 325 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [0,1,0,0,0,0|2,0,1]=4 326 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,0,1,0,0,0|2,0,1]=4 328 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,1,0,0,0|1,0,2]=4 329 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,1,0,0,0|2,0,1]=4 330 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,1,0,0,0|2,0,1]=4 331 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,1,0,0,0|2,0,1]=4 332 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,0,1,0,0,0|2,0,1]=4 333 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,0,1,0,0,0|2,0,1]=4 334 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,0,1,0,0,0|2,0,1]=4 335 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,1,0,0,0|1,0,2]=4 336 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,0,1,0,0,0|2,0,1]=4 337 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,0,1,0,0,0|2,0,1]=4 338 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,0,1,0,0,0|1,0,0]=2 339 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,1,0,0,0|2,0,1]=4 340 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,1,0,0,0|2,0,1]=4 341 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,1,0,0,0|2,0,1]=4 342 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,1,0,0,0|1,0,1]=3 343 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,0,1,0,0,0|1,0,1]=3 344 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,0,1,0,0,0|1,0,1]=3 345 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,0,1,0,0,0|2,0,1]=4 346 B10R1.17 BrCCOC1=CC=CC=C1 3152 [0,0,1,0,0,0|2,0,1]=4 347 B10R1.17 C=CCOC1=CC=CC=C1 29359 [0,0,1,0,0,0|2,0,0]=3 348 B10R1.17 C=COCC1=CC=CC=C1 36172 [0,0,1,0,0,0|3,0,0]=4 349 B10R1.17 ClCCOC1=CC=CC=C1 3167 [0,0,1,0,0,0|2,0,1]=4 350 B10R1.17 NCCOC1=CC=CC=C1 14773 [0,0,1,0,0,0|2,0,1]=4 351 B10R1.17 NCCOC1=CC=CC=C1 15299 [0,0,1,0,0,0|2,0,1]=4 352 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [0,0,1,0,0,0|2,0,1]=4 353 B10R1.17 OCC#CC1=CC=CC=C1 13580 [0,0,1,0,0,0|2,0,1]=4 354 B10R1.17 OCCCC1=CC=CC=C1 15023 [0,0,1,0,0,0|2,0,1]=4 355 B10R1.17 OCCSC1=CC=CC=C1 10784 [0,0,1,0,0,0|1,1,1]=4 356 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [0,0,1,0,0,0|1,1,1]=4 357 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [0,0,1,0,0,0|3,0,0]=4 358 B10R1.20 CCC1=C(C=O)C=CC=C1 3074 [0,0,1,0,0,0|2,0,1]=4 359 B10R1.20 COC1=C(C#N)C=CC=C1 4812 [0,0,1,0,0,0|2,0,1]=4 360 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [0,0,1,0,0,0|1,0,1]=3 361 B10R1.20 COC1=C(C=O)C=CN=C1 33676 [0,0,1,0,0,0|2,0,1]=4 362 B10R1.20 COC1=C(C=O)C=NC=C1 15264 [0,0,1,0,0,0|2,0,1]=4 363 B10R1.20 COC1=C(CBr)C=CC=C1 14738 [0,0,1,0,0,0|2,0,1]=4 364 B10R1.20 COC1=C(CCl)C=CC=C1 4651 [0,0,1,0,0,0|2,0,1]=4 365 B10R1.20 COC1=C(CN)C=CC=C1 7402 [0,0,1,0,0,0|2,0,1]=4 366 B10R1.20 COC1=C(CO)C=CC=C1 7736 [0,0,1,0,0,0|1,0,1]=3 367 B10R1.20 COC1=C(NN)C=CC=C1 16110 [0,0,1,0,0,0|3,0,0]=4 368 B10R1.20 COC1=C(NN)C=CC=C1 4496 [0,0,1,0,0,0|3,0,0]=4 369 B10R1.20 COC1=C(OC)C=CC=C1 15018 [0,0,1,0,0,0|3,0,0]=4 370 B10R1.20 COC1=C(SC)C=CC=C1 10651 [0,0,1,0,0,0|3,0,0]=4 371 B10R1.20 COC1=CC=CN=C1CO 24107 [0,0,1,0,0,0|2,0,1]=4 372 B10R1.20 COC1=NC=CC=C1C=O 15124 [0,0,1,0,0,0|2,0,1]=4 373 B10R1.20 CSC1=C(C=O)C=CC=C1 10676 [0,0,1,0,0,0|1,1,1]=4 374 B10R1.20 N#CC1=C(C=O)C=CC=C1 7409 [0,0,1,0,0,0|1,0,2]=4 375 B10R1.20 NCC1=C(CO)C=CC=C1 16185 [0,0,1,0,0,0|1,0,2]=4 376 B10R1.20 OCC1=CC=CC=C1CO 22613 [0,0,1,0,0,0|2,0,1]=4 377 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [0,0,1,0,0,0|2,0,1]=4 378 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [0,0,1,0,0,0|2,0,1]=4 379 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [0,0,1,0,0,0|2,0,1]=4 380 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [0,0,1,0,0,0|2,0,1]=4 381 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [0,0,1,0,0,0|2,0,1]=4 382 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [0,0,1,0,0,0|1,0,1]=3 383 B10R1.61 CC1=C(B(O)O)C=CC=C1 1871 [0,0,1,0,0,0|3,0,0]=4 384 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [0,0,1,0,0,0|3,0,0]=4 385 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [0,0,1,0,0,0|3,0,0]=4 386 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [0,0,1,0,0,0|3,0,0]=4 387 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [0,0,1,0,0,0|2,0,0]=3 388 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [0,0,1,0,0,0|2,0,1]=4 389 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [0,0,1,0,0,0|2,0,0]=3 390 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [0,0,1,0,0,0|3,0,0]=4 391 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [0,0,1,0,0,0|3,0,0]=4 392 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [0,0,1,0,0,0|1,0,2]=4 393 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [0,0,1,0,0,0|2,0,1]=4 394 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [0,0,1,0,0,0|2,0,1]=4 395 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [0,0,1,0,0,0|2,0,1]=4 396 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [0,0,1,0,0,0|2,0,1]=4 397 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [0,0,1,0,0,0|2,0,1]=4 398 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [0,0,1,0,0,0|2,0,1]=4 399 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [0,0,1,0,0,0|1,0,2]=4 400 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [0,0,1,0,0,0|1,0,2]=4 401 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [0,0,1,0,0,0|1,0,2]=4 402 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [0,0,1,0,0,0|1,0,2]=4 403 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [0,0,1,0,0,0|1,0,2]=4 404 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [0,0,1,0,0,0|0,0,2]=3 405 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [0,0,1,0,0,0|1,0,2]=4 406 B10R1.61 NC1=C(B(O)O)C=CC=C1 1746 [0,0,1,0,0,0|3,0,0]=4 407 B10R1.61 NC1=C(B(O)O)C=CC=C1 9885 [0,0,1,0,0,0|3,0,0]=4 408 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [0,0,1,0,0,0|3,0,0]=4 409 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [0,0,1,0,0,0|3,0,0]=4 410 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [0,0,1,0,0,0|3,0,0]=4 411 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [0,0,1,0,0,0|3,0,0]=4 412 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [0,0,1,0,0,0|3,0,0]=4 413 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [0,0,1,0,0,0|2,0,1]=4 414 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [0,0,1,0,0,0|2,0,1]=4 415 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [0,0,1,0,0,0|2,0,0]=3 416 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [0,0,1,0,0,0|3,0,0]=4 417 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [0,0,1,0,0,0|3,0,0]=4 418 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [0,0,1,0,0,0|3,0,0]=4 419 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [0,0,1,0,0,0|3,0,0]=4 420 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [0,0,1,0,0,0|2,0,0]=3 421 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [0,0,1,0,0,0|3,0,0]=4 422 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [0,0,1,0,0,0|3,0,0]=4 423 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [0,0,1,0,0,0|3,0,0]=4 424 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [0,0,1,0,0,0|2,0,0]=3 425 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [0,0,1,0,0,0|3,0,0]=4 426 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [0,0,1,0,0,0|2,0,0]=3 427 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [0,0,1,0,0,0|2,0,0]=3 428 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [0,0,1,0,0,0|2,1,0]=4 429 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [0,0,1,0,0,0|1,1,0]=3 430 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [0,0,1,0,0,0|3,0,0]=4 431 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [0,0,1,0,0,0|3,0,0]=4 432 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [0,0,1,0,0,0|3,0,0]=4 433 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [0,0,1,0,0,0|3,0,0]=4 434 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [0,0,1,0,0,0|3,0,0]=4 435 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [0,0,1,0,0,0|3,0,0]=4 436 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [0,0,1,0,0,0|2,0,0]=3 437 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [0,0,1,0,0,0|3,0,0]=4 438 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [0,0,1,0,0,0|2,0,1]=4 439 B10R1.61 OB(O)C1=C(Br)C=CC=C1 13095 [0,0,1,0,0,0|3,0,0]=4 440 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 1797 [0,0,1,0,0,0|3,0,0]=4 441 B10R1.61 OB(O)C1=C(F)C=CC=C1 1856 [0,0,1,0,0,0|3,0,0]=4 442 B10R1.61 OB(O)C1=C(I)C=CC=C1 34200 [0,0,1,0,0,0|3,0,0]=4 443 B10R1.61 OB(O)C1=C(O)C=CC=C1 9522 [0,0,1,0,0,0|2,0,0]=3 444 B10R1.61 OB(O)C1=CC=CN=C1O 33718 [0,0,1,0,0,0|3,0,0]=4 445 B10R2.320 BrC1CC2=CC=CC=C21 36330 [0,0,0,0,1,0|2,0,1]=4 446 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [0,0,0,0,0,1|3,0,0]=4 447 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 20629 [0,0,0,0,0,1|2,0,0]=3 448 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 5814 [0,0,0,0,0,1|3,0,0]=4 449 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [0,0,0,0,0,1|3,0,0]=4 450 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [0,0,0,0,0,1|3,0,0]=4 451 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 24093 [0,0,0,0,0,1|2,0,0]=3 452 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [0,0,0,0,0,1|3,0,0]=4 453 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [0,0,0,0,0,1|3,0,0]=4 454 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 6215 [0,0,0,0,0,1|2,0,0]=3 455 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 14555 [0,0,0,0,0,1|3,0,0]=4 456 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [0,0,0,0,0,1|3,0,0]=4 457 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 14666 [0,0,0,0,0,1|2,0,0]=3 458 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 15447 [0,0,0,0,0,1|3,0,0]=4 459 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [0,0,0,0,0,1|3,0,0]=4 460 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [0,0,0,0,0,1|3,0,0]=4 461 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [0,0,0,0,0,1|3,0,0]=4 462 B12R2.24 NC1=CC2=CC=CC=C2C=N1 6217 [0,0,0,0,0,1|2,0,0]=3 463 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [0,0,0,0,0,1|3,0,0]=4 464 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [0,0,0,0,0,1|3,0,0]=4 465 B12R2.24 NC1=NC2=CC=CC=C2N=C1 15443 [0,0,0,0,0,1|3,0,0]=4 466 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,0,0,0,0,1|2,0,1]=4 467 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,0,0,1|2,0,1]=4 468 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,0,0,1|2,0,1]=4 469 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,0,0,0,1|1,0,1]=3 470 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,0,0,0,1|1,0,1]=3 471 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [0,0,0,0,0,1|2,0,0]=3 472 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [0,0,0,0,0,1|3,0,0]=4 473 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [0,0,0,0,0,1|3,0,0]=4 474 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [0,0,0,0,0,1|3,0,0]=4 475 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [0,0,0,0,0,1|3,0,0]=4 476 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [0,0,0,0,0,1|2,0,0]=3 477 B12R2.24 OC1=NC2=CC=CN=C2C=C1 27746 [0,0,0,0,0,1|3,0,0]=4 478 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [0,0,0,0,0,1|2,1,0]=4 479 B12R2.24 SC1=NC2=CC=CC=C2N=C1 15427 [0,0,0,0,0,1|2,1,0]=4 480 B12R2.1081 BrC1=C2N=CC=CC2=CN=C1 33508 [0,0,0,0,0,1|3,0,0]=4 481 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 7115 [0,0,0,0,0,1|3,0,0]=4 482 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 6212 [0,0,0,0,0,1|2,0,0]=3 483 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 6211 [0,0,0,0,0,1|2,0,0]=3 484 B12R2.1081 BrC1=NC=CC2=CC=NC=C21 33503 [0,0,0,0,0,1|3,0,0]=4 485 B12R2.1081 Brc1cccc2ccccc12 36195 [0,0,0,0,0,1|3,0,0]=4 486 B12R2.1081 C=C1CCOC2=CC=CN=C12 19243 [0,0,0,0,0,1|3,0,0]=4 487 B12R2.1081 CC1=NC=CC2=CC=CC=C21 17034 [0,0,0,0,0,1|2,0,0]=3 488 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 14684 [0,0,0,0,0,1|3,0,0]=4 489 B12R2.1081 ClC1=C2N=CC=CC2=CC=N1 33824 [0,0,0,0,0,1|3,0,0]=4 490 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 9388 [0,0,0,0,0,1|3,0,0]=4 491 B12R2.1081 ClC1=CN=NC2=CC=CC=C12 19950 [0,0,0,0,0,1|2,0,0]=3 492 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 13906 [0,0,0,0,0,1|2,0,0]=3 493 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 33500 [0,0,0,0,0,1|3,0,0]=4 494 B12R2.1081 ClC1=NC=NC2=C1C=CC=N2 15499 [0,0,0,0,0,1|3,0,0]=4 495 B12R2.1081 ClC1=NC=NC2=C1C=CN=C2 15460 [0,0,0,0,0,1|3,0,0]=4 496 B12R2.1081 ClC1=NC=NC2=C1C=NC=C2 14682 [0,0,0,0,0,1|3,0,0]=4 497 B12R2.1081 ClC1=NC=NC2=C1N=CC=C2 15525 [0,0,0,0,0,1|3,0,0]=4 498 B12R2.1081 ClC1=NC=NC2=CC=CC=C21 18629 [0,0,0,0,0,1|2,0,0]=3 499 B12R2.1081 FC1=CC=CC2=CC=CC=C12 10866 [0,0,0,0,0,1|3,0,0]=4 500 B12R2.1081 FC1=CN=CC2=CN=CC=C12 33502 [0,0,0,0,0,1|3,0,0]=4 501 B12R2.1081 IC1=CC=CC2=CC=CC=C12 28941 [0,0,0,0,0,1|3,0,0]=4 502 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 6410 [0,0,0,0,0,1|3,0,0]=4 503 B12R2.1081 NC1=CC=CC2=CC=CC=C12 23886 [0,0,0,0,0,1|3,0,0]=4 504 B12R2.1081 NC1=CC=NC2=CC=CC=C12 12777 [0,0,0,0,0,1|3,0,0]=4 505 B12R2.1081 NC1=CN=CC2=CC=CC=C12 12825 [0,0,0,0,0,1|2,0,0]=3 506 B12R2.1081 NC1=NC=CC2=CC=CC=C21 18941 [0,0,0,0,0,1|2,0,0]=3 507 B12R2.1081 NC1=NC=CC2=CC=NC=C21 33499 [0,0,0,0,0,1|3,0,0]=4 508 B12R2.1081 NC1=NC=NC2=C1C=NC=C2 33509 [0,0,0,0,0,1|3,0,0]=4 509 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [0,0,0,0,0,1|2,0,1]=4 510 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [0,0,0,0,0,1|2,0,1]=4 511 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [0,0,0,0,0,1|2,0,1]=4 512 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [0,0,0,0,0,1|2,0,1]=4 513 B12R2.1081 O=C1CCOC2=CC=CC=C12 9708 [0,0,0,0,0,1|1,0,1]=3 514 B12R2.1081 O=C1CCOC2=CC=CN=C12 19245 [0,0,0,0,0,1|2,0,1]=4 515 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 14541 [0,0,0,0,0,1|1,0,1]=3 516 B12R2.1081 O=C1NN=CC2=CC=CC=C12 14642 [0,0,0,0,0,1|1,0,1]=3 517 B12R2.1081 O=C1NN=CC2=CC=CC=C12 33495 [0,0,0,0,0,1|1,0,1]=3 518 B12R2.1081 O=C1OCCC2=CC=CC=C12 25692 [0,0,0,0,0,1|2,0,1]=4 519 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 12784 [0,0,0,0,0,1|3,0,0]=4 520 B12R2.1081 OC1=C2C=CN=CC2=CC=C1 12826 [0,0,0,0,0,1|3,0,0]=4 521 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 6253 [0,0,0,0,0,1|3,0,0]=4 522 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 17430 [0,0,0,0,0,1|3,0,0]=4 523 B12R2.1081 OC1=CC=CC2=CC=CC=C12 16938 [0,0,0,0,0,1|2,0,0]=3 524 B12R2.1081 OC1=CC=NC2=CC=CC=C12 7559 [0,0,0,0,0,1|2,0,0]=3 525 B12R2.1081 OC1=CN=CC2=CC=CC=C12 12381 [0,0,0,0,0,1|1,0,0]=2 526 B12R2.1081 OC1=NC=CC2=CC=CC=C21 6257 [0,0,0,0,0,1|1,0,0]=2 527 B12R2.1081 OC1=NC=NC2=CC=CC=C21 30410 [0,0,0,0,0,1|1,0,0]=2 528 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [0,0,0,0,0,1|2,0,1]=4 529 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,1,0,0,0|1,0,1]=4 530 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,1,0,0,0|1,0,1]=4 531 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [1,0,1,0,0,0|2,0,0]=4 532 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [1,0,1,0,0,0|2,0,0]=4 533 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [1,0,1,0,0,0|2,0,0]=4 534 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [1,0,1,0,0,0|2,0,0]=4 535 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,1,0,0,0|0,1,1]=4 536 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,1,0,0,0|0,1,1]=4 537 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,1,0,0,0|1,0,1]=4 538 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,0,1,0,0,0|1,0,1]=4 539 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,0,1,0,0,0|1,0,1]=4 540 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,0,1,0,0,0|1,0,1]=4 541 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,0,1,0,0,0|1,0,0]=3 542 B9R1.6 OB(O)C1=CC=CN=C1 2183 [1,0,1,0,0,0|2,0,0]=4 543 B9R1.6 OB(O)C1=CC=NC=C1 5145 [1,0,1,0,0,0|2,0,0]=4 544 B9R1.6 OB(O)C1=NC=CC=C1 4076 [1,0,1,0,0,0|2,0,0]=4 545 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,1,0,0,0|0,1,0]=3 546 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,1,0,0,0|2,0,0]=4 547 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,1,0,0,0|1,1,0]=4 548 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,1,0,0,0|0,0,2]=4 549 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,1,0,0,0|0,1,1]=4 550 B9R1.12 O=C\C=C\C1=CC=CO1 6949 [1,0,1,0,0,0|2,0,0]=4 551 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [1,0,1,0,0,0|2,0,0]=4 552 B9R1.15 CC1=CC=CC=C1C=O 15511 [1,0,1,0,0,0|1,0,1]=4 553 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,0,1,0,0,0|1,0,1]=4 554 B9R1.15 COC1=C(Br)C=CC=C1 3725 [1,0,1,0,0,0|2,0,0]=4 555 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [1,0,1,0,0,0|2,0,0]=4 556 B9R1.15 COC1=C(F)C=CC=C1 3473 [1,0,1,0,0,0|2,0,0]=4 557 B9R1.15 COC1=C(I)C=CC=C1 3898 [1,0,1,0,0,0|2,0,0]=4 558 B9R1.15 COC1=C(O)C=CN=C1 34289 [1,0,1,0,0,0|2,0,0]=4 559 B9R1.15 COC1=C(S)C=CC=C1 6816 [1,0,1,0,0,0|1,1,0]=4 560 B9R1.15 COC1=CC=CC=C1O 26545 [1,0,1,0,0,0|1,0,0]=3 561 B9R1.15 COC1=CC=CN=C1O 6543 [1,0,1,0,0,0|2,0,0]=4 562 B9R1.15 CSC1=C(O)C=CC=C1 10666 [1,0,1,0,0,0|1,1,0]=4 563 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [1,0,1,0,0,0|0,0,2]=4 564 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [1,0,1,0,0,0|0,0,2]=4 565 B9R1.15 NC1=C(CO)C=CC=C1 7478 [1,0,1,0,0,0|0,0,2]=4 566 B9R1.15 NCC1=C(O)C=CC=C1 7383 [1,0,1,0,0,0|0,0,2]=4 567 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [1,0,1,0,0,0|1,0,1]=4 568 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [1,0,1,0,0,0|1,0,1]=4 569 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [1,0,1,0,0,0|1,0,1]=4 570 B9R1.15 O=CC1=C(O)C=NC=C1 33398 [1,0,1,0,0,0|1,0,1]=4 571 B9R1.15 O=CC1=C(O)N=CC=C1 17177 [1,0,1,0,0,0|1,0,1]=4 572 B9R1.15 O=CC1=NC=CC=C1O 12415 [1,0,1,0,0,0|1,0,1]=4 573 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [1,0,1,0,0,0|1,0,1]=4 574 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [1,0,1,0,0,0|1,0,1]=4 575 B9R1.15 OCC1=C(F)C=CC=C1 3485 [1,0,1,0,0,0|1,0,1]=4 576 B9R1.15 OCC1=C(O)C=CC=C1 21869 [1,0,1,0,0,0|0,0,1]=3 577 B9R1.15 OCC1=NC=CC=C1O 4075 [1,0,1,0,0,0|1,0,1]=4 578 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,1,1,0,0,0|1,0,1]=4 579 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 7571 [0,1,1,0,0,0|0,1,1]=4 580 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [0,1,1,0,0,0|0,0,2]=4 581 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 7575 [0,1,1,0,0,0|0,0,2]=4 582 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 28432 [0,1,1,0,0,0|1,0,0]=3 583 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,1,0,0,0|1,0,1]=4 584 B11R1.23 N\C(=N/O)C1=CC(Cl)=CC=C1 23438 [0,1,1,0,0,0|1,0,0]=3 585 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 10937 [0,1,1,0,0,0|1,0,1]=4 586 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,1,1,0,0,0|2,0,0]=4 587 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,1,0,0,0|1,0,1]=4 588 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,1,0,0,0|1,0,1]=4 589 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,1,0,0,0|1,0,1]=4 590 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,1,1,0,0,0|1,0,1]=4 591 B11R1.28 OCCOCC1=CC=CC=C1 1939 [0,1,1,0,0,0|1,0,1]=4 592 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,1,1,0,0,0|1,0,1]=4 593 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,1,1,0,0,0|2,0,0]=4 594 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,1,1,0,0,0|1,0,1]=4 595 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,1,1,0,0,0|1,0,1]=4 596 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,1,1,0,0,0|1,0,1]=4 597 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [0,1,1,0,0,0|2,0,0]=4 598 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,1,1,0,0,0|2,0,0]=4 599 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [0,1,1,0,0,0|2,0,0]=4 600 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,1,1,0,0,0|2,0,0]=4 601 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [0,1,1,0,0,0|2,0,0]=4 602 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 2644 [0,1,1,0,0,0|1,0,1]=4 603 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 2639 [0,1,1,0,0,0|1,0,1]=4 604 B11R1.37 COC1=C(C=O)C=C(F)C=C1 2636 [0,1,1,0,0,0|1,0,1]=4 605 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 30906 [0,1,1,0,0,0|1,0,1]=4 606 B11R1.37 COC1=C(C=O)C=CC(C)=C1 18122 [0,1,1,0,0,0|1,0,1]=4 607 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 28397 [0,1,1,0,0,0|1,0,1]=4 608 B11R1.37 COC1=C(C=O)C=CC(F)=C1 2635 [0,1,1,0,0,0|1,0,1]=4 609 B11R1.37 COC1=C(C=O)C=CC(O)=C1 8130 [0,1,1,0,0,0|1,0,1]=4 610 B11R1.37 COC1=C(CO)C=C(Br)C=C1 4888 [0,1,1,0,0,0|1,0,1]=4 611 B11R1.37 COC1=C(CO)C=C(F)C=C1 27472 [0,1,1,0,0,0|1,0,1]=4 612 B11R1.37 COC1=C(CO)C=CC(F)=C1 31306 [0,1,1,0,0,0|1,0,1]=4 613 B11R1.41 CCOC1=C(C=O)C=CC=C1 9726 [0,1,1,0,0,0|1,0,1]=4 614 B11R1.41 COC1=C(CC=O)C=CC=C1 17222 [0,1,1,0,0,0|1,0,1]=4 615 B11R1.41 COC1=C(CCO)C=CC=C1 24377 [0,1,1,0,0,0|1,0,1]=4 616 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 19668 [0,1,1,0,0,0|2,0,0]=4 617 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 9869 [0,1,1,0,0,0|2,0,0]=4 618 B11R1.53 COC1=C(B(O)O)C=CC=C1 1865 [0,1,1,0,0,0|2,0,0]=4 619 B11R1.53 COC1=C(C(=O)O)C=CC=C1 18488 [0,1,1,0,0,0|1,0,0]=3 620 B11R1.53 COC1=C(C(=O)O)C=CC=N1 20354 [0,1,1,0,0,0|2,0,0]=4 621 B11R1.53 COC1=C(C(=O)O)C=CN=C1 10457 [0,1,1,0,0,0|2,0,0]=4 622 B11R1.53 COC1=C(C(C)=O)C=CC=C1 4278 [0,1,1,0,0,0|1,0,1]=4 623 B11R1.53 COC1=C(C(C)O)C=CC=C1 25006 [0,1,1,0,0,0|1,0,1]=4 624 B11R1.53 COC1=C(C(N)=S)C=CC=C1 35098 [0,1,1,0,0,0|1,1,0]=4 625 B11R1.53 COC1=CC=CC=C1C(=O)Cl 26362 [0,1,1,0,0,0|1,0,1]=4 626 B11R1.53 COC1=CC=NC=C1C(=O)O 33397 [0,1,1,0,0,0|2,0,0]=4 627 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 10324 [0,1,1,0,0,0|1,1,0]=4 628 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 12513 [0,1,1,0,0,0|1,0,1]=4 629 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 6411 [0,1,1,0,0,0|1,0,1]=4 630 B11R1.53 O=C(O)c1ccccc1CBr 23937 [0,1,1,0,0,0|2,0,0]=4 631 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 7365 [0,1,1,0,0,0|2,0,0]=4 632 B11R1.265 COC1=C(C=O)C(C)=CC=C1 34133 [0,1,1,0,0,0|1,0,1]=4 633 B11R1.265 COC1=C(C=O)C(O)=CC=C1 8210 [0,1,1,0,0,0|1,0,1]=4 634 B11R1.265 COC1=C(C=O)C=CC=C1C 30962 [0,1,1,0,0,0|1,0,1]=4 635 B11R1.265 COC1=C(C=O)C=CC=C1Cl 28396 [0,1,1,0,0,0|1,0,1]=4 636 B11R1.265 COC1=C(C=O)C=CC=C1F 1446 [0,1,1,0,0,0|1,0,1]=4 637 B11R1.265 COC1=CC=CC(Cl)=C1C=O 30889 [0,1,1,0,0,0|1,0,1]=4 638 B11R1.265 COC1=CC=CC(F)=C1C=O 8486 [0,1,1,0,0,0|1,0,1]=4 639 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O 24613 [0,1,1,0,0,0|1,0,1]=4 640 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O 31212 [0,1,1,0,0,0|1,0,1]=4 641 B11R1.156 CC(=O)C1=C(O)C=CC=C1C 31224 [0,1,1,0,0,0|1,0,1]=4 642 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 3378 [0,1,1,0,0,0|1,0,1]=4 643 B11R1.156 CC(=O)c1c(O)cccc1F 28251 [0,1,1,0,0,0|1,0,1]=4 644 B11R1.156 CC1=CC=CC(Br)=C1C(=O)O 4715 [0,1,1,0,0,0|2,0,0]=4 645 B11R1.156 CC1=CC=CC(C)=C1C(=O)O 4951 [0,1,1,0,0,0|2,0,0]=4 646 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O 4568 [0,1,1,0,0,0|2,0,0]=4 647 B11R1.156 CC1=CC=CC(F)=C1C(=O)O 1331 [0,1,1,0,0,0|2,0,0]=4 648 B11R1.156 CC1=CC=CC(N)=C1C(=O)O 4957 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.156 CC1=CC=CC(O)=C1C(=O)O 19633 [0,1,1,0,0,0|1,0,0]=3 650 B11R1.156 NC1=C(C(=O)O)C(Br)=CC=C1 14048 [0,1,1,0,0,0|2,0,0]=4 651 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 9876 [0,1,1,0,0,0|2,0,0]=4 652 B11R1.156 NC1=C(C(=O)O)C(F)=CC=C1 1324 [0,1,1,0,0,0|2,0,0]=4 653 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br 28611 [0,1,1,0,0,0|2,0,0]=4 654 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl 4048 [0,1,1,0,0,0|2,0,0]=4 655 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F 1317 [0,1,1,0,0,0|2,0,0]=4 656 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O 33425 [0,1,1,0,0,0|1,0,0]=3 657 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl 20028 [0,1,1,0,0,0|2,0,0]=4 658 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1F 1372 [0,1,1,0,0,0|2,0,0]=4 659 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1O 30488 [0,1,1,0,0,0|1,0,0]=3 660 B11R1.156 O=C(O)C1=C(F)C=CC=C1F 2274 [0,1,1,0,0,0|2,0,0]=4 661 B11R1.156 O=C(O)C1=C(F)C=CC=C1I 1386 [0,1,1,0,0,0|2,0,0]=4 662 B11R1.156 O=C(O)C1=C(F)C=CC=C1O 4958 [0,1,1,0,0,0|1,0,0]=3 663 B11R1.156 O=C(O)C1=C(O)C=CC=C1O 21431 [0,1,1,0,0,0|1,0,0]=3 664 B11R1.156 OB(O)C1=C(Cl)C=CC=C1O 32633 [0,1,1,0,0,0|2,0,0]=4 665 B11R1.156 OB(O)C1=C(F)C=CC=C1O 32288 [0,1,1,0,0,0|2,0,0]=4 666 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 29262 [0,1,1,0,0,0|1,0,1]=4 667 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 31195 [0,1,1,0,0,0|1,0,1]=4 668 B11R1.159 CC(=O)C1=C(O)C(F)=CC=C1 19786 [0,1,1,0,0,0|1,0,1]=4 669 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 3281 [0,1,1,0,0,0|1,0,1]=4 670 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 33767 [0,1,1,0,0,0|1,0,1]=4 671 B11R1.159 CC(=O)c1cccc(N)c1O 10346 [0,1,1,0,0,0|1,0,1]=4 672 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br 4717 [0,1,1,0,0,0|2,0,0]=4 673 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 8362 [0,1,1,0,0,0|2,0,0]=4 674 B11R1.159 CC1=C(C(=O)O)C=CC=C1F 1329 [0,1,1,0,0,0|2,0,0]=4 675 B11R1.159 CC1=C(C(=O)O)C=CC=C1I 22968 [0,1,1,0,0,0|2,0,0]=4 676 B11R1.159 CC1=C(C(=O)O)C=CC=C1N 10921 [0,1,1,0,0,0|2,0,0]=4 677 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 15694 [0,1,1,0,0,0|2,0,0]=4 678 B11R1.159 CC1=CC=CC(B(O)O)=C1O 33842 [0,1,1,0,0,0|2,0,0]=4 679 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br 3805 [0,1,1,0,0,0|2,0,0]=4 680 B11R1.159 CC1=CC=CC(C(=O)O)=C1C 2549 [0,1,1,0,0,0|2,0,0]=4 681 B11R1.159 CC1=CC=CC(C(=O)O)=C1Cl 4566 [0,1,1,0,0,0|2,0,0]=4 682 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 1328 [0,1,1,0,0,0|2,0,0]=4 683 B11R1.159 CC1=CC=CC(C(=O)O)=C1I 12741 [0,1,1,0,0,0|2,0,0]=4 684 B11R1.159 CC1=CC=CC(C(=O)O)=C1N 4950 [0,1,1,0,0,0|2,0,0]=4 685 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br 9022 [0,1,1,0,0,0|2,0,0]=4 686 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl 4639 [0,1,1,0,0,0|2,0,0]=4 687 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 1356 [0,1,1,0,0,0|2,0,0]=4 688 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 30459 [0,1,1,0,0,0|2,0,0]=4 689 B11R1.159 NC1=C(C(=O)O)C=CC=C1I 22551 [0,1,1,0,0,0|2,0,0]=4 690 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 22539 [0,1,1,0,0,0|2,0,0]=4 691 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 10348 [0,1,1,0,0,0|2,0,0]=4 692 B11R1.159 NC1=CC=CC(C(=O)O)=C1F 2533 [0,1,1,0,0,0|2,0,0]=4 693 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 3145 [0,1,1,0,0,0|2,0,0]=4 694 B11R1.159 NC1=CC=CC(C(=O)O)=C1O 14474 [0,1,1,0,0,0|1,0,0]=3 695 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 28610 [0,1,1,0,0,0|2,0,0]=4 696 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 27754 [0,1,1,0,0,0|2,0,0]=4 697 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 33724 [0,1,1,0,0,0|2,0,0]=4 698 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 1319 [0,1,1,0,0,0|2,0,0]=4 699 B11R1.159 O=C(O)C1=C(Br)C(I)=CC=C1 30460 [0,1,1,0,0,0|2,0,0]=4 700 B11R1.159 O=C(O)C1=C(Br)C(O)=CC=C1 27698 [0,1,1,0,0,0|2,0,0]=4 701 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 26335 [0,1,1,0,0,0|2,0,0]=4 702 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 8198 [0,1,1,0,0,0|2,0,0]=4 703 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 1369 [0,1,1,0,0,0|2,0,0]=4 704 B11R1.159 O=C(O)C1=C(Cl)C(I)=CC=C1 30702 [0,1,1,0,0,0|2,0,0]=4 705 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 30633 [0,1,1,0,0,0|2,0,0]=4 706 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 1318 [0,1,1,0,0,0|2,0,0]=4 707 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 1332 [0,1,1,0,0,0|2,0,0]=4 708 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 1379 [0,1,1,0,0,0|2,0,0]=4 709 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 1383 [0,1,1,0,0,0|2,0,0]=4 710 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 4959 [0,1,1,0,0,0|2,0,0]=4 711 B11R1.159 O=C(O)C1=C(I)C(F)=CC=C1 1387 [0,1,1,0,0,0|2,0,0]=4 712 B11R1.159 O=C(O)C1=C(I)C(O)=CC=C1 28114 [0,1,1,0,0,0|2,0,0]=4 713 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 28569 [0,1,1,0,0,0|1,0,0]=3 714 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 4960 [0,1,1,0,0,0|1,0,0]=3 715 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 3119 [0,1,1,0,0,0|1,0,0]=3 716 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 35541 [0,1,1,0,0,0|2,0,0]=4 717 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 18184 [0,1,1,0,0,0|1,0,0]=3 718 B11R1.159 OB(O)C1=C(O)C(Br)=CC=C1 29584 [0,1,1,0,0,0|2,0,0]=4 719 B11R1.159 OB(O)C1=C(O)C(Cl)=CC=C1 33843 [0,1,1,0,0,0|2,0,0]=4 720 B11R1.159 OB(O)C1=C(O)C(F)=CC=C1 33466 [0,1,1,0,0,0|2,0,0]=4 721 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 19929 [0,1,1,0,0,0|1,0,1]=4 722 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [0,1,1,0,0,0|1,0,1]=4 723 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 29061 [0,1,1,0,0,0|1,0,1]=4 724 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 13252 [0,1,1,0,0,0|1,0,1]=4 725 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 28229 [0,1,1,0,0,0|1,0,1]=4 726 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 3375 [0,1,1,0,0,0|1,0,1]=4 727 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 4029 [0,1,1,0,0,0|2,0,0]=4 728 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 4570 [0,1,1,0,0,0|2,0,0]=4 729 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 1327 [0,1,1,0,0,0|2,0,0]=4 730 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 10924 [0,1,1,0,0,0|2,0,0]=4 731 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [0,1,1,0,0,0|2,0,0]=4 732 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [0,1,1,0,0,0|2,0,0]=4 733 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [0,1,1,0,0,0|2,0,0]=4 734 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [0,1,1,0,0,0|2,0,0]=4 735 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [0,1,1,0,0,0|2,0,0]=4 736 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [0,1,1,0,0,0|2,0,0]=4 737 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 32852 [0,1,1,0,0,0|2,0,0]=4 738 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [0,1,1,0,0,0|1,0,0]=3 739 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 26524 [0,1,1,0,0,0|2,0,0]=4 740 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 13462 [0,1,1,0,0,0|2,0,0]=4 741 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 11211 [0,1,1,0,0,0|2,0,0]=4 742 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 1323 [0,1,1,0,0,0|2,0,0]=4 743 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 22552 [0,1,1,0,0,0|2,0,0]=4 744 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 3109 [0,1,1,0,0,0|2,0,0]=4 745 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 4693 [0,1,1,0,0,0|2,0,0]=4 746 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 23542 [0,1,1,0,0,0|1,0,0]=3 747 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 3856 [0,1,1,0,0,0|2,0,0]=4 748 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 4028 [0,1,1,0,0,0|2,0,0]=4 749 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 1314 [0,1,1,0,0,0|2,0,0]=4 750 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 3586 [0,1,1,0,0,0|2,0,0]=4 751 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 21313 [0,1,1,0,0,0|2,0,0]=4 752 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 1370 [0,1,1,0,0,0|2,0,0]=4 753 B11R1.166 O=C(O)C1=C(Cl)C=C(I)C=C1 10153 [0,1,1,0,0,0|2,0,0]=4 754 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 4561 [0,1,1,0,0,0|2,0,0]=4 755 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 1313 [0,1,1,0,0,0|2,0,0]=4 756 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 1374 [0,1,1,0,0,0|2,0,0]=4 757 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 1336 [0,1,1,0,0,0|2,0,0]=4 758 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 1384 [0,1,1,0,0,0|2,0,0]=4 759 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 2608 [0,1,1,0,0,0|2,0,0]=4 760 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 13466 [0,1,1,0,0,0|2,0,0]=4 761 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 4018 [0,1,1,0,0,0|2,0,0]=4 762 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 1389 [0,1,1,0,0,0|2,0,0]=4 763 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 27646 [0,1,1,0,0,0|2,0,0]=4 764 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 4010 [0,1,1,0,0,0|1,0,0]=3 765 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 3845 [0,1,1,0,0,0|1,0,0]=3 766 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 3493 [0,1,1,0,0,0|1,0,0]=3 767 B11R1.166 O=C(O)C1=C(O)C=C(I)C=C1 3888 [0,1,1,0,0,0|1,0,0]=3 768 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 23193 [0,1,1,0,0,0|2,0,0]=4 769 B11R1.166 OB(O)C1=C(O)C=C(Cl)C=C1 33194 [0,1,1,0,0,0|2,0,0]=4 770 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 32850 [0,1,1,0,0,0|2,0,0]=4 771 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 3913 [0,1,1,0,0,0|1,0,1]=4 772 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 16936 [0,1,1,0,0,0|1,0,1]=4 773 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 3353 [0,1,1,0,0,0|1,0,1]=4 774 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 3356 [0,1,1,0,0,0|1,0,1]=4 775 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 17597 [0,1,1,0,0,0|1,0,1]=4 776 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 3377 [0,1,1,0,0,0|1,0,1]=4 777 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 4728 [0,1,1,0,0,0|2,0,0]=4 778 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 4578 [0,1,1,0,0,0|2,0,0]=4 779 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 1326 [0,1,1,0,0,0|2,0,0]=4 780 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 4520 [0,1,1,0,0,0|2,0,0]=4 781 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 4980 [0,1,1,0,0,0|2,0,0]=4 782 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 25813 [0,1,1,0,0,0|2,0,0]=4 783 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 32853 [0,1,1,0,0,0|2,0,0]=4 784 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 2166 [0,1,1,0,0,0|2,0,0]=4 785 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 28638 [0,1,1,0,0,0|2,0,0]=4 786 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 12501 [0,1,1,0,0,0|2,0,0]=4 787 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 4750 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 4975 [0,1,1,0,0,0|2,0,0]=4 789 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 4954 [0,1,1,0,0,0|2,0,0]=4 790 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 34738 [0,1,1,0,0,0|2,0,0]=4 791 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1O 25792 [0,1,1,0,0,0|0,0,2]=4 792 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 3719 [0,1,1,0,0,0|2,0,0]=4 793 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 3575 [0,1,1,0,0,0|2,0,0]=4 794 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 1322 [0,1,1,0,0,0|2,0,0]=4 795 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 2543 [0,1,1,0,0,0|2,0,0]=4 796 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 15307 [0,1,1,0,0,0|2,0,0]=4 797 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 4637 [0,1,1,0,0,0|2,0,0]=4 798 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 4654 [0,1,1,0,0,0|2,0,0]=4 799 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 1325 [0,1,1,0,0,0|2,0,0]=4 800 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 17623 [0,1,1,0,0,0|1,0,0]=3 801 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 3859 [0,1,1,0,0,0|2,0,0]=4 802 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 3584 [0,1,1,0,0,0|2,0,0]=4 803 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 1315 [0,1,1,0,0,0|2,0,0]=4 804 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 3787 [0,1,1,0,0,0|2,0,0]=4 805 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 30462 [0,1,1,0,0,0|2,0,0]=4 806 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 3587 [0,1,1,0,0,0|2,0,0]=4 807 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 3685 [0,1,1,0,0,0|2,0,0]=4 808 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 1371 [0,1,1,0,0,0|2,0,0]=4 809 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 3649 [0,1,1,0,0,0|2,0,0]=4 810 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 16487 [0,1,1,0,0,0|2,0,0]=4 811 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 1312 [0,1,1,0,0,0|2,0,0]=4 812 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 1375 [0,1,1,0,0,0|2,0,0]=4 813 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 4935 [0,1,1,0,0,0|2,0,0]=4 814 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 1385 [0,1,1,0,0,0|2,0,0]=4 815 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 2260 [0,1,1,0,0,0|2,0,0]=4 816 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 3789 [0,1,1,0,0,0|2,0,0]=4 817 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 3818 [0,1,1,0,0,0|2,0,0]=4 818 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 1391 [0,1,1,0,0,0|2,0,0]=4 819 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 3838 [0,1,1,0,0,0|2,0,0]=4 820 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 1382 [0,1,1,0,0,0|1,0,0]=3 821 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 3889 [0,1,1,0,0,0|1,0,0]=3 822 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 14414 [0,1,1,0,0,0|1,0,0]=3 823 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=C1 2602 [0,1,1,0,0,0|2,0,0]=4 824 B11R1.167 O=C(O)C1=C(O)N=CC(Cl)=C1 12990 [0,1,1,0,0,0|2,0,0]=4 825 B11R1.167 O=C(O)C1=C(O)N=CC(F)=C1 10622 [0,1,1,0,0,0|2,0,0]=4 826 B11R1.167 O=C(O)C1=C(S)C=CC(F)=C1 24688 [0,1,1,0,0,0|1,1,0]=4 827 B11R1.167 O=C([O-])C1=C(O)C=CC(Br)=C1 25682 [0,1,1,0,0,0|1,0,1]=4 828 B11R1.167 O=C([O-])C1=C(O)C=CC(Br)=C1 26261 [0,1,1,0,0,0|1,0,1]=4 829 B11R1.167 O=C1C=C(C(=O)O)C(O)=CN1 23617 [0,1,1,0,0,0|2,0,0]=4 830 B11R1.167 OB(O)C1=C(O)C=CC(Cl)=C1 19653 [0,1,1,0,0,0|2,0,0]=4 831 B11R1.167 OB(O)C1=C(O)C=CC(F)=C1 19871 [0,1,1,0,0,0|2,0,0]=4 832 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,1,0,0,0,0|1,0,0]=3 833 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [1,1,0,0,0,0|2,0,0]=4 834 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [1,1,0,0,0,0|2,0,0]=4 835 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,1,0,0,0,0|2,0,0]=4 836 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,1,0,0,0,0|2,0,0]=4 837 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [1,1,0,0,0,0|2,0,0]=4 838 B11R2.10 CN1C=C2C=CC=CC2=N1 15667 [1,1,0,0,0,0|1,0,1]=4 839 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [1,1,0,0,0,0|2,0,0]=4 840 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [1,1,0,0,0,0|2,0,0]=4 841 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [1,1,0,0,0,0|1,0,1]=4 842 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [1,1,0,0,0,0|2,0,0]=4 843 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [1,1,0,0,0,0|2,0,0]=4 844 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [1,1,0,0,0,0|1,0,1]=4 845 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 34235 [1,1,0,0,0,0|2,0,0]=4 846 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 22017 [1,1,0,0,0,0|1,0,0]=3 847 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 17145 [1,1,0,0,0,0|2,0,0]=4 848 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [1,1,0,0,0,0|1,0,1]=4 849 B11R2.36 BrC1=CC2=C(C=C1)OCO2 3738 [1,1,0,0,0,0|2,0,0]=4 850 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 15353 [1,1,0,0,0,0|1,1,0]=4 851 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 7752 [1,1,0,0,0,0|1,1,0]=4 852 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 28003 [1,1,0,0,0,0|1,0,0]=3 853 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 27849 [1,1,0,0,0,0|1,1,0]=4 854 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 28066 [1,1,0,0,0,0|2,0,0]=4 855 B11R2.36 BrC1=CC2=CN=CN2C=C1 35196 [1,1,0,0,0,0|2,0,0]=4 856 B11R2.36 BrC1=CC2=CN=NN2C=C1 27801 [1,1,0,0,0,0|2,0,0]=4 857 B11R2.36 BrC1=CC=C2C=CNC2=C1 1662 [1,1,0,0,0,0|2,0,0]=4 858 B11R2.36 BrC1=CC=C2C=NNC2=C1 34367 [1,1,0,0,0,0|1,0,0]=3 859 B11R2.36 BrC1=CC=C2C=NNC2=N1 32575 [1,1,0,0,0,0|2,0,0]=4 860 B11R2.36 BrC1=CC=C2NC=CC2=C1 1661 [1,1,0,0,0,0|2,0,0]=4 861 B11R2.36 BrC1=CC=C2NN=CC2=C1 15628 [1,1,0,0,0,0|1,0,0]=3 862 B11R2.36 BrC1=CC=C2NN=CC2=N1 32994 [1,1,0,0,0,0|2,0,0]=4 863 B11R2.36 BrC1=CN=C2C=NNC2=C1 32997 [1,1,0,0,0,0|2,0,0]=4 864 B11R2.36 BrC1=CN=C2NN=CC2=C1 17877 [1,1,0,0,0,0|2,0,0]=4 865 B11R2.36 BrC1=CN=C2OC=CC2=C1 26778 [1,1,0,0,0,0|2,0,0]=4 866 B11R2.36 BrC1=NC=C2NN=CC2=C1 14720 [1,1,0,0,0,0|2,0,0]=4 867 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [1,1,0,0,0,0|1,0,0]=3 868 B11R2.36 CC1=CC2=C(C=C1)OC=N2 8638 [1,1,0,0,0,0|2,0,0]=4 869 B11R2.36 CC1=CC2=C(C=CS2)C=C1 15767 [1,1,0,0,0,0|1,1,0]=4 870 B11R2.36 CC1=CC=C2C=CNC2=C1 7240 [1,1,0,0,0,0|2,0,0]=4 871 B11R2.36 CC1=CC=C2C=NNC2=N1 33056 [1,1,0,0,0,0|2,0,0]=4 872 B11R2.36 CC1=CC=C2NC=CC2=C1 7238 [1,1,0,0,0,0|2,0,0]=4 873 B11R2.36 CC1=CC=C2NN=CC2=C1 7832 [1,1,0,0,0,0|1,0,0]=3 874 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 28012 [1,1,0,0,0,0|1,0,0]=3 875 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 8712 [1,1,0,0,0,0|2,0,0]=4 876 B11R2.36 ClC1=CC2=C(C=C1)OCO2 3620 [1,1,0,0,0,0|2,0,0]=4 877 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 32456 [1,1,0,0,0,0|1,0,0]=3 878 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 32442 [1,1,0,0,0,0|1,1,0]=4 879 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 26267 [1,1,0,0,0,0|2,0,0]=4 880 B11R2.36 ClC1=CC=C2C=CNC2=C1 1669 [1,1,0,0,0,0|2,0,0]=4 881 B11R2.36 ClC1=CC=C2C=NNC2=C1 20592 [1,1,0,0,0,0|1,0,0]=3 882 B11R2.36 ClC1=CC=C2C=NNC2=N1 28073 [1,1,0,0,0,0|2,0,0]=4 883 B11R2.36 ClC1=CC=C2NC=CC2=C1 1668 [1,1,0,0,0,0|2,0,0]=4 884 B11R2.36 ClC1=CN=C2C=NNC2=C1 32996 [1,1,0,0,0,0|2,0,0]=4 885 B11R2.36 ClC1=CN=C2NN=CC2=C1 32570 [1,1,0,0,0,0|2,0,0]=4 886 B11R2.36 ClC1=NC=C2NN=CC2=C1 28065 [1,1,0,0,0,0|2,0,0]=4 887 B11R2.36 FC1=CC2=C(C=C1)OC=C2 16047 [1,1,0,0,0,0|1,0,0]=3 888 B11R2.36 FC1=CC2=C(C=C1)OC=N2 21888 [1,1,0,0,0,0|2,0,0]=4 889 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [1,1,0,0,0,0|1,0,1]=4 890 B11R2.36 FC1=CC2=C(C=C1)SC=C2 16046 [1,1,0,0,0,0|1,1,0]=4 891 B11R2.36 FC1=CC2=C(C=CS2)C=C1 34529 [1,1,0,0,0,0|1,1,0]=4 892 B11R2.36 FC1=CC=C2C=CNC2=C1 1682 [1,1,0,0,0,0|2,0,0]=4 893 B11R2.36 FC1=CC=C2C=NNC2=C1 12467 [1,1,0,0,0,0|1,0,0]=3 894 B11R2.36 FC1=CC=C2NC=CC2=C1 1681 [1,1,0,0,0,0|2,0,0]=4 895 B11R2.36 FC1=CN=C2NN=CC2=C1 32571 [1,1,0,0,0,0|2,0,0]=4 896 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [1,1,0,0,0,0|1,0,1]=4 897 B11R2.36 IC1=CC2=C(C=C1)OCO2 33795 [1,1,0,0,0,0|2,0,0]=4 898 B11R2.36 IC1=CC=C2C=NNC2=C1 18081 [1,1,0,0,0,0|1,0,0]=3 899 B11R2.36 IC1=CC=C2NC=CC2=C1 27398 [1,1,0,0,0,0|2,0,0]=4 900 B11R2.36 IC1=CC=C2NN=CC2=C1 20575 [1,1,0,0,0,0|1,0,0]=3 901 B11R2.36 NC1=CC2=C(C=C1)C=NO2 24258 [1,1,0,0,0,0|0,0,0]=2 902 B11R2.36 NC1=CC2=C(C=C1)N=CO2 17704 [1,1,0,0,0,0|2,0,0]=4 903 B11R2.36 NC1=CC2=C(C=C1)OC=N2 34838 [1,1,0,0,0,0|2,0,0]=4 904 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [1,1,0,0,0,0|1,0,1]=4 905 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [1,1,0,0,0,0|1,0,1]=4 906 B11R2.36 NC1=CC2=C(C=C1)OCO2 22150 [1,1,0,0,0,0|2,0,0]=4 907 B11R2.36 NC1=CC2=C(C=C1)SC=C2 27144 [1,1,0,0,0,0|1,1,0]=4 908 B11R2.36 NC1=CC2=C(C=CS2)C=C1 34225 [1,1,0,0,0,0|1,1,0]=4 909 B11R2.36 NC1=CC=C2C=CNC2=C1 7311 [1,1,0,0,0,0|2,0,0]=4 910 B11R2.36 NC1=CC=C2C=NNC2=C1 20593 [1,1,0,0,0,0|1,0,0]=3 911 B11R2.36 NC1=CC=C2NC=CC2=C1 7234 [1,1,0,0,0,0|2,0,0]=4 912 B11R2.36 NC1=CC=C2NN=CC2=C1 8628 [1,1,0,0,0,0|1,0,0]=3 913 B11R2.36 NC1=NC=C2NN=CC2=C1 34728 [1,1,0,0,0,0|2,0,0]=4 914 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [1,1,0,0,0,0|1,0,1]=4 915 B11R2.36 OC1=CC2=C(C=C1)OC=C2 34267 [1,1,0,0,0,0|1,0,0]=3 916 B11R2.36 OC1=CC2=C(C=C1)OCO2 15359 [1,1,0,0,0,0|2,0,0]=4 917 B11R2.36 OC1=CC2=C(C=CO2)C=C1 28025 [1,1,0,0,0,0|1,0,0]=3 918 B11R2.36 OC1=CC2=C(C=CS2)C=C1 33018 [1,1,0,0,0,0|1,1,0]=4 919 B11R2.36 OC1=CC=C2C=CNC2=C1 7261 [1,1,0,0,0,0|2,0,0]=4 920 B11R2.36 OC1=CC=C2C=NNC2=C1 15662 [1,1,0,0,0,0|1,0,0]=3 921 B11R2.36 OC1=CC=C2NC=CC2=C1 7263 [1,1,0,0,0,0|2,0,0]=4 922 B11R2.36 OC1=CC=C2NN=CC2=C1 15661 [1,1,0,0,0,0|1,0,0]=3 923 B11R2.36 SC1=CC2=C(C=C1)OCO2 15612 [1,1,0,0,0,0|2,0,0]=4 924 B11R2.106 BrC1=C2C=CNC2=CC=C1 7449 [1,1,0,0,0,0|2,0,0]=4 925 B11R2.106 BrC1=C2C=NNC2=CC=C1 7834 [1,1,0,0,0,0|1,0,0]=3 926 B11R2.106 BrC1=C2C=NNC2=CN=C1 33384 [1,1,0,0,0,0|2,0,0]=4 927 B11R2.106 BrC1=C2C=NNC2=NC=C1 20574 [1,1,0,0,0,0|2,0,0]=4 928 B11R2.106 BrC1=C2NC=CC2=CC=C1 7318 [1,1,0,0,0,0|2,0,0]=4 929 B11R2.106 BrC1=C2NN=CC2=CC=C1 14406 [1,1,0,0,0,0|1,0,0]=3 930 B11R2.106 BrC1=C2NN=CC2=CC=N1 33006 [1,1,0,0,0,0|2,0,0]=4 931 B11R2.106 BrC1=C2NN=CC2=NC=C1 25765 [1,1,0,0,0,0|2,0,0]=4 932 B11R2.106 BrC1=CC=CC2=C1C=CO2 32457 [1,1,0,0,0,0|1,0,0]=3 933 B11R2.106 BrC1=CC=CC2=C1C=CS2 27999 [1,1,0,0,0,0|1,1,0]=4 934 B11R2.106 BrC1=CC=CC2=C1OC=C2 27867 [1,1,0,0,0,0|1,0,0]=3 935 B11R2.106 BrC1=CC=CC2=C1OCC2 34424 [1,1,0,0,0,0|1,0,1]=4 936 B11R2.106 BrC1=CC=CC2=C1OCO2 32045 [1,1,0,0,0,0|2,0,0]=4 937 B11R2.106 BrC1=CC=CC2=C1SC=C2 34196 [1,1,0,0,0,0|1,1,0]=4 938 B11R2.106 BrC1=CN=CC2=C1NN=C2 32594 [1,1,0,0,0,0|2,0,0]=4 939 B11R2.106 BrC1=NC=CC2=C1C=NN2 32590 [1,1,0,0,0,0|2,0,0]=4 940 B11R2.106 CC1=C2C=CNC2=CC=C1 7233 [1,1,0,0,0,0|2,0,0]=4 941 B11R2.106 CC1=C2NC=CC2=CC=C1 7243 [1,1,0,0,0,0|2,0,0]=4 942 B11R2.106 CC1=CC=CC2=C1C=CS2 27877 [1,1,0,0,0,0|1,1,0]=4 943 B11R2.106 CC1=CC=CC2=C1OC=C2 28017 [1,1,0,0,0,0|1,0,0]=3 944 B11R2.106 CC1=CC=CC2=C1SC=C2 32444 [1,1,0,0,0,0|1,1,0]=4 945 B11R2.106 ClC1=C2C=CNC2=CC=C1 7232 [1,1,0,0,0,0|2,0,0]=4 946 B11R2.106 ClC1=C2C=NNC2=CC=C1 21945 [1,1,0,0,0,0|1,0,0]=3 947 B11R2.106 ClC1=C2C=NNC2=CN=C1 33385 [1,1,0,0,0,0|2,0,0]=4 948 B11R2.106 ClC1=C2C=NNC2=NC=C1 28067 [1,1,0,0,0,0|2,0,0]=4 949 B11R2.106 ClC1=C2CC=CC2=CC=C1 5384 [1,1,0,0,0,0|2,0,0]=4 950 B11R2.106 ClC1=C2NC=CC2=CC=C1 3195 [1,1,0,0,0,0|2,0,0]=4 951 B11R2.106 ClC1=C2NN=CC2=CC=N1 33382 [1,1,0,0,0,0|2,0,0]=4 952 B11R2.106 ClC1=C2NN=CC2=NC=C1 32998 [1,1,0,0,0,0|2,0,0]=4 953 B11R2.106 ClC1=CC=CC2=C1C=CO2 10451 [1,1,0,0,0,0|1,0,0]=3 954 B11R2.106 ClC1=CC=CC2=C1C=CS2 32446 [1,1,0,0,0,0|1,1,0]=4 955 B11R2.106 ClC1=CC=CC2=C1OC=C2 28022 [1,1,0,0,0,0|1,0,0]=3 956 B11R2.106 ClC1=CC=CC2=C1SC=C2 33790 [1,1,0,0,0,0|1,1,0]=4 957 B11R2.106 ClC1=CN=CC2=C1NN=C2 32595 [1,1,0,0,0,0|2,0,0]=4 958 B11R2.106 ClC1=NC=CC2=C1C=CO2 21417 [1,1,0,0,0,0|2,0,0]=4 959 B11R2.106 ClC1=NC=CC2=C1C=NN2 18029 [1,1,0,0,0,0|2,0,0]=4 960 B11R2.106 FC1=C2C=CNC2=CC=C1 7297 [1,1,0,0,0,0|2,0,0]=4 961 B11R2.106 FC1=C2C=NNC2=CN=C1 33383 [1,1,0,0,0,0|2,0,0]=4 962 B11R2.106 FC1=C2NC=CC2=CC=C1 7294 [1,1,0,0,0,0|2,0,0]=4 963 B11R2.106 FC1=C2NN=CC2=CC=C1 34733 [1,1,0,0,0,0|1,0,0]=3 964 B11R2.106 FC1=CC=CC2=C1C=CO2 15663 [1,1,0,0,0,0|1,0,0]=3 965 B11R2.106 FC1=CC=CC2=C1C=CS2 28000 [1,1,0,0,0,0|1,1,0]=4 966 B11R2.106 FC1=CC=CC2=C1OC=C2 28023 [1,1,0,0,0,0|1,0,0]=3 967 B11R2.106 FC1=CC=CC2=C1SC=C2 32445 [1,1,0,0,0,0|1,1,0]=4 968 B11R2.106 IC1=C2C=NNC2=CC=C1 21944 [1,1,0,0,0,0|1,0,0]=3 969 B11R2.106 IC1=C2C=NNC2=NC=C1 32573 [1,1,0,0,0,0|2,0,0]=4 970 B11R2.106 IC1=C2NN=CC2=CC=C1 20887 [1,1,0,0,0,0|1,0,0]=3 971 B11R2.106 NC1=C2C=CNC2=CC=C1 7310 [1,1,0,0,0,0|2,0,0]=4 972 B11R2.106 NC1=C2N=COC2=CC=C1 27744 [1,1,0,0,0,0|2,0,0]=4 973 B11R2.106 NC1=C2NN=CC2=CC=C1 20891 [1,1,0,0,0,0|1,0,0]=3 974 B11R2.106 NC1=C2OC=CC2=NC=C1 26912 [1,1,0,0,0,0|2,0,0]=4 975 B11R2.106 NC1=C2OCOC2=CC=C1 35364 [1,1,0,0,0,0|2,0,0]=4 976 B11R2.106 NC1=CC=CC2=C1C=CS2 30428 [1,1,0,0,0,0|1,1,0]=4 977 B11R2.106 NC1=CC=CC2=C1C=NN2 20573 [1,1,0,0,0,0|1,0,0]=3 978 B11R2.106 NC1=CC=CC2=C1SC=C2 34224 [1,1,0,0,0,0|1,1,0]=4 979 B11R2.106 O=C1NC=CC2=C1C=CO2 14999 [1,1,0,0,0,0|2,0,0]=4 980 B11R2.106 OC1=C2C=CNC2=CC=C1 7262 [1,1,0,0,0,0|2,0,0]=4 981 B11R2.106 OC1=C2N=COC2=CC=C1 34840 [1,1,0,0,0,0|2,0,0]=4 982 B11R2.106 OC1=C2NC=CC2=CC=C1 7345 [1,1,0,0,0,0|2,0,0]=4 983 B11R2.106 OC1=C2NN=CC2=CC=C1 15664 [1,1,0,0,0,0|1,0,0]=3 984 B11R2.106 OC1=CC=CC2=C1C=CO2 28011 [1,1,0,0,0,0|1,0,0]=3 985 B11R2.106 OC1=CC=CC2=C1C=CS2 16414 [1,1,0,0,0,0|1,1,0]=4 986 B11R2.106 OC1=CC=CC2=C1OC=C2 32455 [1,1,0,0,0,0|1,0,0]=3 987 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 27750 [0,1,0,0,0,1|2,0,0]=4 988 B13R2.32 O=C1C2=C(C=CC=C2)N=NN1O 10502 [0,1,0,0,0,1|2,0,0]=4 989 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 22909 [0,1,0,0,0,1|2,0,0]=4 990 B13R2.57 BrCC1=CC2=CC=CC=C2C=N1 23798 [0,1,0,0,0,1|2,0,0]=4 991 B13R2.57 COC1=CC2=CC=CC=C2C=C1 29075 [0,1,0,0,0,1|2,0,0]=4 992 B13R2.57 COC1=NC2=CC=CC=C2C=C1 23493 [0,1,0,0,0,1|2,0,0]=4 993 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 16887 [0,1,0,0,0,1|2,0,0]=4 994 B13R2.57 OC[C@@H]1COC2=C(C=CC=C2)O1 11339 [0,1,0,0,0,1|1,0,1]=4 995 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 11340 [0,1,0,0,0,1|1,0,1]=4 996 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=N1 14676 [0,1,0,0,0,1|2,0,0]=4 997 B13R2.155 FC1=CC=C2C=NC(Cl)=NC2=C1 14313 [0,1,0,0,0,1|2,0,0]=4 998 B13R2.155 NC1=CC2=CC(Br)=CC=C2C=N1 14694 [0,1,0,0,0,1|2,0,0]=4 999 B13R2.155 NC1=NC2=CC(Cl)=CC=C2C=N1 14697 [0,1,0,0,0,1|2,0,0]=4 1000 B13R2.155 NC1=NC2=CC(F)=CC=C2C=N1 14314 [0,1,0,0,0,1|2,0,0]=4 1001 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 16746 [0,1,0,0,0,1|1,0,1]=4 1002 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 27691 [0,1,0,0,0,1|1,0,1]=4 1003 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 27892 [0,1,0,0,0,1|1,0,1]=4 1004 B13R2.155 O=C1COC2=CC=C(Br)C=C2C1 18399 [0,1,0,0,0,1|1,0,1]=4 1005 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 18387 [0,1,0,0,0,1|1,0,1]=4 1006 B13R2.155 O=C1COC2=CC=C(F)C=C2C1 18379 [0,1,0,0,0,1|1,0,1]=4 1007 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 32314 [0,1,0,0,0,1|2,0,0]=4 1008 B13R2.155 OC1=NC2=CC(Br)=CC=C2N=C1 20306 [0,1,0,0,0,1|2,0,0]=4 1009 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=N1 14678 [0,1,0,0,0,1|2,0,0]=4 1010 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [0,1,0,0,0,1|2,0,0]=4 1011 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 27628 [0,1,0,0,0,1|1,0,1]=4 1012 B13R2.162 O=C1COC2=CC=CC(Br)=C2C1 18371 [0,1,0,0,0,1|1,0,1]=4 1013 B13R2.162 O=C1COC2=CC=CC(Cl)=C2C1 18193 [0,1,0,0,0,1|1,0,1]=4 1014 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 7554 [0,1,0,0,0,1|2,0,0]=4 1015 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 5862 [0,1,0,0,0,1|2,0,0]=4 1016 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 19783 [0,1,0,0,0,1|2,0,0]=4 1017 B13R2.328 CC1=CC2=CC=CC=C2C(O)=N1 27723 [0,1,0,0,0,1|2,0,0]=4 1018 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 7254 [0,1,0,0,0,1|2,0,0]=4 1019 B13R2.328 ClC1=NC2=CC=CC=C2C(Cl)=N1 9668 [0,1,0,0,0,1|2,0,0]=4 1020 B13R2.328 NC1=NC2=CC=CC=C2C(O)=N1 27783 [0,1,0,0,0,1|2,0,0]=4 1021 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 7556 [0,1,0,0,0,1|2,0,0]=4 1022 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 26197 [0,1,0,0,0,1|2,0,0]=4 1023 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 9671 [0,1,0,0,0,1|1,0,0]=3 1024 B13R2.369 CC1=NC2=CC=CC=C2N=C1O 15424 [0,1,0,0,0,1|2,0,0]=4 1025 B13R2.369 OC1=NC2=CC=CC=C2N=C1O 25656 [0,1,0,0,0,1|2,0,0]=4 1026 B13R2.3683 BrC1=CC=C2N=C(I)N=CC2=C1 33957 [0,1,0,0,0,1|2,0,0]=4 1027 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 33548 [0,1,0,0,0,1|2,0,0]=4 1028 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=N1 14677 [0,1,0,0,0,1|2,0,0]=4 1029 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 14302 [0,1,0,0,0,1|2,0,0]=4 1030 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=N1 16392 [0,1,0,0,0,1|2,0,0]=4 1031 B13R2.3683 NC1=NC2=CC=C(Cl)C=C2C=N1 17841 [0,1,0,0,0,1|2,0,0]=4 1032 B13R2.3683 NC1=NC2=CC=C(F)C=C2C=N1 14303 [0,1,0,0,0,1|2,0,0]=4 1033 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 27579 [0,1,0,0,0,1|1,0,1]=4 1034 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 27740 [0,1,0,0,0,1|1,0,1]=4 1035 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 27734 [0,1,0,0,0,1|1,0,1]=4 1036 B13R2.3683 O=C1COC2=CC(Br)=CC=C2C1 18376 [0,1,0,0,0,1|1,0,1]=4 1037 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2C1 18375 [0,1,0,0,0,1|1,0,1]=4 1038 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 18374 [0,1,0,0,0,1|1,0,1]=4 1039 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 35223 [0,1,0,0,0,1|1,0,1]=4 1040 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 2170 [0,1,0,0,0,1|2,0,0]=4 1041 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 27928 [0,1,0,0,0,1|2,0,0]=4 1042 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 27847 [0,1,0,0,0,1|2,0,0]=4 1043 B13R2.5179 NC1=NC2=CC=CC(Cl)=C2C=N1 14696 [0,1,0,0,0,1|2,0,0]=4 1044 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 18173 [0,1,0,0,0,1|1,0,1]=4 1045 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 27895 [0,1,0,0,0,1|1,0,1]=4 1046 B13R2.342 ClC1=NC=CC2=C(Br)C=CC=C12 27900 [0,1,0,0,0,1|2,0,0]=4 1047 B13R2.342 ClC1=NC=NC2=C(Br)C=CC=C12 14636 [0,1,0,0,0,1|2,0,0]=4 1048 B13R2.342 ClC1=NC=NC2=C(Cl)C=CC=C12 14629 [0,1,0,0,0,1|2,0,0]=4 1049 B13R2.342 NC1=C2C=CN=C(Cl)C2=CC=C1 6280 [0,1,0,0,0,1|2,0,0]=4 1050 B13R2.342 NC1=C2C=NC=C(Br)C2=CC=C1 31674 [0,1,0,0,0,1|2,0,0]=4 1051 B13R2.342 NC1=NC=CC2=C(Br)C=CC=C12 27899 [0,1,0,0,0,1|2,0,0]=4 1052 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 17914 [0,1,0,0,0,1|1,0,1]=4 1053 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 17913 [0,1,0,0,0,1|1,0,1]=4 1054 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 9712 [0,1,0,0,0,1|1,0,1]=4 1055 B13R2.342 O=C1CCOC2=C(I)C=CC=C12 17915 [0,1,0,0,0,1|1,0,1]=4 1056 B13R2.342 O=C1NN=CC2=C(F)C=CC=C12 33496 [0,1,0,0,0,1|1,0,1]=4 1057 B13R2.342 OC1=CC=CC2=C(O)C=CC=C12 22990 [0,1,0,0,0,1|2,0,0]=4 1058 B13R2.342 OC1=CC=CC2=C1C=CN=C2O 23962 [0,1,0,0,0,1|1,0,0]=3 1059 B13R2.342 OC1=CC=NC2=C(Br)C=CC=C12 18682 [0,1,0,0,0,1|2,0,0]=4 1060 B13R2.342 OC1=CC=NC2=C(F)C=CC=C12 5899 [0,1,0,0,0,1|2,0,0]=4 1061 B13R2.342 OC1=NC=CC2=C(Br)C=CC=C12 27902 [0,1,0,0,0,1|1,0,0]=3 1062 B13R2.371 CC1=CN=C(Br)C2=CC=CC=C12 34369 [0,1,0,0,0,1|2,0,0]=4 1063 B13R2.371 CC1=CN=C(Cl)C2=CC=CC=C12 33682 [0,1,0,0,0,1|2,0,0]=4 1064 B13R2.371 ClC1=NC=C(Br)C2=CC=CC=C21 17851 [0,1,0,0,0,1|2,0,0]=4 1065 B13R2.371 ClC1=NN=C(Cl)C2=CC=CC=C21 23238 [0,1,0,0,0,1|2,0,0]=4 1066 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 34809 [0,1,0,0,0,1|2,0,0]=4 1067 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 35375 [0,1,0,0,0,1|2,0,0]=4 1068 B13R2.371 NC1=NC=C(Br)C2=CC=CC=C21 18937 [0,1,0,0,0,1|2,0,0]=4 1069 B13R2.371 OC1=C2N=CC=CC2=C(Br)C=N1 23162 [0,1,0,0,0,1|2,0,0]=4 1070 B13R2.371 OC1=CC=C(Br)C2=CC=CC=C12 35501 [0,1,0,0,0,1|2,0,0]=4 1071 B13R2.371 OC1=CC=C(Cl)C2=CC=CC=C12 34669 [0,1,0,0,0,1|2,0,0]=4 1072 B13R2.371 OC1=CN=C(Cl)C2=CC=CC=C12 18457 [0,1,0,0,0,1|1,0,0]=3 1073 B13R2.1613 CCC1=NC=CC2=CC=CC=C21 17033 [0,1,0,0,0,1|2,0,0]=4 1074 B13R2.1613 N#CC1=CN=CC2=CC=CC=C12 16890 [0,1,0,0,0,1|2,0,0]=4 1075 B13R2.1613 N#CC1=NC=CC2=CC=CC=C21 6269 [0,1,0,0,0,1|2,0,0]=4 1076 B13R2.1613 N\N=C1\NN=CC2=CC=CC=C21 25693 [0,1,0,0,0,1|2,0,0]=4 1077 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 15962 [0,1,0,0,0,1|1,0,1]=4 1078 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 23792 [0,1,0,0,0,1|1,0,1]=4 1079 B13R2.1613 OCC1=CC=CC2=CC=CC=C21 18751 [0,1,0,0,0,1|2,0,0]=4 1080 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 27773 [0,1,0,0,0,1|2,0,0]=4 1081 B13R2.4818 ClC1=NC=NC2=CC=CC(Br)=C21 23153 [0,1,0,0,0,1|2,0,0]=4 1082 B13R2.4818 ClC1=NC=NC2=CC=CC(Cl)=C21 18630 [0,1,0,0,0,1|2,0,0]=4 1083 B13R2.4818 FC1=C2C(=CC=C1)N=CN=C2Cl 14648 [0,1,0,0,0,1|2,0,0]=4 1084 B13R2.4818 NC1=NC=NC2=CC=CC(Br)=C21 25295 [0,1,0,0,0,1|2,0,0]=4 1085 B13R2.4818 NC1=NC=NC2=CC=CC(F)=C21 14473 [0,1,0,0,0,1|2,0,0]=4 1086 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 17920 [0,1,0,0,0,1|1,0,1]=4 1087 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 17919 [0,1,0,0,0,1|1,0,1]=4 1088 B13R2.4818 O=C1CCOC2=CC=CC(F)=C12 17918 [0,1,0,0,0,1|1,0,1]=4 1089 B13R2.4818 O=C1CCOC2=CC=CC(I)=C12 17921 [0,1,0,0,0,1|1,0,1]=4 1090 B13R2.4818 OC1=CC=CC2=CC=CC(O)=C12 24589 [0,1,0,0,0,1|2,0,0]=4 1091 B13R2.4818 OC1=NC=NC2=CC=CC(F)=C21 6307 [0,1,0,0,0,1|1,0,0]=3 1092 B13R2.1 N#CCC1=COC2=C1C=CC=C2 7006 [0,2,0,0,0,0|2,0,0]=4 1093 B13R2.1 NCCC1=NNC2=CC=CC=C21 11854 [0,2,0,0,0,0|2,0,0]=4 1094 B13R2.1 OCCC1=CNC2=CC=CC=C12 15625 [0,2,0,0,0,0|2,0,0]=4 1095 B13R2.9 CC1=C2NN=C(C#N)C2=CC=C1 7812 [0,2,0,0,0,0|2,0,0]=4 1096 B13R2.9 CC1=C2NN=C(C=O)C2=CC=C1 7833 [0,2,0,0,0,0|1,0,1]=4 1097 B13R2.72 CC(=O)C1=NNC2=CC=CC=C21 11851 [0,2,0,0,0,0|1,0,1]=4 1098 B13R2.72 NC(=S)C1=NNC2=CC=CC=C21 11860 [0,2,0,0,0,0|1,1,0]=4 1099 B13R2.72 O=C(O)C1=CCC2=CC=CC=C21 35527 [0,2,0,0,0,0|2,0,0]=4 1100 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 1692 [0,2,0,0,0,0|2,0,0]=4 1101 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 13463 [0,2,0,0,0,0|1,1,0]=4 1102 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 15666 [0,2,0,0,0,0|1,0,0]=3 1103 B13R2.72 OB(O)C1=CNC2=CC=CC=C21 11075 [0,2,0,0,0,0|2,0,0]=4 1104 B13R2.662 N#CC1=NNC2=CC(Br)=CC=C21 7813 [0,2,0,0,0,0|2,0,0]=4 1105 B13R2.662 N#CC1=NNC2=CC(F)=CC=C21 34546 [0,2,0,0,0,0|2,0,0]=4 1106 B13R2.662 O=CC1=NNC2=CC(Br)=CC=C21 7806 [0,2,0,0,0,0|1,0,1]=4 1107 B13R2.2136 CC1=CC=C2NN=C(C#N)C2=C1 7811 [0,2,0,0,0,0|2,0,0]=4 1108 B13R2.2136 CC1=CC=C2NN=C(C=O)C2=C1 7823 [0,2,0,0,0,0|1,0,1]=4 1109 B13R2.2136 CCC1=NNC2=CC=C(Br)C=C21 22020 [0,2,0,0,0,0|2,0,0]=4 1110 B13R2.2136 N#CC1=NNC2=CC=C(Br)C=C21 7808 [0,2,0,0,0,0|2,0,0]=4 1111 B13R2.2136 N#CC1=NNC2=CC=C(Cl)C=C21 7814 [0,2,0,0,0,0|2,0,0]=4 1112 B13R2.2136 O=CC1=COC2=C1C=C(Br)C=C2 27767 [0,2,0,0,0,0|1,0,1]=4 1113 B13R2.2136 O=CC1=NNC2=CC=C(Br)C=C21 7821 [0,2,0,0,0,0|1,0,1]=4 1114 B13R2.2136 O=CC1=NNC2=CC=C(Cl)C=C21 7807 [0,2,0,0,0,0|1,0,1]=4 1115 B13R2.669 CC1=NNC2=CC=C(C#N)C=C21 28050 [0,2,0,0,0,0|2,0,0]=4 1116 B13R2.669 CC1=NNC2=CC=C(C=O)C=C21 32536 [0,2,0,0,0,0|2,0,0]=4 1117 B13R2.669 COC1=CC2=C(C=C1)OCC2=O 18008 [0,2,0,0,0,0|1,0,1]=4 1118 B13R2.669 N#CC1=CC=C2NN=C(Br)C2=C1 23218 [0,2,0,0,0,0|2,0,0]=4 1119 B13R2.3742 O=C1COC2=C1C=C(Cl)C=C2Cl 28030 [0,2,0,0,0,0|1,0,1]=4 1120 B13R2.3790 CC1=NNC2=CC=C(Br)C(F)=C21 32542 [0,2,0,0,0,0|2,0,0]=4 1121 B13R2.5187 CN1N=C(Br)C2=CC=C(N)C=C21 22113 [0,2,0,0,0,0|2,0,0]=4 1122 B13R2.5187 CN1N=C(N)C2=CC=C(O)C=C21 34752 [0,2,0,0,0,0|2,0,0]=4 1123 B13R2.11634 CC1=NNC2=CC(F)=C(Br)C=C21 22062 [0,2,0,0,0,0|2,0,0]=4 1124 B13R2.11634 FC1=C(Br)C=C2C(=C1)NN=C2I 34519 [0,2,0,0,0,0|2,0,0]=4 1125 B13R2.573 COC1=CC=CC2=C1OCC2=O 17971 [0,2,0,0,0,0|1,0,1]=4 1126 B13R2.5180 CC1=NNC2=C(F)C(F)=CC=C12 32540 [0,2,0,0,0,0|2,0,0]=4 1127 B13R2.582 COC1=CC=CC2=C1C(=O)CO2 17994 [0,2,0,0,0,0|1,0,1]=4 1128 B13R2.11642 CC1=NNC2=CC(Br)=CC(F)=C21 32541 [0,2,0,0,0,0|2,0,0]=4 1129 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 18002 [0,2,0,0,0,0|1,0,1]=4 1130 B13R2.2130 COC1=CC=C2C(=C1)NN=C2C 32531 [0,2,0,0,0,0|2,0,0]=4 1131 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,0,1,1,0,0|1,0,1]=4 1132 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [0,0,1,1,0,0|2,0,0]=4 1133 B9R2.50 C1=CC=C2CCC2=C1 18889 [1,0,0,0,1,0|1,0,1]=4 1134 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,0,1,0,0,1|1,0,1]=4 1135 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,0,1,0,0,1|2,0,0]=4 1136 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,0,1,0,0,1|2,0,0]=4 1137 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,0,1,0,0,1|2,0,0]=4 1138 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,0,1,0,0,1|2,0,0]=4 1139 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,0,1,0,0,1|2,0,0]=4 1140 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,0,1,0,0,1|1,0,0]=3 1141 B13R2.33 O=C1C=NC2=C(C=CC=C2)C=N1 2017 [0,0,0,0,0,2|1,0,1]=4