0 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 MC107111 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 CS17755 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 MC107457 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 BrCC1=CC=C2N=CC=NC2=C1 CS12792 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 MC113801 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.57 Br[Mg]c1ccc2ccccc2c1 MC121324 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS18943 [0,0,0,0,0,0|1,0,1]=2 7 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [0,0,0,0,0,0|0,0,0]=0 8 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS12595 [0,0,0,0,0,0|1,0,0]=1 10 B13R2.57 COC1=CC=C2C=NC=CC2=C1 CS18348 [0,0,0,0,0,0|1,0,0]=1 11 B13R2.57 COC1=CC=C2CCCNC2=C1 CS18836 [0,0,0,0,0,0|1,0,3]=4 12 B13R2.57 COC1=CC=C2CNCCC2=C1 CS18370 [0,0,0,0,0,0|1,0,3]=4 13 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS22118 [0,0,0,0,0,0|1,0,0]=1 14 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS10061 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS20903 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.57 ClCc1ccc2ccccc2c1 MC433891 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.57 N#CC1=CC=C2C=NC=CC2=C1 CS10713 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 CS19734 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 CS20395 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 CS12597 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 MC105831 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 MC116267 [0,0,0,0,0,0|3,0,0]=3 23 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 MC431333 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS18374 [0,0,0,0,0,0|3,0,0]=3 25 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS13970 [0,0,0,0,0,0|2,0,0]=2 26 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 MC107189 [0,0,0,0,0,0|3,0,0]=3 27 B13R2.57 NNC1=CC=C2C=CC=NC2=C1 MC107192 [0,0,0,0,0,0|3,0,0]=3 28 B13R2.57 NNC1=CC=C2C=CN=CC2=C1 MC107191 [0,0,0,0,0,0|3,0,0]=3 29 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 MC107190 [0,0,0,0,0,0|3,0,0]=3 30 B13R2.57 NNC1=CC=C2N=CC=CC2=C1 MC103266 [0,0,0,0,0,0|3,0,0]=3 31 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [0,0,0,0,0,0|3,0,0]=3 32 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS10500 [0,0,0,0,0,0|3,0,0]=3 34 B13R2.57 O=CC1=NC2=CC=CN=C2C=C1 MC111419 [0,0,0,0,0,0|4,0,0]=4 35 B13R2.57 O=CC1=NC2=CN=CC=C2C=C1 MC111421 [0,0,0,0,0,0|4,0,0]=4 36 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 CS13773 [0,0,0,0,0,0|2,0,0]=2 37 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 MC33313 [0,0,0,0,0,0|3,0,0]=3 38 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 CS13361 [0,0,0,0,0,0|3,0,0]=3 39 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 MC10341 [0,0,0,0,0,0|1,0,1]=2 40 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [1,0,0,0,0,0|1,0,0]=2 41 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 MC442578 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 CS22124 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 BrC1=CC=C2C=NC=NC2=C1 MC121072 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.24 BrC1=CC=C2C=NN=CC2=C1 MC113016 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CS14624 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.24 BrC1=CC=C2N=CN=CC2=C1 CS18543 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 CS14598 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 MC440083 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS19018 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [1,0,0,0,0,0|1,0,0]=2 58 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [1,0,0,0,0,0|1,0,0]=2 59 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [1,0,0,0,0,0|1,0,0]=2 60 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [1,0,0,0,0,0|1,0,0]=2 61 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [1,0,0,0,0,0|1,0,0]=2 62 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS15412 [1,0,0,0,0,0|2,0,0]=3 63 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 MC106658 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [1,0,0,0,0,0|1,0,0]=2 65 B12R2.24 CC1=NC2=CN=CC=C2C=C1 MC111420 [1,0,0,0,0,0|2,0,0]=3 66 B12R2.24 CC1=NC2=NC=CC=C2C=C1 CS18023 [1,0,0,0,0,0|2,0,0]=3 67 B12R2.24 CC1=NC2=NC=CN=C2C=C1 MC445685 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [1,0,0,0,0,0|2,0,0]=3 69 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [1,0,0,0,0,0|2,0,0]=3 70 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [1,0,0,0,0,0|2,0,0]=3 72 B12R2.24 ClC1=CC=C2C=NC=NC2=C1 MC20750 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [1,0,0,0,0,0|2,0,0]=3 74 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [1,0,0,0,0,0|2,0,0]=3 75 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 CS19965 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 CS16799 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [1,0,0,0,0,0|2,0,0]=3 78 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [1,0,0,0,0,0|2,0,0]=3 79 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [1,0,0,0,0,0|2,0,0]=3 80 B12R2.24 FC1=CC=C2N=CN=CC2=C1 CS17781 [1,0,0,0,0,0|3,0,0]=4 81 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [1,0,0,0,0,0|2,0,0]=3 82 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [1,0,0,0,0,0|1,0,0]=2 83 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [1,0,0,0,0,0|2,0,0]=3 84 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [1,0,0,0,0,0|2,0,0]=3 85 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [1,0,0,0,0,0|2,0,0]=3 86 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [1,0,0,0,0,0|2,0,0]=3 87 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [1,0,0,0,0,0|2,0,0]=3 88 B12R2.24 NC1=CC=C2C=NC=NC2=C1 CS16110 [1,0,0,0,0,0|3,0,0]=4 89 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [1,0,0,0,0,0|2,0,0]=3 90 B12R2.24 NC1=CC=C2N=CC=NC2=C1 CS10612 [1,0,0,0,0,0|3,0,0]=4 91 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [1,0,0,0,0,0|2,0,0]=3 92 B12R2.24 NC1=NC2=CC=CN=C2C=C1 MC115906 [1,0,0,0,0,0|3,0,0]=4 93 B12R2.24 NC1=NC2=NC=CC=C2C=C1 CS20558 [1,0,0,0,0,0|3,0,0]=4 94 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [1,0,0,0,0,0|2,0,1]=4 95 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [1,0,0,0,0,0|2,0,1]=4 96 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [1,0,0,0,0,0|0,0,0]=1 97 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [1,0,0,0,0,0|1,0,0]=2 98 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [1,0,0,0,0,0|1,0,0]=2 99 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [1,0,0,0,0,0|1,0,0]=2 100 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [1,0,0,0,0,0|1,0,0]=2 101 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [1,0,0,0,0,0|2,0,0]=3 102 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MC442462 [1,0,0,0,0,0|2,0,0]=3 103 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [1,0,0,0,0,0|1,0,1]=3 104 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 CS11559 [0,1,0,0,0,0|0,0,0]=1 105 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br MC106848 [0,1,0,0,0,0|1,0,0]=2 106 B14R2.92 COC1=CC=C2C=CN=CC2=C1Br MC443699 [0,1,0,0,0,0|1,0,0]=2 107 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 MC445278 [0,1,0,0,0,0|2,0,0]=3 108 B14R2.92 NC1=C2N=CC=CC2=CC=C1C=O MC440081 [0,1,0,0,0,0|3,0,0]=4 109 B14R2.112 NCCC1=CC=C2C=CC=NC2=C1 MC116294 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS19646 [0,1,0,0,0,0|2,0,0]=3 111 B14R2.112 ONCC1=CC2=CC=CC=C2C=C1 MC107668 [0,1,0,0,0,0|2,0,0]=3 112 B14R2.112 S=C=Nc1ccc2ccccc2c1 MC440427 [0,1,0,0,0,0|1,0,1]=3 113 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 CS16657 [0,1,0,0,0,0|1,0,0]=2 114 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 MC33414 [0,1,0,0,0,0|1,0,0]=2 115 B14R2.134 COC1=CC=C2C=NC(Cl)=NC2=C1 CS17522 [0,1,0,0,0,0|2,0,0]=3 116 B14R2.134 COC1=CC=C2CCC(=O)NC2=C1 CS15545 [0,1,0,0,0,0|1,0,2]=4 117 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 MC105770 [0,1,0,0,0,0|1,0,0]=2 118 B14R2.134 COC1=CC=C2N=CC(Cl)=NC2=C1 CS15574 [0,1,0,0,0,0|2,0,0]=3 119 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 MC442814 [0,1,0,0,0,0|1,0,2]=4 120 B14R2.134 COC1=NC2=CC(Br)=CC=C2C=C1 CS17025 [0,1,0,0,0,0|1,0,0]=2 121 B14R2.134 COC1=NC2=CC(Br)=CC=C2N=C1 MC445710 [0,1,0,0,0,0|2,0,0]=3 122 B14R2.134 N#CC1=CC2=CC(O)=CC=C2C=C1 MC441105 [0,1,0,0,0,0|2,0,0]=3 123 B14R2.134 N#CC1=CC=C2C=CC(=O)NC2=C1 CS15130 [0,1,0,0,0,0|3,0,0]=4 124 B14R2.134 N#CC1=CC=C2C=CC(Cl)=NC2=C1 MC107639 [0,1,0,0,0,0|3,0,0]=4 125 B14R2.134 NCC1=CC=C2N=CC(Br)=CC2=C1 MC111641 [0,1,0,0,0,0|3,0,0]=4 126 B14R2.142 CCC1=CC=C2NC=NC(=O)C2=C1 MC443298 [0,1,0,0,0,0|3,0,0]=4 127 B14R2.142 COC1=CC2=C(C=CNC2=O)N=C1 MC105056 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.142 COC1=CC2=C(Cl)N=CC=C2N=C1 MC105057 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 MC114055 [0,1,0,0,0,0|0,0,0]=1 130 B14R2.142 COC1=CC=C2CCCC(=O)C2=C1 CS10075 [0,1,0,0,0,0|0,0,3]=4 131 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=C1 MC427119 [0,1,0,0,0,0|2,0,0]=3 132 B14R2.142 COC1=CC=C2N=CN=C(O)C2=C1 CS21598 [0,1,0,0,0,0|2,0,0]=3 133 B14R2.142 COC1=CC=C2OCCC(=O)C2=C1 CS10727 [0,1,0,0,0,0|1,0,2]=4 134 B14R2.142 COC1=NC2=C(Cl)C=CN=C2C=C1 MC113270 [0,1,0,0,0,0|2,0,0]=3 135 B14R2.142 COC1=NC=C2N=CC=C(Cl)C2=C1 MC432367 [0,1,0,0,0,0|2,0,0]=3 136 B14R2.142 ClC1=NC=CC2=CC=C(CBr)C=C21 MC115073 [0,1,0,0,0,0|3,0,0]=4 137 B14R2.142 N#CC1=CC=C2C=CNC(=O)C2=C1 MC107452 [0,1,0,0,0,0|3,0,0]=4 138 B14R2.142 O=CC1=CC2=C(Br)C=CC=C2C=C1 MC432432 [0,1,0,0,0,0|2,0,0]=3 139 B14R2.142 O=CC1=CC=C2C=CNC(=O)C2=C1 MC111206 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.142 O=CC1=CC=C2N=CC=C(Cl)C2=C1 CS13111 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [0,1,0,0,0,0|1,0,0]=2 142 B14R2.781 O=C(Cl)C1=CC=C2C=CC=NC2=C1 MC106305 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.781 O=C(Cl)C1=CC=C2C=NC=CC2=C1 MC106031 [0,1,0,0,0,0|3,0,0]=4 144 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,1,0,0,0,0|2,0,0]=3 145 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [0,1,0,0,0,0|3,0,0]=4 146 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [0,1,0,0,0,0|3,0,0]=4 147 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [0,1,0,0,0,0|3,0,0]=4 148 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CS10714 [0,1,0,0,0,0|3,0,0]=4 149 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [0,1,0,0,0,0|3,0,0]=4 150 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=NC2=C1 CS10831 [0,1,0,0,0,0|3,0,0]=4 151 B14R2.781 O=[N+]([O-])C1=CC=C2C=CN=CC2=C1 MC33378 [0,1,0,0,0,0|3,0,0]=4 152 B14R2.781 O=[N+]([O-])C1=CC=C2N=CC=CC2=C1 CS10953 [0,1,0,0,0,0|3,0,0]=4 153 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 CS10062 [0,1,0,0,0,0|2,0,0]=3 154 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 CS21553 [0,1,0,0,0,0|3,0,0]=4 155 B14R2.781 OB(O)C1=CC=C2C=CN=CC2=C1 MC442956 [0,1,0,0,0,0|3,0,0]=4 156 B14R2.781 OB(O)C1=CC=C2C=NC=CC2=C1 MC442876 [0,1,0,0,0,0|3,0,0]=4 157 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 CS14234 [0,1,0,0,0,0|3,0,0]=4 158 B14R2.1019 COC1=CC(Br)=C2N=CC=CC2=C1 CS14701 [0,1,0,0,0,0|1,0,0]=2 159 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 MC21031 [0,1,0,0,0,0|1,0,0]=2 160 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 MC431958 [0,1,0,0,0,0|2,0,0]=3 161 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C#N MC115955 [0,1,0,0,0,0|3,0,0]=4 162 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 MC33403 [0,1,0,0,0,0|1,0,2]=4 163 B14R2.1128 COC1=NC2=CC=CC=C2N=C1C MC111428 [0,1,0,0,0,0|2,0,0]=3 164 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl CS21502 [0,1,0,0,0,0|2,0,0]=3 165 B14R2.1128 N#CC1=C(F)C=C2N=CC=CC2=C1 MC106804 [0,1,0,0,0,0|3,0,0]=4 166 B14R2.1128 O=CC1=C(F)C=C2N=CC=CC2=C1 MC113626 [0,1,0,0,0,0|3,0,0]=4 167 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [0,1,0,0,0,0|2,0,0]=3 168 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl CS11246 [0,1,0,0,0,0|3,0,0]=4 169 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2N=C1 MC101943 [0,1,0,0,0,0|2,0,0]=3 170 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2Cl CS15302 [0,1,0,0,0,0|2,0,0]=3 171 B14R2.1801 COC1=CC=C2C(=O)N=CNC2=C1 CS15546 [0,1,0,0,0,0|2,0,0]=3 172 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 CS15544 [0,1,0,0,0,0|1,0,0]=2 173 B14R2.1801 COC1=CC=C2C(=O)NCCC2=C1 CS18171 [0,1,0,0,0,0|1,0,2]=4 174 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 MC10530 [0,1,0,0,0,0|0,0,0]=1 175 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 MC425083 [0,1,0,0,0,0|1,0,0]=2 176 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 MC428257 [0,1,0,0,0,0|1,0,0]=2 177 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 CS11294 [0,1,0,0,0,0|1,0,0]=2 178 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 MC425081 [0,1,0,0,0,0|1,0,0]=2 179 B14R2.1801 COC1=NC=C2C(=O)C=CNC2=C1 MC104551 [0,1,0,0,0,0|2,0,0]=3 180 B14R2.1801 COC1=NC=C2C(Cl)=CC=NC2=C1 MC101942 [0,1,0,0,0,0|2,0,0]=3 181 B14R2.1801 N#CC1=CC2=CC=CC(F)=C2N=C1 MC432585 [0,1,0,0,0,0|3,0,0]=4 182 B14R2.1801 N#CC1=NC2=CC=CC(O)=C2C=C1 MC101984 [0,1,0,0,0,0|3,0,0]=4 183 B14R2.1801 O=CC1=CC=C2C(=O)NC=CC2=C1 MC111205 [0,1,0,0,0,0|3,0,0]=4 184 B14R2.2332 CC1=NC2=CC=C(C=O)C=C2C=C1 CS21683 [0,1,0,0,0,0|3,0,0]=4 185 B14R2.2332 CC1=NC2=CC=C(CBr)C=C2C=C1 CS10592 [0,1,0,0,0,0|3,0,0]=4 186 B14R2.2332 COC1=CC2=CC=C(Br)C=C2N=C1 CS17260 [0,1,0,0,0,0|1,0,0]=2 187 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 CS11560 [0,1,0,0,0,0|0,0,0]=1 188 B14R2.2332 COC1=CC=C2N=C(Cl)C=NC2=C1 CS12777 [0,1,0,0,0,0|2,0,0]=3 189 B14R2.2332 COC1=CC=C2N=C(Cl)N=CC2=C1 CS13141 [0,1,0,0,0,0|2,0,0]=3 190 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 MC442727 [0,1,0,0,0,0|1,0,0]=2 191 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 MC425224 [0,1,0,0,0,0|1,0,0]=2 192 B14R2.2332 N#CC1=CC2=CC=C(Br)C=C2C=C1 MC111963 [0,1,0,0,0,0|2,0,0]=3 193 B14R2.2332 N#CC1=CC2=CC=C(O)C=C2C=C1 CS11544 [0,1,0,0,0,0|2,0,0]=3 194 B14R2.2332 N#CC1=CC=C2N=C(Cl)C=CC2=C1 MC441087 [0,1,0,0,0,0|3,0,0]=4 195 B14R2.2332 N#CC1=NC2=CC=C(Br)C=C2C=C1 MC106564 [0,1,0,0,0,0|3,0,0]=4 196 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 CS10087 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,1,0,0,0|1,0,2]=4 198 B12R1.78 COC1=CC(C#N)=C(C=O)C=C1 CS21530 [0,0,1,0,0,0|2,0,1]=4 199 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 MC20085 [0,0,1,0,0,0|2,0,1]=4 200 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 CS15286 [0,0,1,0,0,0|2,0,1]=4 201 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,0,1,0,0,0|2,0,1]=4 202 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,0,1,0,0,0|2,0,1]=4 203 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,0,1,0,0,0|2,0,1]=4 204 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,0,1,0,0,0|2,0,1]=4 205 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CS17544 [0,0,0,0,1,0|3,0,0]=4 206 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [0,0,0,0,1,0|2,0,0]=3 207 B12R2.1 N#CC1=CNC2=CC=CC=C12 CS21455 [0,0,0,0,1,0|3,0,0]=4 208 B12R2.1 NCC1=CNC2=CC=CC=C12 CS20093 [0,0,0,0,1,0|3,0,0]=4 209 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [0,0,0,0,1,0|3,0,0]=4 210 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [0,0,0,0,1,0|3,0,0]=4 211 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [0,0,0,0,1,0|3,0,0]=4 212 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,0,0,0,1,0|3,0,0]=4 213 B12R2.32 CSC1=CN2C=CC=CC2=C1 MC442361 [0,0,0,0,1,0|1,1,0]=3 214 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,0,0,0,1,0|2,1,0]=4 215 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 MC31173 [0,0,0,0,1,0|2,1,0]=4 216 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,0,0,0,1,0|3,0,0]=4 217 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [0,0,0,0,1,0|3,0,0]=4 218 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [0,0,0,0,1,0|3,0,0]=4 219 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,0,0,0,1,0|3,0,0]=4 220 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,0,0,0,1,0|3,0,0]=4 221 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,0,0,0,1,0|3,0,0]=4 222 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,0,0,0,1,0|3,0,0]=4 223 B12R2.44 COC1=CC2=C(C=C1)N=CN2 MC425785 [0,0,0,0,1,0|2,0,0]=3 224 B12R2.44 COC1=CC2=C(C=C1)N=CS2 CS10718 [0,0,0,0,1,0|2,0,0]=3 225 B12R2.44 COC1=CC2=C(C=C1)ON=C2 CS10418 [0,0,0,0,1,0|2,0,0]=3 226 B12R2.44 COC1=CC2=C(C=C1)SC=C2 MC111400 [0,0,0,0,1,0|1,0,0]=2 227 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [0,0,0,0,1,0|1,0,0]=2 228 B12R2.44 COC1=CC2=C(C=CS2)C=C1 CS16120 [0,0,0,0,1,0|1,0,0]=2 229 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [0,0,0,0,1,0|1,0,0]=2 230 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [0,0,0,0,1,0|2,0,0]=3 231 B12R2.44 COC1=CC=C2C=NNC2=N1 MC104425 [0,0,0,0,1,0|3,0,0]=4 232 B12R2.44 COC1=CC=C2CCNC2=C1 MC20447 [0,0,0,0,1,0|1,0,2]=4 233 B12R2.44 COC1=CC=C2CNCC2=C1 CS12707 [0,0,0,0,1,0|1,0,2]=4 234 B12R2.44 COC1=CC=C2CNCC2=C1 MC100224 [0,0,0,0,1,0|1,0,2]=4 235 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [0,0,0,0,1,0|1,0,0]=2 236 B12R2.44 COC1=CC=C2NC=CC2=N1 CS18048 [0,0,0,0,1,0|2,0,0]=3 237 B12R2.44 COC1=CC=C2NCCC2=C1 CS17324 [0,0,0,0,1,0|1,0,2]=4 238 B12R2.44 COC1=CC=C2NN=CC2=C1 MC425643 [0,0,0,0,1,0|2,0,0]=3 239 B12R2.44 COC1=CC=C2NN=CC2=N1 MC104480 [0,0,0,0,1,0|3,0,0]=4 240 B12R2.44 COC1=CN2C=CN=C2C=C1 CS16254 [0,0,0,0,1,0|2,0,0]=3 241 B12R2.44 COC1=CN=C2C=CNC2=C1 MC105229 [0,0,0,0,1,0|2,0,0]=3 242 B12R2.44 COC1=CN=C2NC=CC2=C1 MC425416 [0,0,0,0,1,0|2,0,0]=3 243 B12R2.44 COC1=NC=C2NC=CC2=C1 MC428300 [0,0,0,0,1,0|2,0,0]=3 244 B12R2.44 COC1=NC=C2NN=CC2=C1 MC441196 [0,0,0,0,1,0|3,0,0]=4 245 B12R2.44 CSC1=CC=C2NC=CC2=C1 MC106667 [0,0,0,0,1,0|1,1,0]=3 246 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 CS20604 [0,0,0,0,1,0|3,0,0]=4 247 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 MC441160 [0,0,0,0,1,0|3,0,0]=4 248 B12R2.44 N#CC1=CC2=C(C=CS2)C=C1 MC107108 [0,0,0,0,1,0|3,0,0]=4 249 B12R2.44 N#CC1=CC=C2C=CNC2=C1 CS21458 [0,0,0,0,1,0|3,0,0]=4 250 B12R2.44 N#CC1=CC=C2NC=CC2=C1 MC41769 [0,0,0,0,1,0|3,0,0]=4 251 B12R2.44 NCC1=CC2=C(C=CS2)C=C1 MC107109 [0,0,0,0,1,0|3,0,0]=4 252 B12R2.44 NCC1=CC=C2NC=CC2=C1 MC425742 [0,0,0,0,1,0|3,0,0]=4 253 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CS21474 [0,0,0,0,1,0|3,0,0]=4 254 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [0,0,0,0,1,0|3,0,0]=4 255 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 MC441269 [0,0,0,0,1,0|3,0,0]=4 256 B12R2.44 O=CC1=CC=C2C=CNC2=C1 CS21527 [0,0,0,0,1,0|3,0,0]=4 257 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS21526 [0,0,0,0,1,0|3,0,0]=4 258 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,1,0,0,0|1,0,1]=4 259 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,1,0,0,0|1,0,0]=3 260 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [1,0,1,0,0,0|2,0,0]=4 261 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [1,0,1,0,0,0|2,0,0]=4 262 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [1,0,1,0,0,0|1,0,0]=3 264 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS14013 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.83 COC1=CC=C(\C=N\O)C=C1 MC427343 [1,0,1,0,0,0|2,0,0]=4 266 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [1,0,1,0,0,0|0,0,1]=3 267 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [1,0,1,0,0,0|0,0,1]=3 268 B11R1.37 C=CC1=C(C=O)C=C(F)C=C1 MC112225 [1,0,1,0,0,0|2,0,0]=4 269 B11R1.37 C=CC1=C(C=O)C=C(O)C=C1 MC112221 [1,0,1,0,0,0|1,0,0]=3 270 B11R1.37 C=CC1=C(C=O)C=CC(C)=C1 MC112222 [1,0,1,0,0,0|1,0,0]=3 271 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 MC41095 [1,0,1,0,0,0|2,0,0]=4 272 B11R1.279 COC1=CC(C)=C(C=O)C=C1 MC41126 [1,0,1,0,0,0|1,0,1]=4 273 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 CS14902 [1,0,1,0,0,0|2,0,0]=4 274 B11R1.279 COC1=CC(F)=C(C=O)C=C1 CS10812 [1,0,1,0,0,0|2,0,0]=4 275 B11R1.279 COC1=CC(O)=C(C=O)C=C1 CS20937 [1,0,1,0,0,0|2,0,0]=4 276 B11R1.280 COC1=CC(C=O)=C(Br)C=C1 CS20806 [1,0,1,0,0,0|2,0,0]=4 277 B11R1.280 COC1=CC(C=O)=C(C)C=C1 MC433445 [1,0,1,0,0,0|1,0,1]=4 278 B11R1.280 COC1=CC(C=O)=C(Cl)C=C1 MC433417 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.280 COC1=CC(C=O)=C(F)C=C1 MC30243 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.280 COC1=CC(C=O)=C(O)C=C1 CS20949 [1,0,1,0,0,0|2,0,0]=4 281 B11R1.189 C=CCC1=CC=CC(OC)=C1 MC425775 [1,0,1,0,0,0|0,0,1]=3 282 B11R2.20 C1=CC2=CC=NC=C2C=N1 MC442537 [2,0,0,0,0,0|2,0,0]=4 283 B11R2.20 C1=CC2=CN=CC=C2C=N1 MC111272 [2,0,0,0,0,0|2,0,0]=4 284 B11R2.20 C1=CC2=CN=CC=C2N=C1 MC442547 [2,0,0,0,0,0|2,0,0]=4 285 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [2,0,0,0,0,0|1,0,0]=3 286 B11R2.20 C1=CC=C2C=NN=CC2=C1 CS10532 [2,0,0,0,0,0|2,0,0]=4 287 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [2,0,0,0,0,0|0,0,2]=4 288 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [2,0,0,0,0,0|1,0,0]=3 289 B11R2.20 C1=CC=C2N=CC=NC2=C1 CS11932 [2,0,0,0,0,0|2,0,0]=4 290 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [2,0,0,0,0,0|2,0,0]=4 291 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [2,0,0,0,0,0|2,0,0]=4 292 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS20548 [2,0,0,0,0,0|2,0,0]=4 293 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433909 [0,1,1,0,0,0|1,0,0]=3 294 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS11646 [0,1,1,0,0,0|1,0,0]=3 295 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 MC40106 [0,1,1,0,0,0|1,0,0]=3 296 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 MC433906 [0,1,1,0,0,0|1,0,0]=3 297 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 MC21104 [0,1,1,0,0,0|1,0,0]=3 298 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 MC20077 [0,1,1,0,0,0|2,0,0]=4 299 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 MC418479 [1,1,0,0,0,0|1,0,0]=3 300 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 CS14781 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 MC100339 [1,1,0,0,0,0|1,0,0]=3 302 B13R2.32 CC1=C(O)C2=CC=CC=C2C=C1 CS11396 [1,1,0,0,0,0|0,0,0]=2 303 B13R2.32 CC1=C2N=CC=CC2=CC=C1Br CS16280 [1,1,0,0,0,0|2,0,0]=4 304 B13R2.32 CN1C=CC2=CC=CC=C2C1=O CS16983 [1,1,0,0,0,0|1,0,0]=3 305 B13R2.32 ClC1=C2C=CN=CC2=CC=C1Br MC443696 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.32 FC1=CC=C2C=CC=NC2=C1F MC428247 [1,1,0,0,0,0|2,0,0]=4 307 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 MC443371 [1,1,0,0,0,0|1,0,0]=3 308 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 MC442467 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 CS18266 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.32 NC1=C(Cl)C=CC2=C1C=CC=N2 CS13243 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 CS12478 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.32 NC1=C(I)C2=CC=CC=C2C=C1 MC432564 [1,1,0,0,0,0|1,0,0]=3 313 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 MC111623 [1,1,0,0,0,0|1,0,0]=3 314 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS20594 [1,1,0,0,0,0|0,0,0]=2 315 B13R2.32 NC1=CC=C2C=NC=CC2=C1Br MC33376 [1,1,0,0,0,0|2,0,0]=4 316 B13R2.32 NC1=CC=C2C=NC=CC2=C1Cl MC33381 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.32 NC1=CC=C2N=CC=CC2=C1N MC425891 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS11263 [1,1,0,0,0,0|0,0,0]=2 319 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 MC443143 [1,1,0,0,0,0|1,0,0]=3 320 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 CS17705 [1,1,0,0,0,0|2,0,0]=4 321 B13R2.32 OC1=C2N=CC=CC2=CC=C1Br MC111852 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.32 OC1=C2N=CC=CC2=CC=C1Cl CS16183 [1,1,0,0,0,0|2,0,0]=4 323 B13R2.32 OC1=CC=C2C=CN=CC2=C1Br MC443700 [1,1,0,0,0,0|1,0,0]=3 324 B13R2.32 OC1=CC=C2N=CC=CC2=C1Cl MC106814 [1,1,0,0,0,0|1,0,0]=3 325 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 CS19954 [1,1,0,0,0,0|1,0,0]=3 326 B13R2.155 BrC1=CC=C2N=CC(I)=CC2=C1 CS18141 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 CS16063 [1,1,0,0,0,0|0,0,0]=2 328 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 MC440720 [1,1,0,0,0,0|1,0,0]=3 329 B13R2.155 CC1=CC=C2C=CC(O)=NC2=N1 MC111590 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.155 CC1=CC=C2N=CC(Cl)=NC2=C1 CS14347 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.155 CC1=NC2=CC(Br)=CC=C2C=N1 MC106960 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS11293 [1,1,0,0,0,0|1,0,0]=3 333 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 MC441086 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.155 NC1=CC2=CC(Br)=CC=C2C=N1 CS12394 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 MC106791 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 CS17134 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 CS14788 [1,1,0,0,0,0|1,0,1]=4 338 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 CS16303 [1,1,0,0,0,0|1,0,0]=3 339 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 CS18626 [1,1,0,0,0,0|0,0,0]=2 340 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 CS14588 [1,1,0,0,0,0|1,0,0]=3 341 B13R2.155 OC1=CC2=CC(F)=CC=C2C=N1 CS16284 [1,1,0,0,0,0|1,0,0]=3 342 B13R2.155 OC1=CC=C2C=CC(O)=NC2=C1 CS18652 [1,1,0,0,0,0|1,0,0]=3 343 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 CS16651 [1,1,0,0,0,0|1,0,0]=3 344 B13R2.162 BrC1=CC=C2N=CC=C(I)C2=C1 CS19602 [1,1,0,0,0,0|2,0,0]=4 345 B13R2.162 BrC1=CC=CC2=CC=C(I)C=C12 MC445702 [1,1,0,0,0,0|1,0,0]=3 346 B13R2.162 BrC1=NC2=C(Br)C=CC=C2C=C1 MC115951 [1,1,0,0,0,0|2,0,0]=4 347 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 MC425219 [1,1,0,0,0,0|2,0,0]=4 348 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 MC443164 [1,1,0,0,0,0|1,0,0]=3 349 B13R2.162 CC1=CC=C2C=NC=C(Br)C2=C1 CS16559 [1,1,0,0,0,0|1,0,0]=3 350 B13R2.162 CC1=CC=C2N=CN=C(O)C2=C1 CS22882 [1,1,0,0,0,0|2,0,0]=4 351 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 CS10006 [1,1,0,0,0,0|1,0,0]=3 352 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 CS16057 [1,1,0,0,0,0|1,0,0]=3 353 B13R2.162 ClC1=CC2=C(Br)C=CC=C2C=N1 MC431275 [1,1,0,0,0,0|2,0,0]=4 354 B13R2.162 ClC1=CC=C2C=CN=C(Cl)C2=C1 CS13151 [1,1,0,0,0,0|2,0,0]=4 355 B13R2.162 ClC1=CC=NC2=CC=C(Br)C=C12 CS19242 [1,1,0,0,0,0|2,0,0]=4 356 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 CS12582 [1,1,0,0,0,0|2,0,0]=4 357 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 CS21365 [1,1,0,0,0,0|2,0,0]=4 358 B13R2.162 NC1=CC=C2C=CN=C(Cl)C2=C1 MC116277 [1,1,0,0,0,0|2,0,0]=4 359 B13R2.162 NC1=CC=NC2=CC=C(Br)C=C12 CS18409 [1,1,0,0,0,0|2,0,0]=4 360 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 MC442437 [1,1,0,0,0,0|2,0,0]=4 361 B13R2.162 NC1=NC=CC2=CC=C(Br)C=C21 CS17665 [1,1,0,0,0,0|2,0,0]=4 362 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 CS12344 [1,1,0,0,0,0|1,0,1]=4 363 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 MC441083 [1,1,0,0,0,0|1,0,1]=4 364 B13R2.162 O=C1NC=CC2=CC=C(Cl)C=C12 MC106952 [1,1,0,0,0,0|2,0,0]=4 365 B13R2.162 O=C1NC=NC2=CC=C(O)C=C12 MC442438 [1,1,0,0,0,0|2,0,0]=4 366 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 MC111226 [1,1,0,0,0,0|1,0,0]=3 367 B13R2.162 OC1=CC=CC2=C1C=C(Br)C=N2 CS15353 [1,1,0,0,0,0|2,0,0]=4 368 B13R2.162 OC1=CC=CC2=CC=C(Br)C=C12 MC432537 [1,1,0,0,0,0|1,0,0]=3 369 B13R2.162 OC1=CC=CC2=CC=C(F)C=C12 MC431686 [1,1,0,0,0,0|1,0,0]=3 370 B13R2.162 OC1=CC=NC2=CC=C(Br)C=C12 CS21403 [1,1,0,0,0,0|2,0,0]=4 371 B13R2.162 OC1=CC=NC2=CC=C(I)C=C12 CS18995 [1,1,0,0,0,0|2,0,0]=4 372 B13R2.162 OC1=CC=NC2=CC=C(I)C=C12 MC431692 [1,1,0,0,0,0|2,0,0]=4 373 B13R2.162 OC1=NC=CC2=CC=C(Br)C=C21 CS21409 [1,1,0,0,0,0|2,0,0]=4 374 B13R2.328 BrC1=CC(I)=CC2=CC=CC=C12 MC431929 [1,1,0,0,0,0|1,0,0]=3 375 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 CS12194 [1,1,0,0,0,0|2,0,0]=4 376 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 MC431970 [1,1,0,0,0,0|1,0,0]=3 377 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 MC440080 [1,1,0,0,0,0|2,0,0]=4 378 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 MC115947 [1,1,0,0,0,0|1,0,0]=3 379 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS10067 [1,1,0,0,0,0|1,0,0]=3 380 B13R2.328 CC1=CC2=CC=CC=C2C(=O)N1 MC33415 [1,1,0,0,0,0|1,0,0]=3 381 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 CS17170 [1,1,0,0,0,0|0,0,0]=2 382 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 MC33405 [1,1,0,0,0,0|1,0,0]=3 383 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 CS21531 [1,1,0,0,0,0|2,0,0]=4 384 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 CS22654 [1,1,0,0,0,0|1,0,0]=3 385 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 MC113274 [1,1,0,0,0,0|2,0,0]=4 386 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=N1 CS12359 [1,1,0,0,0,0|2,0,0]=4 387 B13R2.328 ClC1=C2N=CC=CC2=CC(Br)=C1 CS16279 [1,1,0,0,0,0|2,0,0]=4 388 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 CS10935 [1,1,0,0,0,0|2,0,0]=4 389 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 MC10229 [1,1,0,0,0,0|2,0,0]=4 390 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS22591 [1,1,0,0,0,0|1,0,1]=4 391 B13R2.328 NC1=CC(Br)=CC2=C1C=CC=N2 CS17191 [1,1,0,0,0,0|2,0,0]=4 392 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 MC442263 [1,1,0,0,0,0|2,0,0]=4 393 B13R2.328 NC1=CC(Cl)=C2N=CC=CC2=C1 CS16424 [1,1,0,0,0,0|2,0,0]=4 394 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 CS22546 [1,1,0,0,0,0|2,0,0]=4 395 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 CS17133 [1,1,0,0,0,0|1,0,0]=3 396 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 MC441080 [1,1,0,0,0,0|2,0,0]=4 397 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 CS21246 [1,1,0,0,0,0|2,0,0]=4 398 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 MC442487 [1,1,0,0,0,0|2,0,0]=4 399 B13R2.328 OC1=C2N=CC=CC2=CC(Br)=C1 MC443669 [1,1,0,0,0,0|2,0,0]=4 400 B13R2.328 OC1=C2N=CC=CC2=CC(F)=C1 MC121306 [1,1,0,0,0,0|2,0,0]=4 401 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 CS21445 [1,1,0,0,0,0|2,0,0]=4 402 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [1,1,0,0,0,0|1,0,0]=3 403 B13R2.369 CC1=C(Br)C=C2N=CC=NC2=C1 MC102248 [1,1,0,0,0,0|2,0,0]=4 404 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [1,1,0,0,0,0|1,0,0]=3 405 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS15838 [1,1,0,0,0,0|2,0,0]=4 406 B13R2.369 FC1=C(Br)C=C2C=CC=NC2=C1 CS14503 [1,1,0,0,0,0|2,0,0]=4 407 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [1,1,0,0,0,0|1,0,0]=3 408 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 MC426176 [1,1,0,0,0,0|1,0,0]=3 409 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 CS10734 [1,1,0,0,0,0|0,0,0]=2 410 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CS10739 [1,1,0,0,0,0|1,0,0]=3 411 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 CS11285 [1,1,0,0,0,0|1,0,0]=3 412 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 MC41789 [1,1,0,0,0,0|1,0,0]=3 413 B13R2.3683 C[N+]1=CC2=CC=C(Br)C=C2C=C1 MC111531 [1,1,0,0,0,0|1,0,0]=3 414 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2C=N1 MC444448 [1,1,0,0,0,0|2,0,0]=4 415 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 MC115949 [1,1,0,0,0,0|2,0,0]=4 416 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 CS21349 [1,1,0,0,0,0|2,0,0]=4 417 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 MC33106 [1,1,0,0,0,0|1,0,0]=3 418 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 MC41747 [1,1,0,0,0,0|1,0,0]=3 419 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=N1 CS12647 [1,1,0,0,0,0|2,0,0]=4 420 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 MC113416 [1,1,0,0,0,0|2,0,0]=4 421 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 MC441034 [1,1,0,0,0,0|1,0,0]=3 422 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 CS16608 [1,1,0,0,0,0|2,0,0]=4 423 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 MC442450 [1,1,0,0,0,0|1,0,1]=4 424 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=C1 MC113287 [1,1,0,0,0,0|2,0,0]=4 425 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 CS18810 [1,1,0,0,0,0|1,0,1]=4 426 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 CS12500 [1,1,0,0,0,0|1,0,1]=4 427 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 CS13742 [1,1,0,0,0,0|0,0,0]=2 428 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 MC441106 [1,1,0,0,0,0|0,0,0]=2 429 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 MC441035 [1,1,0,0,0,0|0,0,0]=2 430 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 CS10985 [1,1,0,0,0,0|1,0,0]=3 431 B13R2.3683 OC1=NC2=NC=C(Br)C=C2C=C1 CS10617 [1,1,0,0,0,0|2,0,0]=4 432 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 MC115647 [1,1,0,0,0,0|2,0,0]=4 433 B13R2.5179 BrC1=CC2=CC=CC(I)=C2N=C1 MC102529 [1,1,0,0,0,0|2,0,0]=4 434 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CS15541 [1,1,0,0,0,0|2,0,0]=4 435 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 MC443382 [1,1,0,0,0,0|1,0,0]=3 436 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 MC443731 [1,1,0,0,0,0|0,0,0]=2 437 B13R2.5179 CC1=CC=NC2=CC(Br)=CC=C12 CS14818 [1,1,0,0,0,0|2,0,0]=4 438 B13R2.5179 CC1=CC=NC2=CC(N)=CC=C12 CS14685 [1,1,0,0,0,0|2,0,0]=4 439 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 MC41751 [1,1,0,0,0,0|1,0,0]=3 440 B13R2.5179 ClC1=CC=C2C(=C1)C=CN=C2Br MC111222 [1,1,0,0,0,0|2,0,0]=4 441 B13R2.5179 ClC1=CC=C2C(=C1)C=CN=C2Cl CS18402 [1,1,0,0,0,0|2,0,0]=4 442 B13R2.5179 ClC1=CC=C2C(Br)=CC=NC2=C1 CS19437 [1,1,0,0,0,0|2,0,0]=4 443 B13R2.5179 ClC1=CC=C2C(Cl)=CC=NC2=C1 CS21354 [1,1,0,0,0,0|2,0,0]=4 444 B13R2.5179 ClC1=CC=NC2=CC(Br)=CC=C12 CS19306 [1,1,0,0,0,0|2,0,0]=4 445 B13R2.5179 ClC1=CC=NC2=CC(I)=CC=C12 CS18880 [1,1,0,0,0,0|2,0,0]=4 446 B13R2.5179 ClC1=NC=CC2=CC(Br)=CC=C21 CS18144 [1,1,0,0,0,0|2,0,0]=4 447 B13R2.5179 FC1=C2C=NC(Cl)=CC2=CC=C1 MC10452 [1,1,0,0,0,0|2,0,0]=4 448 B13R2.5179 FC1=C2N=CC(Br)=CC2=CC=C1 MC429330 [1,1,0,0,0,0|2,0,0]=4 449 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 MC115831 [1,1,0,0,0,0|2,0,0]=4 450 B13R2.5179 FC1=CC=C2C(Br)=CC=NC2=C1 CS19584 [1,1,0,0,0,0|2,0,0]=4 451 B13R2.5179 FC1=CC=C2C(Cl)=CC=NC2=C1 CS19031 [1,1,0,0,0,0|2,0,0]=4 452 B13R2.5179 NC1=CC=C2C(=C1)C=CN=C2Cl CS16892 [1,1,0,0,0,0|2,0,0]=4 453 B13R2.5179 NC1=CC=C2C(=C1)C=CN=C2O MC33375 [1,1,0,0,0,0|2,0,0]=4 454 B13R2.5179 NC1=CC=C2C(Cl)=CC=NC2=C1 CS16423 [1,1,0,0,0,0|2,0,0]=4 455 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 MC432422 [1,1,0,0,0,0|1,0,0]=3 456 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 MC107756 [1,1,0,0,0,0|2,0,0]=4 457 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 MC441079 [1,1,0,0,0,0|2,0,0]=4 458 B13R2.5179 NC1=NC=CC2=CC(Br)=CC=C21 CS17632 [1,1,0,0,0,0|2,0,0]=4 459 B13R2.5179 NC1=NC=CC2=CC(Cl)=CC=C21 MC443742 [1,1,0,0,0,0|2,0,0]=4 460 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 MC103322 [1,1,0,0,0,0|1,0,1]=4 461 B13R2.5179 O=C1C=CNC2=CC(Br)=CC=C12 CS16698 [1,1,0,0,0,0|2,0,0]=4 462 B13R2.5179 O=C1C=COC2=CC(Br)=CC=C12 CS16488 [1,1,0,0,0,0|2,0,0]=4 463 B13R2.5179 O=C1NC=CC2=CC(Br)=CC=C12 CS17624 [1,1,0,0,0,0|2,0,0]=4 464 B13R2.5179 O=C1NC=CC2=CC(F)=CC=C12 CS12603 [1,1,0,0,0,0|2,0,0]=4 465 B13R2.5179 OC1=CC2=NC=CC(Cl)=C2N=C1 MC443590 [1,1,0,0,0,0|2,0,0]=4 466 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl MC111225 [1,1,0,0,0,0|1,0,0]=3 467 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [1,1,0,0,0,0|0,0,0]=2 468 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 MC425086 [1,1,0,0,0,0|1,0,0]=3 469 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS16736 [1,1,0,0,0,0|1,0,0]=3 470 B13R2.5179 OC1=CC=CC2=CC(F)=CC=C12 MC431749 [1,1,0,0,0,0|1,0,0]=3 471 B13R2.5179 OC1=CC=NC2=CC(Br)=CC=C12 CS15357 [1,1,0,0,0,0|2,0,0]=4 472 B13R2.5179 OC1=CC=NC2=CC(F)=CC=C12 MC431988 [1,1,0,0,0,0|2,0,0]=4 473 B13R2.1 NCCC1=CNC2=CC=CC=C12 CS11096 [0,1,0,0,1,0|2,0,0]=4 474 B13R2.1 NCCC1=COC2=C1C=CC=C2 CS12984 [0,1,0,0,1,0|2,0,0]=4 475 B13R2.1 NCCN1C=CC2=CC=CC=C21 MC111243 [0,1,0,0,1,0|2,0,0]=4 476 B13R2.1 OCCN1C=CC2=CC=CC=C21 CS16151 [0,1,0,0,1,0|2,0,0]=4 477 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 CS10069 [0,1,0,0,1,0|2,0,0]=4 478 B13R2.662 COC1=NNC2=CC(Br)=CC=C21 MC104983 [0,1,0,0,1,0|2,0,0]=4 479 B13R2.662 COC1=NNC2=CC(N)=CC=C21 MC103815 [0,1,0,0,1,0|2,0,0]=4 480 B13R2.2091 COC1=NNC2=CC=CC(Br)=C21 MC104984 [0,1,0,0,1,0|2,0,0]=4 481 B13R2.2136 COC1=NNC2=CC=C(Br)C=C21 CS15859 [0,1,0,0,1,0|2,0,0]=4 482 B13R2.2136 COC1=NNC2=CC=C(N)C=C21 MC104986 [0,1,0,0,1,0|2,0,0]=4 483 B13R2.43 CCC1=CC2=C(C=CC(Br)=C2)O1 CS16990 [0,1,0,0,1,0|2,0,0]=4 484 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,1,0,0,1,0|2,0,0]=4 485 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,1,0,0,1,0|2,0,0]=4 486 B13R2.84 COC1=C(Br)C2=C(C=CN2)C=N1 CS15225 [0,1,0,0,1,0|2,0,0]=4 487 B13R2.84 COC1=CC=C2NC=CC2=C1Br MC443548 [0,1,0,0,1,0|1,0,0]=3 488 B13R2.84 COC1=CC=C2NC=CC2=C1C MC111281 [0,1,0,0,1,0|1,0,0]=3 489 B13R2.84 COC1=CC=C2NC=CC2=C1F MC432494 [0,1,0,0,1,0|1,0,0]=3 490 B13R2.84 COC1=CN=C2NC=CC2=C1Br MC104170 [0,1,0,0,1,0|2,0,0]=4 491 B13R2.84 COC1=CN=C2NC=CC2=C1I MC104169 [0,1,0,0,1,0|2,0,0]=4 492 B13R2.430 CC(=O)C1=CC=C2C=CNC2=C1 CS16097 [0,1,0,0,1,0|2,0,0]=4 493 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 CS19941 [0,1,0,0,1,0|2,0,0]=4 494 B13R2.449 CCOC1=CC=C2NN=CC2=C1 MC107024 [0,1,0,0,1,0|2,0,0]=4 495 B13R2.449 NCCC1=CC=C2NC=CC2=C1 CS16534 [0,1,0,0,1,0|2,0,0]=4 496 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 CS15247 [0,1,0,0,1,0|1,0,0]=3 497 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 MC444417 [0,1,0,0,1,0|2,0,0]=4 498 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 MC115997 [0,1,0,0,1,0|1,0,0]=3 499 B13R2.599 COC1=C(N)C=C2C=NNC2=C1 MC115959 [0,1,0,0,1,0|2,0,0]=4 500 B13R2.599 COC1=CC2=C(C=C1Br)N=CN2 CS16251 [0,1,0,0,1,0|2,0,0]=4 501 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 CS22669 [0,1,0,0,1,0|2,0,0]=4 502 B13R2.654 COC1=CC(Br)=C2NN=CC2=C1 MC111113 [0,1,0,0,1,0|2,0,0]=4 503 B13R2.654 COC1=CC(C)=C2C=CNC2=C1 CS16807 [0,1,0,0,1,0|1,0,0]=3 504 B13R2.654 COC1=CC(Cl)=C2C=CNC2=C1 MC443547 [0,1,0,0,1,0|1,0,0]=3 505 B13R2.654 COC1=CC2=C(NC=N2)C(Br)=C1 MC107550 [0,1,0,0,1,0|2,0,0]=4 506 B13R2.654 COC1=CC2=C(OC=C2)C(Br)=C1 MC441154 [0,1,0,0,1,0|1,0,0]=3 507 B13R2.669 COC1=CC=C2C=NN(C)C2=C1 MC427128 [0,1,0,0,1,0|2,0,0]=4 508 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 CS10008 [0,1,0,0,1,0|0,0,2]=4 509 B13R2.669 COC1=CC=C2NC=C(C)C2=N1 MC105799 [0,1,0,0,1,0|2,0,0]=4 510 B13R2.669 COC1=CC=C2NN=C(I)C2=C1 MC425561 [0,1,0,0,1,0|2,0,0]=4 511 B13R2.669 COC1=CN=C2NC=C(Br)C2=C1 MC107258 [0,1,0,0,1,0|2,0,0]=4 512 B13R2.669 COC1=CN=C2NC=C(I)C2=C1 MC425631 [0,1,0,0,1,0|2,0,0]=4 513 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 CS14096 [0,1,0,0,1,0|2,0,0]=4 514 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)N2 MC425727 [0,1,0,0,1,0|2,0,0]=4 515 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 CS10723 [0,1,0,0,1,0|2,0,0]=4 516 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 CS10722 [0,1,0,0,1,0|2,0,0]=4 517 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 CS20737 [0,1,0,0,1,0|2,0,0]=4 518 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 CS20926 [0,1,0,0,1,0|2,0,0]=4 519 B13R2.2121 COC1=CC2=C(C=C1)N=C(S)N2 MC426122 [0,1,0,0,1,0|2,0,0]=4 520 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 MC31142 [0,1,0,0,1,0|2,0,0]=4 521 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 MC31086 [0,1,0,0,1,0|2,0,0]=4 522 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 CS16845 [0,1,0,0,1,0|2,0,0]=4 523 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 CS12902 [0,1,0,0,1,0|2,0,0]=4 524 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 CS15903 [0,1,0,0,1,0|1,0,1]=4 525 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 MC10333 [0,1,0,0,1,0|1,0,0]=3 526 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 MC20845 [0,1,0,0,1,0|1,0,1]=4 527 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 MC446648 [0,1,0,0,1,0|1,0,0]=3 528 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 MC33417 [0,1,0,0,1,0|2,0,0]=4 529 B13R2.2130 COC1=CC=C2C(=C1)NN=C2Br MC106942 [0,1,0,0,1,0|2,0,0]=4 530 B13R2.2130 COC1=CC=C2C(=C1)NN=C2C CS13313 [0,1,0,0,1,0|2,0,0]=4 531 B13R2.2130 COC1=CC=C2C(=C1)NN=C2I CS12160 [0,1,0,0,1,0|2,0,0]=4 532 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CS10007 [0,1,0,0,1,0|0,0,2]=4 533 B15R2.274 CNC1=C(C)C=C2N=CC=CC2=C1N MC111442 [0,2,0,0,0,0|2,0,0]=4 534 B15R2.627 CC1=C(B(O)O)C=CC2=CC=CC=C21 MC100344 [0,2,0,0,0,0|2,0,0]=4 535 B15R2.627 CC1=C(C(=O)O)C=CC2=CC=CC=C21 MC431943 [0,2,0,0,0,0|2,0,0]=4 536 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 CS16433 [0,2,0,0,0,0|2,0,0]=4 537 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 CS16169 [0,2,0,0,0,0|2,0,0]=4 538 B15R2.2115 BrCC1=C(CBr)C2=CC=CC=C2C=C1 MC113493 [0,2,0,0,0,0|2,0,0]=4 539 B15R2.2115 COC1=C(C#N)C2=CC=CC=C2C=C1 MC445191 [0,2,0,0,0,0|0,0,0]=2 540 B15R2.4778 COC1=C(O)C2=CC=C(Cl)C=C2N=C1 MC431763 [0,2,0,0,0,0|1,0,0]=3 541 B15R2.19973 CNC1=CC(C)=C2N=CC=CC2=C1N MC111439 [0,2,0,0,0,0|2,0,0]=4 542 B15R2.1290 CCOC1=CC=C2N=CN=C(Cl)C2=C1 CS22774 [0,2,0,0,0,0|2,0,0]=4 543 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 MC33372 [0,2,0,0,0,0|1,0,0]=3 544 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 CS16739 [0,2,0,0,0,0|2,0,0]=4 545 B15R2.1668 CC(=O)NC1=CC=C2N=CC=CC2=C1 MC106797 [0,2,0,0,0,0|2,0,0]=4 546 B15R2.1668 CC(=O)OC1=CC=C2N=CC=CC2=C1 MC106776 [0,2,0,0,0,0|1,0,0]=3 547 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 MC431732 [0,2,0,0,0,0|0,0,0]=2 548 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 CS11578 [0,2,0,0,0,0|1,0,1]=4 549 B15R2.1824 CCC1=CC2=CC(Br)=CC=C2N=C1Cl MC114396 [0,2,0,0,0,0|2,0,0]=4 550 B15R2.1824 COC1=C(Br)C=C2C=NC(Cl)=NC2=C1 MC101934 [0,2,0,0,0,0|2,0,0]=4 551 B15R2.4776 COC1=CC=C2C=CC(C#N)=CC2=C1 MC445697 [0,2,0,0,0,0|0,0,0]=2 552 B15R2.4776 COC1=CC=C2C=CC(OC)=CC2=C1 MC10460 [0,2,0,0,0,0|0,0,0]=2 553 B15R2.4807 COC1=NC2=C(Br)C(F)=CN=C2C=C1 MC113816 [0,2,0,0,0,0|2,0,0]=4 554 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=C1 MC111503 [0,2,0,0,0,0|2,0,0]=4 555 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 MC441104 [0,2,0,0,0,0|2,0,0]=4 556 B15R2.21336 COC1=CC=C2N=C(Cl)C(Cl)=NC2=C1 MC426005 [0,2,0,0,0,0|2,0,0]=4 557 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 MC443259 [0,2,0,0,0,0|2,0,0]=4 558 B15R2.21336 N#CC1=CC2=CC(Br)=C(Br)C=C2C=C1 MC115308 [0,2,0,0,0,0|2,0,0]=4 559 B15R2.21336 OCC1=CC2=CC(Br)=C(Br)C=C2C=C1 MC115307 [0,2,0,0,0,0|2,0,0]=4 560 B15R2.89396 COC1=CC=C2C(=C1)N=C(Cl)N=C2Cl CS21092 [0,2,0,0,0,0|2,0,0]=4 561 B15R2.89396 COC1=CC=C2C(=C1)N=C(O)N=C2O CS15894 [0,2,0,0,0,0|2,0,0]=4 562 B15R2.89396 COC1=CC=C2C(Cl)=CC(Cl)=NC2=C1 MC107837 [0,2,0,0,0,0|1,0,0]=3 563 B15R2.2393 COC1=C(Cl)C=C2N=CN=C(Cl)C2=C1 CS16553 [0,2,0,0,0,0|2,0,0]=4 564 B15R2.2393 COC1=C(Cl)C=C2N=CNC(=O)C2=C1 CS18082 [0,2,0,0,0,0|2,0,0]=4 565 B15R2.2393 COC1=C(F)C=C2N=CC=C(N)C2=C1 MC432256 [0,2,0,0,0,0|1,0,0]=3 566 B15R2.2393 COC1=C(F)C=C2N=CN=C(Cl)C2=C1 MC103915 [0,2,0,0,0,0|2,0,0]=4 567 B15R2.2393 COC1=C(F)C=C2NC=NC(=O)C2=C1 MC103916 [0,2,0,0,0,0|2,0,0]=4 568 B15R2.2393 COC1=C(O)C=C2N=CC=C(Cl)C2=C1 CS13109 [0,2,0,0,0,0|1,0,0]=3 569 B15R2.21329 COC1=CC=C2N=C(Cl)C=C(Cl)C2=N1 CS17022 [0,2,0,0,0,0|2,0,0]=4 570 B15R2.21329 COC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 CS21088 [0,2,0,0,0,0|2,0,0]=4 571 B15R2.21329 COC1=CC=C2N=C(O)C=C(O)C2=C1 CS18728 [0,2,0,0,0,0|1,0,0]=3 572 B15R2.21329 COC1=CC=C2N=C(O)N=C(O)C2=C1 MC110659 [0,2,0,0,0,0|2,0,0]=4 573 B15R2.21329 COC1=CC=C2NC(=O)OC(=O)C2=C1 MC433923 [0,2,0,0,0,0|2,0,0]=4 574 B15R2.61353 CC1=CC=CC2=CC=C(C(=O)O)C=C12 MC431946 [0,2,0,0,0,0|2,0,0]=4 575 B15R2.984 CC1=CC2=CC=CC=C2C=C1C(=O)O MC431948 [0,2,0,0,0,0|2,0,0]=4 576 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS16286 [0,2,0,0,0,0|2,0,0]=4 577 B15R2.4441 NS(=O)(=O)C1=CC2=CC=CC=C2C=C1 MC21157 [0,2,0,0,0,0|1,1,0]=4 578 B15R2.4441 O=S(=O)(Cl)C1=CC2=CC=CC=C2C=C1 CS11267 [0,2,0,0,0,0|1,1,0]=4 579 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 CS21707 [0,2,0,0,0,0|1,1,0]=4 580 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 MC40424 [0,2,0,0,0,0|1,1,0]=4 581 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 MC428178 [0,2,0,0,0,0|1,0,0]=3 582 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 MC428179 [0,2,0,0,0,0|1,0,0]=3 583 B15R2.7180 CN(C)C1=CC2=CC=C(Br)C=C2C=C1 MC106996 [0,2,0,0,0,0|1,0,0]=3 584 B15R2.7180 N=C(N)c1ccc2cc(O)ccc2c1 MC10373 [0,2,0,0,0,0|2,0,0]=4 585 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2C=C1 MC442586 [0,2,0,0,0,0|2,0,0]=4 586 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 CS11551 [0,2,0,0,0,0|2,0,0]=4 587 B15R2.7180 OB(O)C1=CC2=CC=C(O)C=C2C=C1 MC441460 [0,2,0,0,0,0|2,0,0]=4 588 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2C=C1 CS10277 [0,2,0,0,0,0|2,0,0]=4 589 B15R2.117 COC1=CC2=CC=CC=C2C=C1C=O MC425433 [0,2,0,0,0,0|0,0,0]=2 590 B15R2.117 COC1=NC2=CC=CC=C2N=C1OC CS19228 [0,2,0,0,0,0|2,0,0]=4 591 B15R2.2039 COC1=C(N)C=C2C(=O)NC=NC2=C1 CS17760 [0,2,0,0,0,0|2,0,0]=4 592 B15R2.2039 COC1=C(O)C=C2C(=O)N=CNC2=C1 CS13847 [0,2,0,0,0,0|2,0,0]=4 593 B15R2.2310 COC1=CC=C2C(C#N)=CC=NC2=C1 MC425085 [0,2,0,0,0,0|1,0,0]=3 594 B15R2.4780 COC1=CC=C2C=C(C=O)C=CC2=C1 CS10089 [0,2,0,0,0,0|0,0,0]=2 595 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 MC105793 [0,0,1,1,0,0|2,0,0]=4 596 B13R2.573 CN1C=CC2=C1C=CC=C2C=O CS13359 [0,0,1,1,0,0|2,0,0]=4 597 B13R2.611 COC1=C2C=CNC2=C(Br)C=C1 CS10793 [0,0,1,1,0,0|2,0,0]=4 598 B13R2.611 COC1=C2NC=CC2=C(Br)C=C1 CS15095 [0,0,1,1,0,0|2,0,0]=4 599 B13R2.611 COC1=CC=C(Br)C2=C1OC=C2 MC441287 [0,0,1,1,0,0|2,0,0]=4 600 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,0,1,0,1,0|2,0,0]=4 601 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,0,1,0,1,0|2,0,0]=4 602 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,0,1,0,1,0|2,0,0]=4 603 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,0,1,0,1,0|2,0,0]=4 604 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,0,1,0,1,0|2,0,0]=4 605 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [1,0,0,0,1,0|2,0,0]=4 606 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,0,1,0|0,0,1]=3 607 B11R2.1 CC1=CNC2=C1C=NC=C2 MC443768 [1,0,0,0,1,0|2,0,0]=4 608 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,0,0,0,1,0|1,0,0]=3 609 B11R2.1 CC1=CNC2=NC=CC=C12 CS22368 [1,0,0,0,1,0|2,0,0]=4 610 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,0,0,0,1,0|1,0,0]=3 611 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [1,0,0,0,1,0|2,0,0]=4 612 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [1,0,0,0,1,0|2,0,0]=4 613 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,0,0,0,1,0|1,0,0]=3 614 B11R2.1 CN1C=CC2=CC=CN=C21 CS20755 [1,0,0,0,1,0|2,0,0]=4 615 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [1,0,0,0,1,0|2,0,0]=4 616 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [1,0,0,0,1,0|2,0,0]=4 617 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [1,0,0,0,1,0|2,0,0]=4 618 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [1,0,0,0,1,0|2,0,0]=4 619 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [1,0,0,0,1,0|2,0,0]=4 620 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [1,0,0,0,1,0|2,0,0]=4 621 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [1,0,0,0,1,0|1,0,1]=4 622 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [1,0,0,0,1,0|2,0,0]=4 623 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [1,0,0,0,1,0|0,0,1]=3 624 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [1,0,0,0,1,0|1,0,0]=3 625 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [1,0,0,0,1,0|2,0,0]=4 626 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [1,0,0,0,1,0|2,0,0]=4 627 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [1,0,0,0,1,0|2,0,0]=4 628 B11R2.10 CC1=CN2C=CC=CC2=N1 CS21691 [1,0,0,0,1,0|2,0,0]=4 629 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [1,0,0,0,1,0|2,0,0]=4 630 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [1,0,0,0,1,0|2,0,0]=4 631 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [1,0,0,0,1,0|2,0,0]=4 632 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [1,0,0,0,1,0|2,0,0]=4 633 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [1,0,0,0,1,0|2,0,0]=4 634 B11R2.10 OC1=CN2C=CC=CC2=N1 CS15598 [1,0,0,0,1,0|2,0,0]=4 635 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [1,0,0,0,1,0|2,0,0]=4 636 B11R2.10 OC1=NN2C=CC=CC2=C1 MC106909 [1,0,0,0,1,0|2,0,0]=4 637 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 MC41758 [1,0,0,0,1,0|2,0,0]=4 638 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 CS10670 [1,0,0,0,1,0|2,0,0]=4 639 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 MC20420 [1,0,0,0,1,0|2,0,0]=4 640 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 MC115957 [1,0,0,0,1,0|2,0,0]=4 641 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 CS12830 [1,0,0,0,1,0|2,0,0]=4 642 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS22089 [1,0,0,0,1,0|2,0,0]=4 643 B11R2.36 BrC1=CC=C2NC=CC2=C1 CS17784 [1,0,0,0,1,0|2,0,0]=4 644 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MC441161 [1,0,0,0,1,0|1,0,0]=3 645 B11R2.36 CC1=CC2=C(C=C1)OC=N2 MC425792 [1,0,0,0,1,0|2,0,0]=4 646 B11R2.36 CC1=CC2=C(C=CS2)C=C1 MC441147 [1,0,0,0,1,0|1,0,0]=3 647 B11R2.36 CC1=CC=C2C=CCC2=C1 MC446782 [1,0,0,0,1,0|0,0,1]=3 648 B11R2.36 CC1=CC=C2C=CNC2=N1 CS10731 [1,0,0,0,1,0|2,0,0]=4 649 B11R2.36 CC1=CC=C2NC=CC2=C1 CS11033 [1,0,0,0,1,0|1,0,0]=3 650 B11R2.36 CC1=CC=C2NN=CC2=C1 MC425397 [1,0,0,0,1,0|2,0,0]=4 651 B11R2.36 CC1=CN=C2NC=CC2=C1 CS10438 [1,0,0,0,1,0|2,0,0]=4 652 B11R2.36 CC1=NC=C2C=CNC2=C1 MC105009 [1,0,0,0,1,0|2,0,0]=4 653 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 MC441158 [1,0,0,0,1,0|2,0,0]=4 654 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 CS20641 [1,0,0,0,1,0|2,0,0]=4 655 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 MC441280 [1,0,0,0,1,0|2,0,0]=4 656 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 MC441268 [1,0,0,0,1,0|2,0,0]=4 657 B11R2.36 ClC1=CC=C2C=CNC2=C1 CS22097 [1,0,0,0,1,0|2,0,0]=4 658 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS22049 [1,0,0,0,1,0|2,0,0]=4 659 B11R2.36 FC1=CC2=C(C=C1)OC=C2 MC441159 [1,0,0,0,1,0|2,0,0]=4 660 B11R2.36 FC1=CC2=C(C=CS2)C=C1 MC113470 [1,0,0,0,1,0|2,0,0]=4 661 B11R2.36 FC1=CC=C2C=CNC2=C1 MC31140 [1,0,0,0,1,0|2,0,0]=4 662 B11R2.36 FC1=CC=C2CC=CC2=C1 MC446777 [1,0,0,0,1,0|1,0,1]=4 663 B11R2.36 FC1=CC=C2NC=CC2=C1 CS22058 [1,0,0,0,1,0|2,0,0]=4 664 B11R2.36 IC1=CC=C2C=CNC2=C1 CS13433 [1,0,0,0,1,0|2,0,0]=4 665 B11R2.36 NC1=CC2=C(C=CS2)C=C1 MC443212 [1,0,0,0,1,0|2,0,0]=4 666 B11R2.36 NC1=CC=C2NC=CC2=C1 CS20917 [1,0,0,0,1,0|2,0,0]=4 667 B11R2.36 OC1=CC2=C(C=C1)C=NO2 CS12459 [1,0,0,0,1,0|2,0,0]=4 668 B11R2.36 OC1=CC2=C(C=C1)N=CS2 CS10613 [1,0,0,0,1,0|2,0,0]=4 669 B11R2.36 OC1=CC2=C(C=C1)OC=C2 MC443249 [1,0,0,0,1,0|1,0,0]=3 670 B11R2.36 OC1=CC2=C(C=C1)SC=C2 MC111398 [1,0,0,0,1,0|1,0,0]=3 671 B11R2.36 OC1=CC2=C(C=C1)SC=N2 MC427507 [1,0,0,0,1,0|2,0,0]=4 672 B11R2.36 OC1=CC2=C(C=CO2)C=C1 CS20605 [1,0,0,0,1,0|1,0,0]=3 673 B11R2.36 OC1=CC2=C(C=CS2)C=C1 MC441864 [1,0,0,0,1,0|1,0,0]=3 674 B11R2.36 OC1=CC=C2C=CNC2=N1 CS14689 [1,0,0,0,1,0|2,0,0]=4 675 B11R2.36 OC1=CC=C2C=NNC2=C1 CS20712 [1,0,0,0,1,0|2,0,0]=4 676 B11R2.36 OC1=CC=C2NC=CC2=C1 CS20861 [1,0,0,0,1,0|1,0,0]=3 677 B11R2.36 OC1=CC=C2NC=CC2=N1 CS12531 [1,0,0,0,1,0|2,0,0]=4 678 B11R2.36 OC1=CC=C2NN=CC2=C1 CS20711 [1,0,0,0,1,0|2,0,0]=4 679 B11R2.36 OC1=CN=C2C=CSC2=C1 CS12905 [1,0,0,0,1,0|2,0,0]=4 680 B11R2.36 OC1=CN=C2NC=CC2=C1 CS18571 [1,0,0,0,1,0|2,0,0]=4 681 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [0,0,1,0,0,1|1,0,0]=3