0 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 MC107111 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 CS17755 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 MC107457 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 BrCC1=CC=C2N=CC=NC2=C1 CS12792 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 MC113801 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.57 Br[Mg]c1ccc2ccccc2c1 MC121324 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS18943 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [0,0,0,0,0,0|1,0,0]=1 8 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS12595 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.57 COC1=CC=C2C=NC=CC2=C1 CS18348 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.57 COC1=CC=C2CCCNC2=C1 CS18836 [0,0,0,0,0,0|2,0,2]=4 12 B13R2.57 COC1=CC=C2CNCCC2=C1 CS18370 [0,0,0,0,0,0|2,0,2]=4 13 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS22118 [0,0,0,0,0,0|0,0,0]=0 14 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS10061 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS20903 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.57 ClCc1ccc2ccccc2c1 MC433891 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.57 N#CC1=CC=C2C=NC=CC2=C1 CS10713 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 CS19734 [0,0,0,0,0,0|2,0,0]=2 19 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 CS20395 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 CS12597 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 MC105831 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 MC116267 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 MC431333 [0,0,0,0,0,0|3,0,0]=3 24 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS18374 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS13970 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 MC107189 [0,0,0,0,0,0|4,0,0]=4 27 B13R2.57 NNC1=CC=C2C=CC=NC2=C1 MC107192 [0,0,0,0,0,0|4,0,0]=4 28 B13R2.57 NNC1=CC=C2C=CN=CC2=C1 MC107191 [0,0,0,0,0,0|4,0,0]=4 29 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 MC107190 [0,0,0,0,0,0|4,0,0]=4 30 B13R2.57 NNC1=CC=C2N=CC=CC2=C1 MC103266 [0,0,0,0,0,0|2,0,0]=2 31 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [0,0,0,0,0,0|4,0,0]=4 32 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [0,0,0,0,0,0|4,0,0]=4 33 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS10500 [0,0,0,0,0,0|2,0,0]=2 34 B13R2.57 O=CC1=NC2=CC=CN=C2C=C1 MC111419 [0,0,0,0,0,0|3,0,0]=3 35 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 CS13773 [0,0,0,0,0,0|3,0,0]=3 36 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 MC33313 [0,0,0,0,0,0|4,0,0]=4 37 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 CS13361 [0,0,0,0,0,0|4,0,0]=4 38 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 MC10341 [0,0,0,0,0,0|2,0,1]=3 39 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 MC442578 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.24 BrC1=CC2=NC=CN=C2N=C1 CS19867 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [1,0,0,0,0,0|1,0,0]=2 48 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CS14624 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.24 BrC1=CC=C2N=CN=CC2=C1 CS18543 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 CS14598 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [1,0,0,0,0,0|0,0,0]=1 57 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS15412 [1,0,0,0,0,0|1,0,0]=2 58 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 CC1=NC2=CN=CC=C2C=C1 MC111420 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 CC1=NC2=NC=CC=C2C=C1 CS18023 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 CC1=NC2=NC=CN=C2C=C1 MC445685 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.24 ClC1=CC2=C(C=N1)N=CN=C2 CS10697 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [1,0,0,0,0,0|1,0,0]=2 68 B12R2.24 ClC1=NC2=C(C=N1)N=CC=C2 MC103931 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 CS16799 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.24 ClC1=NC2=NC=CN=C2C=C1 MC113122 [1,0,0,0,0,0|3,0,0]=4 72 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [1,0,0,0,0,0|3,0,0]=4 74 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [1,0,0,0,0,0|1,0,0]=2 75 B12R2.24 FC1=CC=C2N=CN=CC2=C1 CS17781 [1,0,0,0,0,0|2,0,0]=3 76 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [1,0,0,0,0,0|1,0,0]=2 77 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [1,0,0,0,0,0|2,0,0]=3 78 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [1,0,0,0,0,0|3,0,0]=4 79 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [1,0,0,0,0,0|3,0,0]=4 80 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [1,0,0,0,0,0|3,0,0]=4 81 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [1,0,0,0,0,0|3,0,0]=4 82 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [1,0,0,0,0,0|3,0,0]=4 83 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [1,0,0,0,0,0|1,0,0]=2 84 B12R2.24 NC1=CC=C2N=CC=NC2=C1 CS10612 [1,0,0,0,0,0|2,0,0]=3 85 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [1,0,0,0,0,0|3,0,0]=4 86 B12R2.24 NC1=NC2=CC=CN=C2C=C1 MC115906 [1,0,0,0,0,0|2,0,0]=3 87 B12R2.24 O=C1C=CC2=NC=CN=C2N1 CS12516 [1,0,0,0,0,0|2,0,1]=4 88 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [1,0,0,0,0,0|1,0,0]=2 89 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [1,0,0,0,0,0|2,0,0]=3 90 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [1,0,0,0,0,0|2,0,0]=3 91 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [1,0,0,0,0,0|2,0,0]=3 92 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [1,0,0,0,0,0|2,0,0]=3 93 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [1,0,0,0,0,0|3,0,0]=4 94 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MC442462 [1,0,0,0,0,0|1,0,0]=2 95 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [1,0,0,0,0,0|2,0,1]=4 96 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 CS11559 [0,1,0,0,0,0|1,0,0]=2 97 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br MC106848 [0,1,0,0,0,0|2,0,0]=3 98 B14R2.92 COC1=CC=C2C=CN=CC2=C1Br MC443699 [0,1,0,0,0,0|2,0,0]=3 99 B14R2.92 N#CC1=C(Cl)C2=CC=CN=C2N=C1 MC103567 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 MC445278 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.112 NCCC1=CC=C2C=CC=NC2=C1 MC116294 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS19646 [0,1,0,0,0,0|3,0,0]=4 103 B14R2.112 ONCC1=CC2=CC=CC=C2C=C1 MC107668 [0,1,0,0,0,0|3,0,0]=4 104 B14R2.112 S=C=Nc1ccc2ccccc2c1 MC440427 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 CS16657 [0,1,0,0,0,0|2,0,0]=3 106 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 MC33414 [0,1,0,0,0,0|2,0,0]=3 107 B14R2.134 COC1=CC=C2C=NC(Cl)=NC2=C1 CS17522 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.134 COC1=CC=C2CCC(=O)NC2=C1 CS15545 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 MC105770 [0,1,0,0,0,0|0,0,0]=1 110 B14R2.134 COC1=CC=C2N=CC(Cl)=NC2=C1 CS15574 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 MC442814 [0,1,0,0,0,0|1,0,2]=4 112 B14R2.134 COC1=NC2=CC(Br)=CC=C2C=C1 CS17025 [0,1,0,0,0,0|2,0,0]=3 113 B14R2.134 COC1=NC2=CC(Br)=CC=C2N=C1 MC445710 [0,1,0,0,0,0|3,0,0]=4 114 B14R2.134 N#CC1=CC2=CC(O)=CC=C2C=C1 MC441105 [0,1,0,0,0,0|3,0,0]=4 115 B14R2.134 NCC1=CC=C2N=CC(Br)=CC2=C1 MC111641 [0,1,0,0,0,0|2,0,0]=3 116 B14R2.142 CCC1=CC=C2NC=NC(=O)C2=C1 MC443298 [0,1,0,0,0,0|2,0,1]=4 117 B14R2.142 COC1=CC2=C(C=CNC2=O)N=C1 MC105056 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.142 COC1=CC2=C(Cl)N=CC=C2N=C1 MC105057 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 MC114055 [0,1,0,0,0,0|1,0,0]=2 120 B14R2.142 COC1=CC=C2CCCC(=O)C2=C1 CS10075 [0,1,0,0,0,0|1,0,2]=4 121 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=C1 MC427119 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.142 COC1=CC=C2N=CN=C(O)C2=C1 CS21598 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.142 COC1=CC=C2OCCC(=O)C2=C1 CS10727 [0,1,0,0,0,0|1,0,2]=4 124 B14R2.142 COC1=NC2=C(Cl)C=CN=C2C=C1 MC113270 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.142 COC1=NC=C2N=CC=C(Cl)C2=C1 MC432367 [0,1,0,0,0,0|1,0,0]=2 126 B14R2.142 N#CC1=CC=C2N=CN=C(Cl)C2=C1 MC100233 [0,1,0,0,0,0|3,0,0]=4 127 B14R2.142 N#CC1=CC=C2N=CNC(=O)C2=C1 CS17156 [0,1,0,0,0,0|3,0,0]=4 128 B14R2.142 O=CC1=CC2=C(Br)C=CC=C2C=C1 MC432432 [0,1,0,0,0,0|3,0,0]=4 129 B14R2.142 O=CC1=CC=C2N=CC=C(Cl)C2=C1 CS13111 [0,1,0,0,0,0|2,0,0]=3 130 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [0,1,0,0,0,0|2,0,0]=3 131 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,1,0,0,0,0|3,0,0]=4 132 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 CS11933 [0,1,0,0,0,0|3,0,0]=4 133 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 MC425062 [0,1,0,0,0,0|3,0,0]=4 134 B14R2.781 O=[N+]([O-])C1=CC=C2N=CC=CC2=C1 CS10953 [0,1,0,0,0,0|2,0,0]=3 135 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 CS10062 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 CS14234 [0,1,0,0,0,0|2,0,0]=3 137 B14R2.781 OB(O)C1=CC=C2N=CC=NC2=C1 MC441472 [0,1,0,0,0,0|3,0,0]=4 138 B14R2.1019 COC1=CC(Br)=C2N=CC=CC2=C1 CS14701 [0,1,0,0,0,0|0,0,0]=1 139 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 MC21031 [0,1,0,0,0,0|0,0,0]=1 140 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 MC431958 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.1128 COC1=NC2=CC=CC=C2N=C1C MC111428 [0,1,0,0,0,0|3,0,0]=4 142 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl CS21502 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.1128 N#CC1=C(F)C=C2N=CC=CC2=C1 MC106804 [0,1,0,0,0,0|2,0,0]=3 144 B14R2.1128 O=CC1=C(F)C=C2N=CC=CC2=C1 MC113626 [0,1,0,0,0,0|2,0,0]=3 145 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [0,1,0,0,0,0|3,0,0]=4 146 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2N=C1 MC101943 [0,1,0,0,0,0|3,0,0]=4 147 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2Cl CS15302 [0,1,0,0,0,0|3,0,0]=4 148 B14R2.1801 COC1=CC=C2C(=O)N=CNC2=C1 CS15546 [0,1,0,0,0,0|3,0,0]=4 149 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 CS15544 [0,1,0,0,0,0|2,0,0]=3 150 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 MC10530 [0,1,0,0,0,0|1,0,0]=2 151 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 MC425083 [0,1,0,0,0,0|2,0,0]=3 152 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 MC428257 [0,1,0,0,0,0|2,0,0]=3 153 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 CS11294 [0,1,0,0,0,0|2,0,0]=3 154 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 MC425081 [0,1,0,0,0,0|2,0,0]=3 155 B14R2.1801 COC1=NC=C2C(=O)C=CNC2=C1 MC104551 [0,1,0,0,0,0|3,0,0]=4 156 B14R2.1801 COC1=NC=C2C(Cl)=CC=NC2=C1 MC101942 [0,1,0,0,0,0|3,0,0]=4 157 B14R2.2332 CC1=NC2=CC=C(C=O)C=C2C=C1 CS21683 [0,1,0,0,0,0|2,0,0]=3 158 B14R2.2332 CC1=NC2=CC=C(CBr)C=C2C=C1 CS10592 [0,1,0,0,0,0|2,0,0]=3 159 B14R2.2332 COC1=CC2=CC=C(Br)C=C2N=C1 CS17260 [0,1,0,0,0,0|2,0,0]=3 160 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 CS11560 [0,1,0,0,0,0|1,0,0]=2 161 B14R2.2332 COC1=CC=C2N=C(Cl)C=NC2=C1 CS12777 [0,1,0,0,0,0|1,0,0]=2 162 B14R2.2332 COC1=CC=C2N=C(Cl)N=CC2=C1 CS13141 [0,1,0,0,0,0|1,0,0]=2 163 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 MC442727 [0,1,0,0,0,0|2,0,0]=3 164 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 MC425224 [0,1,0,0,0,0|2,0,0]=3 165 B14R2.2332 N#CC1=CC2=CC=C(Br)C=C2C=C1 MC111963 [0,1,0,0,0,0|3,0,0]=4 166 B14R2.2332 N#CC1=CC2=CC=C(O)C=C2C=C1 CS11544 [0,1,0,0,0,0|3,0,0]=4 167 B14R2.2332 N#CC1=CC=C2N=C(Cl)C=CC2=C1 MC441087 [0,1,0,0,0,0|2,0,0]=3 168 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 CS10087 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 MC20085 [0,0,1,0,0,0|2,0,1]=4 170 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [0,0,0,0,1,0|3,0,0]=4 171 B12R2.1 NCC1=CNC2=NC=CC=C12 MC112998 [0,0,0,0,1,0|3,0,0]=4 172 B12R2.1 O=CC1=CNC2=NC=CC=C12 CS10502 [0,0,0,0,1,0|3,0,0]=4 173 B12R2.1 O=CC1=COC2=NC=CC=C12 MC430546 [0,0,0,0,1,0|3,0,0]=4 174 B12R2.32 CSC1=CN2C=CC=CC2=C1 MC442361 [0,0,0,0,1,0|2,1,0]=4 175 B12R2.32 CSC1=NC2=NC=CC=C2O1 CS17165 [0,0,0,0,1,0|2,1,0]=4 176 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,0,0,0,1,0|3,0,0]=4 177 B12R2.44 C#CC1=CC2=C(C=C1)N=CS2 MC427532 [0,0,0,0,1,0|2,0,1]=4 178 B12R2.44 COC1=CC2=C(C=C1)N=CN2 MC425785 [0,0,0,0,1,0|1,0,0]=2 179 B12R2.44 COC1=CC2=C(C=C1)N=CS2 CS10718 [0,0,0,0,1,0|1,0,0]=2 180 B12R2.44 COC1=CC2=C(C=C1)ON=C2 CS10418 [0,0,0,0,1,0|2,0,0]=3 181 B12R2.44 COC1=CC2=C(C=C1)SC=C2 MC111400 [0,0,0,0,1,0|1,0,0]=2 182 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [0,0,0,0,1,0|1,0,0]=2 183 B12R2.44 COC1=CC2=C(C=CS2)C=C1 CS16120 [0,0,0,0,1,0|1,0,0]=2 184 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [0,0,0,0,1,0|1,0,0]=2 185 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [0,0,0,0,1,0|2,0,0]=3 186 B12R2.44 COC1=CC=C2C=NNC2=N1 MC104425 [0,0,0,0,1,0|3,0,0]=4 187 B12R2.44 COC1=CC=C2CCNC2=C1 MC20447 [0,0,0,0,1,0|1,0,2]=4 188 B12R2.44 COC1=CC=C2CNCC2=C1 CS12707 [0,0,0,0,1,0|1,0,2]=4 189 B12R2.44 COC1=CC=C2CNCC2=C1 MC100224 [0,0,0,0,1,0|1,0,2]=4 190 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [0,0,0,0,1,0|0,0,1]=2 191 B12R2.44 COC1=CC=C2NC=CC2=N1 CS18048 [0,0,0,0,1,0|1,0,1]=3 192 B12R2.44 COC1=CC=C2NCCC2=C1 CS17324 [0,0,0,0,1,0|0,0,3]=4 193 B12R2.44 COC1=CC=C2NN=CC2=C1 MC425643 [0,0,0,0,1,0|1,0,1]=3 194 B12R2.44 COC1=CC=C2NN=CC2=N1 MC104480 [0,0,0,0,1,0|2,0,1]=4 195 B12R2.44 COC1=CN2C=CN=C2C=C1 CS16254 [0,0,0,0,1,0|1,0,0]=2 196 B12R2.44 COC1=CN=C2C=CNC2=C1 MC105229 [0,0,0,0,1,0|2,0,0]=3 197 B12R2.44 COC1=CN=C2NC=CC2=C1 MC425416 [0,0,0,0,1,0|1,0,1]=3 198 B12R2.44 COC1=NC=C2NC=CC2=C1 MC428300 [0,0,0,0,1,0|1,0,1]=3 199 B12R2.44 COC1=NC=C2NN=CC2=C1 MC441196 [0,0,0,0,1,0|2,0,1]=4 200 B12R2.44 CSC1=CC=C2NC=CC2=C1 MC106667 [0,0,0,0,1,0|0,1,1]=3 201 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 CS20604 [0,0,0,0,1,0|3,0,0]=4 202 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 MC441160 [0,0,0,0,1,0|3,0,0]=4 203 B12R2.44 N#CC1=CC2=C(C=CS2)C=C1 MC107108 [0,0,0,0,1,0|3,0,0]=4 204 B12R2.44 N#CC1=CC=C2C=CNC2=C1 CS21458 [0,0,0,0,1,0|3,0,0]=4 205 B12R2.44 N#CC1=CC=C2NC=CC2=C1 MC41769 [0,0,0,0,1,0|2,0,1]=4 206 B12R2.44 NCC1=CC2=C(C=CS2)C=C1 MC107109 [0,0,0,0,1,0|3,0,0]=4 207 B12R2.44 NCC1=CC=C2NC=CC2=C1 MC425742 [0,0,0,0,1,0|2,0,1]=4 208 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 CS15841 [0,0,0,0,1,0|3,0,0]=4 209 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 MC427239 [0,0,0,0,1,0|3,0,0]=4 210 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CS21474 [0,0,0,0,1,0|3,0,0]=4 211 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [0,0,0,0,1,0|3,0,0]=4 212 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 MC441269 [0,0,0,0,1,0|3,0,0]=4 213 B12R2.44 O=CC1=CC=C2C=CNC2=C1 CS21527 [0,0,0,0,1,0|3,0,0]=4 214 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS21526 [0,0,0,0,1,0|2,0,1]=4 215 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 MC427238 [0,0,0,0,1,0|3,0,0]=4 216 B12R2.44 OCC1=CN2C=CN=C2C=C1 CS11474 [0,0,0,0,1,0|3,0,0]=4 217 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,1,0,0,0|2,0,0]=4 218 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.83 COC1=CC=C(N=C=O)C=C1 MC41047 [1,0,1,0,0,0|1,0,1]=4 220 B11R1.83 COC1=CC=C(\C=N\O)C=C1 MC427343 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [1,0,1,0,0,0|0,0,1]=3 222 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [1,0,1,0,0,0|0,0,1]=3 223 B11R1.37 C=CC1=C(C=O)C=C(O)C=C1 MC112221 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.37 C=CC1=C(C=O)C=CC(C)=C1 MC112222 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 MC41095 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.279 COC1=CC(C)=C(C=O)C=C1 MC41126 [1,0,1,0,0,0|1,0,1]=4 227 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 CS14902 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.279 COC1=CC(F)=C(C=O)C=C1 CS10812 [1,0,1,0,0,0|2,0,0]=4 229 B11R1.279 COC1=CC(O)=C(C=O)C=C1 CS20937 [1,0,1,0,0,0|2,0,0]=4 230 B11R1.280 COC1=CC(C=O)=C(Br)C=C1 CS20806 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.280 COC1=CC(C=O)=C(C)C=C1 MC433445 [1,0,1,0,0,0|1,0,1]=4 232 B11R1.280 COC1=CC(C=O)=C(Cl)C=C1 MC433417 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.280 COC1=CC(C=O)=C(F)C=C1 MC30243 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.280 COC1=CC(C=O)=C(O)C=C1 CS20949 [1,0,1,0,0,0|2,0,0]=4 235 B11R1.189 C=CCC1=CC=CC(OC)=C1 MC425775 [1,0,1,0,0,0|0,0,1]=3 236 B11R2.20 C1=CC2=CN=CC=C2N=C1 MC442547 [2,0,0,0,0,0|1,0,0]=3 237 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [2,0,0,0,0,0|2,0,0]=4 238 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [2,0,0,0,0,0|1,0,1]=4 239 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [2,0,0,0,0,0|0,0,0]=2 240 B11R2.20 C1=CC=C2N=CC=NC2=C1 CS11932 [2,0,0,0,0,0|1,0,0]=3 241 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [2,0,0,0,0,0|1,0,0]=3 242 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [2,0,0,0,0,0|1,0,0]=3 243 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS20548 [2,0,0,0,0,0|1,0,0]=3 244 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 CS14849 [0,1,1,0,0,0|1,0,1]=4 245 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433909 [0,1,1,0,0,0|2,0,0]=4 246 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS11646 [0,1,1,0,0,0|2,0,0]=4 247 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 MC40106 [0,1,1,0,0,0|2,0,0]=4 248 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 MC433906 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 MC21104 [0,1,1,0,0,0|2,0,0]=4 250 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 MC418479 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 MC100339 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.32 CC1=C(O)C2=CC=CC=C2C=C1 CS11396 [1,1,0,0,0,0|1,0,0]=3 253 B13R2.32 CN1C=CC2=CC=CC=C2C1=O CS16983 [1,1,0,0,0,0|2,0,0]=4 254 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 MC443371 [1,1,0,0,0,0|2,0,0]=4 255 B13R2.32 NC1=C(Cl)C=CC2=C1C=CC=N2 CS13243 [1,1,0,0,0,0|1,0,0]=3 256 B13R2.32 NC1=C(I)C2=CC=CC=C2C=C1 MC432564 [1,1,0,0,0,0|2,0,0]=4 257 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 MC111623 [1,1,0,0,0,0|2,0,0]=4 258 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS20594 [1,1,0,0,0,0|1,0,0]=3 259 B13R2.32 NC1=CC=C2N=CC=CC2=C1N MC425891 [1,1,0,0,0,0|1,0,0]=3 260 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br CS14570 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS11263 [1,1,0,0,0,0|1,0,0]=3 262 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 MC443143 [1,1,0,0,0,0|2,0,0]=4 263 B13R2.32 OC1=CC=C2C=CN=CC2=C1Br MC443700 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.32 OC1=CC=C2N=CC=CC2=C1Cl MC106814 [1,1,0,0,0,0|0,0,0]=2 265 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 CS19954 [1,1,0,0,0,0|2,0,0]=4 266 B13R2.155 BrC1=CC=C2N=CC(I)=CC2=C1 CS18141 [1,1,0,0,0,0|1,0,0]=3 267 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 CS16063 [1,1,0,0,0,0|1,0,0]=3 268 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 MC440720 [1,1,0,0,0,0|2,0,0]=4 269 B13R2.155 CC1=CC=C2N=CC(Cl)=NC2=C1 CS14347 [1,1,0,0,0,0|1,0,0]=3 270 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS11293 [1,1,0,0,0,0|2,0,0]=4 271 B13R2.155 ClC1=CC=C2N=CC(Cl)=NC2=C1 CS19175 [1,1,0,0,0,0|2,0,0]=4 272 B13R2.155 ClC1=NC2=CC(Br)=CC=C2N=C1 MC442561 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 MC106791 [1,1,0,0,0,0|1,0,0]=3 274 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 CS16303 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.155 O=C1C=NC2=CC=C(F)C=C2N1 MC431055 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 CS18626 [1,1,0,0,0,0|1,0,0]=3 277 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 CS14588 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.155 OC1=CC2=CC(F)=CC=C2C=N1 CS16284 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.155 OC1=CC=C2C=CC(O)=NC2=C1 CS18652 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 CS16651 [1,1,0,0,0,0|0,0,0]=2 281 B13R2.162 BrC1=CC=C2N=CC=C(I)C2=C1 CS19602 [1,1,0,0,0,0|1,0,0]=3 282 B13R2.162 BrC1=CC=CC2=CC=C(I)C=C12 MC445702 [1,1,0,0,0,0|2,0,0]=4 283 B13R2.162 Brc1ccc2nccc(Br)c2n1 MC102382 [1,1,0,0,0,0|2,0,0]=4 284 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 MC443164 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.162 CC1=CC=C2C=NC=C(Br)C2=C1 CS16559 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.162 CC1=CC=C2N=CN=C(O)C2=C1 CS22882 [1,1,0,0,0,0|1,0,0]=3 287 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 CS10006 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 CS16057 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.162 ClC1=CC=C2N=CN=C(Cl)C2=C1 CS18443 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.162 ClC1=CC=NC2=CC=C(Br)C=C12 CS19242 [1,1,0,0,0,0|1,0,0]=3 291 B13R2.162 ClC1=NC2=C(Cl)C=CN=C2C=C1 MC102109 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.162 ClC1=NC=NC2=CC=C(Br)C=C21 CS18277 [1,1,0,0,0,0|2,0,0]=4 293 B13R2.162 ClC1=NC=NC2=CC=C(I)C=C21 CS22777 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 CS21365 [1,1,0,0,0,0|1,0,0]=3 295 B13R2.162 FC1=CC=C2N=CN=C(Cl)C2=C1 MC430604 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.162 NC1=CC=NC2=CC=C(Br)C=C12 CS18409 [1,1,0,0,0,0|1,0,0]=3 297 B13R2.162 NC1=NC=NC2=CC=C(Cl)C=C21 CS10698 [1,1,0,0,0,0|2,0,0]=4 298 B13R2.162 NC1=NC=NC2=CC=C(F)C=C21 MC443430 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.162 O=C1C=CN=C2C=CC(Br)=CN12 CS17489 [1,1,0,0,0,0|2,0,0]=4 300 B13R2.162 O=C1NC=NC2=CC=C(Br)C=C12 CS18234 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.162 O=C1NC=NC2=CC=C(F)C=C12 MC430603 [1,1,0,0,0,0|2,0,0]=4 302 B13R2.162 O=C1NC=NC2=CC=C(I)C=C12 MC42317 [1,1,0,0,0,0|2,0,0]=4 303 B13R2.162 O=C1NC=NC2=CC=C(O)C=C12 MC442438 [1,1,0,0,0,0|1,0,0]=3 304 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 MC111226 [1,1,0,0,0,0|2,0,0]=4 305 B13R2.162 OC1=CC=CC2=CC=C(Br)C=C12 MC432537 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.162 OC1=CC=CC2=CC=C(F)C=C12 MC431686 [1,1,0,0,0,0|2,0,0]=4 307 B13R2.162 OC1=CC=NC2=CC=C(Br)C=C12 CS21403 [1,1,0,0,0,0|1,0,0]=3 308 B13R2.162 OC1=CC=NC2=CC=C(I)C=C12 CS18995 [1,1,0,0,0,0|1,0,0]=3 309 B13R2.162 OC1=CC=NC2=CC=C(I)C=C12 MC431692 [1,1,0,0,0,0|1,0,0]=3 310 B13R2.162 OC1=CN=NC2=CC=C(Br)C=C12 MC110833 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.328 BrC1=CC(I)=CC2=CC=CC=C12 MC431929 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 MC431970 [1,1,0,0,0,0|2,0,0]=4 313 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 MC115947 [1,1,0,0,0,0|0,0,0]=2 314 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS10067 [1,1,0,0,0,0|2,0,0]=4 315 B13R2.328 CC1=CC2=CC=CC=C2C(=O)N1 MC33415 [1,1,0,0,0,0|2,0,0]=4 316 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 CS17170 [1,1,0,0,0,0|1,0,0]=3 317 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 MC33405 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 CS22654 [1,1,0,0,0,0|2,0,0]=4 319 B13R2.328 ClC1=C2N=CC=CC2=CC(Br)=C1 CS16279 [1,1,0,0,0,0|1,0,0]=3 320 B13R2.328 NC1=CC(Cl)=C2N=CC=CC2=C1 CS16424 [1,1,0,0,0,0|1,0,0]=3 321 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 CS17133 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.328 O=C1C=C(O)C2=NC=CC=C2N1 CS17474 [1,1,0,0,0,0|1,0,1]=4 323 B13R2.328 OC1=C2N=CC=CC2=CC(Br)=C1 MC443669 [1,1,0,0,0,0|1,0,0]=3 324 B13R2.328 OC1=C2N=CC=CC2=CC(F)=C1 MC121306 [1,1,0,0,0,0|1,0,0]=3 325 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.369 CC1=C(Br)C=C2N=CC=NC2=C1 MC102248 [1,1,0,0,0,0|1,0,0]=3 327 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [1,1,0,0,0,0|0,0,0]=2 328 B13R2.369 FC1=C(Br)C=C2C=CC=NC2=C1 CS14503 [1,1,0,0,0,0|1,0,0]=3 329 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 MC426176 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.3683 BrC1=CC=C2N=C(Br)N=CC2=C1 MC113203 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.3683 BrC1=CC=C2N=C(I)N=CC2=C1 MC442986 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 CS10734 [1,1,0,0,0,0|1,0,0]=3 334 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CS10739 [1,1,0,0,0,0|1,0,0]=3 335 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 CS11285 [1,1,0,0,0,0|1,0,0]=3 336 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 MC41789 [1,1,0,0,0,0|1,0,0]=3 337 B13R2.3683 C[N+]1=CC2=CC=C(Br)C=C2C=C1 MC111531 [1,1,0,0,0,0|2,0,0]=4 338 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=N1 MC431251 [1,1,0,0,0,0|2,0,0]=4 339 B13R2.3683 ClC1=CC=C2N=C(Cl)C=NC2=C1 MC428045 [1,1,0,0,0,0|2,0,0]=4 340 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 CS21349 [1,1,0,0,0,0|1,0,0]=3 341 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=N1 MC425579 [1,1,0,0,0,0|2,0,0]=4 342 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2N=C1 CS12320 [1,1,0,0,0,0|2,0,0]=4 343 B13R2.3683 ClC1=NC=C2N=C(Cl)C=CC2=C1 CS20554 [1,1,0,0,0,0|2,0,0]=4 344 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 MC33106 [1,1,0,0,0,0|2,0,0]=4 345 B13R2.3683 FC1=CC=C2N=C(Cl)C=NC2=C1 CS12214 [1,1,0,0,0,0|2,0,0]=4 346 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 MC107029 [1,1,0,0,0,0|2,0,0]=4 347 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 MC41747 [1,1,0,0,0,0|2,0,0]=4 348 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 MC441034 [1,1,0,0,0,0|2,0,0]=4 349 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 CS16608 [1,1,0,0,0,0|1,0,0]=3 350 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 MC442450 [1,1,0,0,0,0|1,0,1]=4 351 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=C1 MC113287 [1,1,0,0,0,0|1,0,0]=3 352 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=N1 CS10636 [1,1,0,0,0,0|2,0,0]=4 353 B13R2.3683 NC1=NC2=NC=C(Br)C=C2C=C1 MC113205 [1,1,0,0,0,0|2,0,0]=4 354 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 CS18810 [1,1,0,0,0,0|1,0,1]=4 355 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 CS12500 [1,1,0,0,0,0|2,0,0]=4 356 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 CS13742 [1,1,0,0,0,0|1,0,0]=3 357 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 MC441106 [1,1,0,0,0,0|1,0,0]=3 358 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 MC441035 [1,1,0,0,0,0|1,0,0]=3 359 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 CS10985 [1,1,0,0,0,0|0,0,0]=2 360 B13R2.3683 OC1=NC2=NC=C(Br)C=C2C=C1 CS10617 [1,1,0,0,0,0|2,0,0]=4 361 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 MC443382 [1,1,0,0,0,0|2,0,0]=4 362 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 MC443731 [1,1,0,0,0,0|1,0,0]=3 363 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 MC41751 [1,1,0,0,0,0|2,0,0]=4 364 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 MC432422 [1,1,0,0,0,0|2,0,0]=4 365 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl MC111225 [1,1,0,0,0,0|2,0,0]=4 366 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [1,1,0,0,0,0|1,0,0]=3 367 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 MC425086 [1,1,0,0,0,0|2,0,0]=4 368 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS16736 [1,1,0,0,0,0|2,0,0]=4 369 B13R2.5179 OC1=CC=CC2=CC(F)=CC=C12 MC431749 [1,1,0,0,0,0|2,0,0]=4 370 B13R2.1 NCCC1=CNC2=NC=CC=C12 MC106957 [0,1,0,0,1,0|2,0,0]=4 371 B13R2.72 CC(=O)C1=CNC2=NC=CC=C12 CS11312 [0,1,0,0,1,0|2,0,0]=4 372 B13R2.2136 COC1=NNC2=NC=C(Br)C=C21 MC102056 [0,1,0,0,1,0|2,0,0]=4 373 B13R2.84 COC1=C(Br)C2=C(C=CN2)C=N1 CS15225 [0,1,0,0,1,0|2,0,0]=4 374 B13R2.84 COC1=CC=C2NC=CC2=C1Br MC443548 [0,1,0,0,1,0|0,0,1]=3 375 B13R2.84 COC1=CC=C2NC=CC2=C1C MC111281 [0,1,0,0,1,0|0,0,1]=3 376 B13R2.84 COC1=CC=C2NC=CC2=C1F MC432494 [0,1,0,0,1,0|0,0,1]=3 377 B13R2.84 COC1=CN=C2NC=CC2=C1Br MC104170 [0,1,0,0,1,0|1,0,1]=4 378 B13R2.84 COC1=CN=C2NC=CC2=C1I MC104169 [0,1,0,0,1,0|1,0,1]=4 379 B13R2.430 CC(=O)C1=CC2=C(C=C1)N=CS2 MC427236 [0,1,0,0,1,0|2,0,0]=4 380 B13R2.430 CC(=O)C1=CC=C2C=CNC2=C1 CS16097 [0,1,0,0,1,0|2,0,0]=4 381 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 CS19941 [0,1,0,0,1,0|1,0,1]=4 382 B13R2.430 CC(=O)C1=CN2C=CN=C2C=C1 MC443862 [0,1,0,0,1,0|2,0,0]=4 383 B13R2.449 CCOC1=CC=C2NN=CC2=C1 MC107024 [0,1,0,0,1,0|1,0,1]=4 384 B13R2.449 NCCC1=CC=C2NC=CC2=C1 CS16534 [0,1,0,0,1,0|1,0,1]=4 385 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 CS15247 [0,1,0,0,1,0|0,0,1]=3 386 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 MC444417 [0,1,0,0,1,0|1,0,1]=4 387 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 MC115997 [0,1,0,0,1,0|0,0,1]=3 388 B13R2.599 COC1=C(N)C=C2C=NNC2=C1 MC115959 [0,1,0,0,1,0|2,0,0]=4 389 B13R2.599 COC1=CC2=C(C=C1Br)N=CN2 CS16251 [0,1,0,0,1,0|1,0,0]=3 390 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 CS22669 [0,1,0,0,1,0|2,0,0]=4 391 B13R2.654 COC1=CC(Br)=C2NN=CC2=C1 MC111113 [0,1,0,0,1,0|1,0,1]=4 392 B13R2.654 COC1=CC(C)=C2C=CNC2=C1 CS16807 [0,1,0,0,1,0|1,0,0]=3 393 B13R2.654 COC1=CC(Cl)=C2C=CNC2=C1 MC443547 [0,1,0,0,1,0|1,0,0]=3 394 B13R2.654 COC1=CC2=C(NC=N2)C(Br)=C1 MC107550 [0,1,0,0,1,0|1,0,1]=4 395 B13R2.654 COC1=CC2=C(OC=C2)C(Br)=C1 MC441154 [0,1,0,0,1,0|1,0,0]=3 396 B13R2.669 COC1=CC=C2C=NN(C)C2=C1 MC427128 [0,1,0,0,1,0|2,0,0]=4 397 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 CS10008 [0,1,0,0,1,0|0,0,2]=4 398 B13R2.669 COC1=CC=C2NC=C(C)C2=N1 MC105799 [0,1,0,0,1,0|1,0,1]=4 399 B13R2.669 COC1=CC=C2NN=C(I)C2=C1 MC425561 [0,1,0,0,1,0|1,0,1]=4 400 B13R2.669 COC1=CN=C2NC=C(Br)C2=C1 MC107258 [0,1,0,0,1,0|1,0,1]=4 401 B13R2.669 COC1=CN=C2NC=C(I)C2=C1 MC425631 [0,1,0,0,1,0|1,0,1]=4 402 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 CS14096 [0,1,0,0,1,0|1,0,0]=3 403 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)N2 MC425727 [0,1,0,0,1,0|1,0,0]=3 404 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 CS10723 [0,1,0,0,1,0|1,0,0]=3 405 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 CS10722 [0,1,0,0,1,0|1,0,0]=3 406 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 CS20737 [0,1,0,0,1,0|1,0,0]=3 407 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 CS20926 [0,1,0,0,1,0|1,0,0]=3 408 B13R2.2121 COC1=CC2=C(C=C1)N=C(S)N2 MC426122 [0,1,0,0,1,0|1,0,0]=3 409 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 MC31142 [0,1,0,0,1,0|1,0,1]=4 410 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 MC31086 [0,1,0,0,1,0|1,0,1]=4 411 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 CS16845 [0,1,0,0,1,0|2,0,0]=4 412 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 CS12902 [0,1,0,0,1,0|2,0,0]=4 413 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 CS15903 [0,1,0,0,1,0|1,0,1]=4 414 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 MC10333 [0,1,0,0,1,0|0,0,1]=3 415 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 MC20845 [0,1,0,0,1,0|1,0,1]=4 416 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 MC446648 [0,1,0,0,1,0|1,0,0]=3 417 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 MC33417 [0,1,0,0,1,0|1,0,1]=4 418 B13R2.2130 COC1=CC=C2C(=C1)NN=C2Br MC106942 [0,1,0,0,1,0|2,0,0]=4 419 B13R2.2130 COC1=CC=C2C(=C1)NN=C2C CS13313 [0,1,0,0,1,0|2,0,0]=4 420 B13R2.2130 COC1=CC=C2C(=C1)NN=C2I CS12160 [0,1,0,0,1,0|2,0,0]=4 421 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CS10007 [0,1,0,0,1,0|0,0,2]=4 422 B15R2.274 CNC1=C(C)C=C2N=CC=CC2=C1N MC111442 [0,2,0,0,0,0|1,0,0]=3 423 B15R2.627 O=[N+]([O-])C1=C(O)C2=C(C=C1)N=CC=C2 MC106779 [0,2,0,0,0,0|2,0,0]=4 424 B15R2.2115 COC1=C(C#N)C2=CC=CC=C2C=C1 MC445191 [0,2,0,0,0,0|1,0,0]=3 425 B15R2.4778 COC1=C(O)C2=CC=C(Cl)C=C2N=C1 MC431763 [0,2,0,0,0,0|2,0,0]=4 426 B15R2.19973 CNC1=CC(C)=C2N=CC=CC2=C1N MC111439 [0,2,0,0,0,0|1,0,0]=3 427 B15R2.1290 CCOC1=CC=C2N=CN=C(Cl)C2=C1 CS22774 [0,2,0,0,0,0|1,0,0]=3 428 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 MC33372 [0,2,0,0,0,0|2,0,0]=4 429 B15R2.1668 CC(=O)NC1=CC=C2N=CC=CC2=C1 MC106797 [0,2,0,0,0,0|1,0,0]=3 430 B15R2.1668 CC(=O)OC1=CC=C2N=CC=CC2=C1 MC106776 [0,2,0,0,0,0|0,0,0]=2 431 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 MC431732 [0,2,0,0,0,0|1,0,0]=3 432 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 CS10766 [0,2,0,0,0,0|1,0,1]=4 433 B15R2.4776 COC1=CC=C2C=CC(C#N)=CC2=C1 MC445697 [0,2,0,0,0,0|1,0,0]=3 434 B15R2.4776 COC1=CC=C2C=CC(OC)=CC2=C1 MC10460 [0,2,0,0,0,0|1,0,0]=3 435 B15R2.4807 COC1=NC2=C(Br)C(F)=CN=C2C=C1 MC113816 [0,2,0,0,0,0|1,0,0]=3 436 B15R2.7174 O=[N+]([O-])C1=CC=C2N=CC(Br)=CC2=C1 MC105721 [0,2,0,0,0,0|2,0,0]=4 437 B15R2.21336 COC1=CC=C2N=C(Cl)C(Cl)=NC2=C1 MC426005 [0,2,0,0,0,0|1,0,0]=3 438 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 MC443259 [0,2,0,0,0,0|1,0,1]=4 439 B15R2.89396 COC1=CC=C2C(Cl)=CC(Cl)=NC2=C1 MC107837 [0,2,0,0,0,0|2,0,0]=4 440 B15R2.2393 COC1=C(Cl)C=C2N=CN=C(Cl)C2=C1 CS16553 [0,2,0,0,0,0|1,0,0]=3 441 B15R2.2393 COC1=C(Cl)C=C2N=CNC(=O)C2=C1 CS18082 [0,2,0,0,0,0|1,0,0]=3 442 B15R2.2393 COC1=C(F)C=C2N=CC=C(N)C2=C1 MC432256 [0,2,0,0,0,0|0,0,0]=2 443 B15R2.2393 COC1=C(F)C=C2N=CN=C(Cl)C2=C1 MC103915 [0,2,0,0,0,0|1,0,0]=3 444 B15R2.2393 COC1=C(F)C=C2NC=NC(=O)C2=C1 MC103916 [0,2,0,0,0,0|1,0,1]=4 445 B15R2.2393 COC1=C(O)C=C2N=CC=C(Cl)C2=C1 CS13109 [0,2,0,0,0,0|0,0,0]=2 446 B15R2.21329 COC1=CC=C2N=C(Cl)C=C(Cl)C2=N1 CS17022 [0,2,0,0,0,0|1,0,0]=3 447 B15R2.21329 COC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 CS21088 [0,2,0,0,0,0|1,0,0]=3 448 B15R2.21329 COC1=CC=C2N=C(O)C=C(O)C2=C1 CS18728 [0,2,0,0,0,0|0,0,0]=2 449 B15R2.21329 COC1=CC=C2N=C(O)N=C(O)C2=C1 MC110659 [0,2,0,0,0,0|1,0,0]=3 450 B15R2.21329 COC1=CC=C2NC(=O)OC(=O)C2=C1 MC433923 [0,2,0,0,0,0|1,0,1]=4 451 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 CS12357 [0,2,0,0,0,0|2,0,0]=4 452 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 MC428178 [0,2,0,0,0,0|2,0,0]=4 453 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 MC428179 [0,2,0,0,0,0|2,0,0]=4 454 B15R2.7180 CC1=NC2=CC=C(C(=O)O)C=C2C=C1 CS21684 [0,2,0,0,0,0|2,0,0]=4 455 B15R2.7180 CN(C)C1=CC2=CC=C(Br)C=C2C=C1 MC106996 [0,2,0,0,0,0|2,0,0]=4 456 B15R2.7180 NC1=NC2=CC=C(C(=O)O)C=C2C=C1 MC106806 [0,2,0,0,0,0|2,0,0]=4 457 B15R2.7180 O=C(O)C1=CC=C2N=C(Cl)C=CC2=C1 CS12217 [0,2,0,0,0,0|2,0,0]=4 458 B15R2.7180 O=[N+]([O-])C1=CC=C2N=C(Cl)C=CC2=C1 CS12112 [0,2,0,0,0,0|2,0,0]=4 459 B15R2.14951 O=[N+]([O-])C1=CC(Br)=C2N=CC=CC2=C1 MC107094 [0,2,0,0,0,0|2,0,0]=4 460 B15R2.14951 OB(O)C1=CC(F)=C2N=CC=CC2=C1 MC113645 [0,2,0,0,0,0|2,0,0]=4 461 B15R2.117 COC1=CC2=CC=CC=C2C=C1C=O MC425433 [0,2,0,0,0,0|1,0,0]=3 462 B15R2.2310 COC1=CC=C2C(C#N)=CC=NC2=C1 MC425085 [0,2,0,0,0,0|2,0,0]=4 463 B15R2.4780 COC1=CC=C2C=C(C=O)C=CC2=C1 CS10089 [0,2,0,0,0,0|1,0,0]=3 464 B13R2.611 COC1=C2C=CNC2=C(Br)C=C1 CS10793 [0,0,1,1,0,0|2,0,0]=4 465 B13R2.611 COC1=C2NC=CC2=C(Br)C=C1 CS15095 [0,0,1,1,0,0|2,0,0]=4 466 B13R2.611 COC1=CC=C(Br)C2=C1OC=C2 MC441287 [0,0,1,1,0,0|2,0,0]=4 467 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [0,0,1,0,1,0|1,0,1]=4 468 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [0,0,1,0,1,0|2,0,0]=4 469 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [0,0,1,0,1,0|2,0,0]=4 470 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [0,0,1,0,1,0|2,0,0]=4 471 B11R2.1 BrC1=CNC2=NC=CC=C12 MC427497 [1,0,0,0,1,0|2,0,0]=4 472 B11R2.1 BrC1=CSC2=NC=CC=C12 CS15651 [1,0,0,0,1,0|2,0,0]=4 473 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,0,1,0|1,0,1]=4 474 B11R2.1 CC1=CNC2=C1C=NC=N2 CS17951 [1,0,0,0,1,0|2,0,0]=4 475 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,0,0,0,1,0|2,0,0]=4 476 B11R2.1 CC1=CNC2=NC=CC=C12 CS22368 [1,0,0,0,1,0|1,0,0]=3 477 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,0,0,0,1,0|2,0,0]=4 478 B11R2.1 CC1=NNC2=NC=CC=C12 CS20725 [1,0,0,0,1,0|2,0,0]=4 479 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,0,0,0,1,0|2,0,0]=4 480 B11R2.1 CN1C=NC2=NC=CC=C21 MC105725 [1,0,0,0,1,0|2,0,0]=4 481 B11R2.1 IC1=CNC2=NC=CC=C12 MC444281 [1,0,0,0,1,0|2,0,0]=4 482 B11R2.10 CC1=CC2=C(N=CN=C2)N1 MC444432 [1,0,0,0,1,0|2,0,0]=4 483 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [1,0,0,0,1,0|1,0,1]=4 484 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [1,0,0,0,1,0|2,0,0]=4 485 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [1,0,0,0,1,0|1,0,0]=3 486 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [1,0,0,0,1,0|1,0,0]=3 487 B11R2.10 CC1=NC2=NC=CC=C2N1 CS21659 [1,0,0,0,1,0|2,0,0]=4 488 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [1,0,0,0,1,0|2,0,0]=4 489 B11R2.10 IC1=CC2=CC=CN=C2N1 CS15616 [1,0,0,0,1,0|2,0,0]=4 490 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 CS14721 [1,0,0,0,1,0|2,0,0]=4 491 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 CS10619 [1,0,0,0,1,0|2,0,0]=4 492 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 MC41758 [1,0,0,0,1,0|2,0,0]=4 493 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 CS10670 [1,0,0,0,1,0|2,0,0]=4 494 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 MC20420 [1,0,0,0,1,0|2,0,0]=4 495 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 MC115957 [1,0,0,0,1,0|2,0,0]=4 496 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 CS12830 [1,0,0,0,1,0|2,0,0]=4 497 B11R2.36 BrC1=CC2=CC=NN2C=C1 MC103546 [1,0,0,0,1,0|2,0,0]=4 498 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS22089 [1,0,0,0,1,0|2,0,0]=4 499 B11R2.36 BrC1=CC=C2NC=CC2=C1 CS17784 [1,0,0,0,1,0|1,0,1]=4 500 B11R2.36 BrC1=CN2C=CN=C2C=C1 CS15298 [1,0,0,0,1,0|2,0,0]=4 501 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MC441161 [1,0,0,0,1,0|1,0,0]=3 502 B11R2.36 CC1=CC2=C(C=C1)OC=N2 MC425792 [1,0,0,0,1,0|2,0,0]=4 503 B11R2.36 CC1=CC2=C(C=CS2)C=C1 MC441147 [1,0,0,0,1,0|1,0,0]=3 504 B11R2.36 CC1=CC=C2C=CCC2=C1 MC446782 [1,0,0,0,1,0|0,0,1]=3 505 B11R2.36 CC1=CC=C2C=CNC2=N1 CS10731 [1,0,0,0,1,0|2,0,0]=4 506 B11R2.36 CC1=CC=C2NC=CC2=C1 CS11033 [1,0,0,0,1,0|0,0,1]=3 507 B11R2.36 CC1=CC=C2NN=CC2=C1 MC425397 [1,0,0,0,1,0|1,0,1]=4 508 B11R2.36 CC1=CN2C=CN=C2C=N1 MC107248 [1,0,0,0,1,0|2,0,0]=4 509 B11R2.36 CC1=CN=C2NC=CC2=C1 CS10438 [1,0,0,0,1,0|1,0,1]=4 510 B11R2.36 CC1=NC=C2C=CNC2=C1 MC105009 [1,0,0,0,1,0|2,0,0]=4 511 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 MC443515 [1,0,0,0,1,0|2,0,0]=4 512 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 MC31093 [1,0,0,0,1,0|2,0,0]=4 513 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 MC441158 [1,0,0,0,1,0|2,0,0]=4 514 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 CS20641 [1,0,0,0,1,0|2,0,0]=4 515 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 MC441280 [1,0,0,0,1,0|2,0,0]=4 516 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 MC441268 [1,0,0,0,1,0|2,0,0]=4 517 B11R2.36 ClC1=CC2=CON=C2C=C1 MC30332 [1,0,0,0,1,0|2,0,0]=4 518 B11R2.36 ClC1=CC=C2C=CNC2=C1 CS22097 [1,0,0,0,1,0|2,0,0]=4 519 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS22049 [1,0,0,0,1,0|1,0,1]=4 520 B11R2.36 ClC1=CN2C=CN=C2C=C1 CS10686 [1,0,0,0,1,0|2,0,0]=4 521 B11R2.36 FC1=CC2=C(C=C1)N=CS2 MC31026 [1,0,0,0,1,0|2,0,0]=4 522 B11R2.36 FC1=CC2=C(C=C1)OC=C2 MC441159 [1,0,0,0,1,0|2,0,0]=4 523 B11R2.36 FC1=CC2=C(C=CS2)C=C1 MC113470 [1,0,0,0,1,0|2,0,0]=4 524 B11R2.36 FC1=CC=C2C=CNC2=C1 MC31140 [1,0,0,0,1,0|2,0,0]=4 525 B11R2.36 FC1=CC=C2CC=CC2=C1 MC446777 [1,0,0,0,1,0|1,0,1]=4 526 B11R2.36 FC1=CC=C2NC=CC2=C1 CS22058 [1,0,0,0,1,0|1,0,1]=4 527 B11R2.36 FC1=CN2C=CN=C2C=C1 CS14014 [1,0,0,0,1,0|2,0,0]=4 528 B11R2.36 IC1=CC=C2C=CNC2=C1 CS13433 [1,0,0,0,1,0|2,0,0]=4 529 B11R2.36 IC1=CN2C=CN=C2C=C1 CS13667 [1,0,0,0,1,0|2,0,0]=4 530 B11R2.36 NC1=CC2=C(C=C1)N=CN2 MC41743 [1,0,0,0,1,0|2,0,0]=4 531 B11R2.36 NC1=CC2=C(C=C1)N=CO2 CS20506 [1,0,0,0,1,0|2,0,0]=4 532 B11R2.36 NC1=CC2=C(C=C1)N=CS2 CS14835 [1,0,0,0,1,0|2,0,0]=4 533 B11R2.36 NC1=CC2=C(C=CS2)C=C1 MC443212 [1,0,0,0,1,0|2,0,0]=4 534 B11R2.36 NC1=CC2=CC=NN2C=C1 MC425560 [1,0,0,0,1,0|2,0,0]=4 535 B11R2.36 NC1=CC=C2NC=CC2=C1 CS20917 [1,0,0,0,1,0|1,0,1]=4 536 B11R2.36 NC1=CN2C=CN=C2C=C1 CS17744 [1,0,0,0,1,0|2,0,0]=4 537 B11R2.36 OC1=CC2=C(C=C1)C=NO2 CS12459 [1,0,0,0,1,0|2,0,0]=4 538 B11R2.36 OC1=CC2=C(C=C1)N=CS2 CS10613 [1,0,0,0,1,0|1,0,0]=3 539 B11R2.36 OC1=CC2=C(C=C1)OC=C2 MC443249 [1,0,0,0,1,0|1,0,0]=3 540 B11R2.36 OC1=CC2=C(C=C1)SC=C2 MC111398 [1,0,0,0,1,0|1,0,0]=3 541 B11R2.36 OC1=CC2=C(C=C1)SC=N2 MC427507 [1,0,0,0,1,0|2,0,0]=4 542 B11R2.36 OC1=CC2=C(C=CO2)C=C1 CS20605 [1,0,0,0,1,0|1,0,0]=3 543 B11R2.36 OC1=CC2=C(C=CS2)C=C1 MC441864 [1,0,0,0,1,0|1,0,0]=3 544 B11R2.36 OC1=CC2=NC=NN2C=C1 MC111619 [1,0,0,0,1,0|2,0,0]=4 545 B11R2.36 OC1=CC=C2C=CNC2=N1 CS14689 [1,0,0,0,1,0|2,0,0]=4 546 B11R2.36 OC1=CC=C2C=NNC2=C1 CS20712 [1,0,0,0,1,0|2,0,0]=4 547 B11R2.36 OC1=CC=C2NC=CC2=C1 CS20861 [1,0,0,0,1,0|0,0,1]=3 548 B11R2.36 OC1=CC=C2NC=CC2=N1 CS12531 [1,0,0,0,1,0|1,0,1]=4 549 B11R2.36 OC1=CC=C2NN=CC2=C1 CS20711 [1,0,0,0,1,0|1,0,1]=4 550 B11R2.36 OC1=CN=C2C=CSC2=C1 CS12905 [1,0,0,0,1,0|2,0,0]=4 551 B11R2.36 OC1=CN=C2NC=CC2=C1 CS18571 [1,0,0,0,1,0|1,0,1]=4 552 B11R2.36 OC1=NN2C=CN=C2C=C1 CS12467 [1,0,0,0,1,0|2,0,0]=4 553 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [0,0,1,0,0,1|2,0,0]=4