0 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 CS20692 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.32 CSC1=CN2C=CC=CC2=C1 MC442361 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 MC31173 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.32 CSC1=NC2=NC=CC=C2O1 CS17165 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 CS20901 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,0,0,0,0,0|2,0,1]=3 9 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 CS20895 [0,0,0,0,0,0|2,1,1]=4 10 B12R2.32 ClCC1=NC2=CC=CN=C2O1 MC443743 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,0,0,0,0,0|1,0,1]=2 12 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [0,0,0,0,0,0|1,1,1]=3 13 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [0,0,0,0,0,0|2,0,1]=3 14 B12R2.32 N#CC1=NC2=C(C=CC=C2)N1 MC107181 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,0,0,0,0,0|1,0,1]=2 16 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS14446 [0,0,0,0,0,0|3,0,1]=4 17 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS20888 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 MC425570 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 MC425757 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,0,0,0,0,0|0,1,0]=1 21 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,0,0,0,0,0|1,0,0]=1 22 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [0,0,0,0,0,0|2,0,0]=2 23 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [0,0,0,0,0,0|1,1,0]=2 24 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,0,0,0,0,0|1,0,0]=1 25 B12R2.32 O=CC1=CN2C=CN=CC2=N1 MC100038 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,0,0,0,0,0|2,0,0]=2 27 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,0,0,0,0,0|1,0,2]=3 28 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [0,0,0,0,0,0|2,0,2]=4 29 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,0,0,0,0,0|0,0,4]=4 30 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.10 BrC1=CN2C=CC=CC2=N1 CS12525 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 MC442524 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 CS14031 [1,0,0,0,0,0|2,1,0]=4 35 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [1,0,0,0,0,0|2,0,1]=4 36 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [1,0,0,0,0,0|1,0,1]=3 37 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [1,0,0,0,0,0|1,0,1]=3 38 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [1,0,0,0,0,0|2,0,1]=4 39 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [1,0,0,0,0,0|2,0,1]=4 40 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.10 CC1=CN2C=CC=CC2=N1 CS21691 [1,0,0,0,0,0|2,0,1]=4 42 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [1,0,0,0,0,0|1,0,1]=3 44 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [1,0,0,0,0,0|1,1,1]=4 45 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [1,0,0,0,0,0|2,0,1]=4 46 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [1,0,0,0,0,0|2,0,0]=3 47 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 MC31172 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 CS20002 [1,0,0,0,0,0|2,1,0]=4 50 B11R2.10 ClC1=NC2=CC=CN=C2O1 MC442529 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.10 ClC1=NC2=NC=CC=C2O1 MC115944 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.10 ClC1=NN2C=CC=CC2=C1 CS17263 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.10 IC1=CC2=CC=CN=C2N1 CS15616 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [1,0,0,0,0,0|1,1,0]=3 55 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [1,0,0,0,0,0|2,0,0]=3 57 B11R2.10 NC1=NC2=C(C=CC=C2)S1 MC41744 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS16592 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.10 NC1=NC2=C(C=NC=C2)O1 MC443260 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.10 NC1=NC2=CC=CN=C2O1 MC113797 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.10 NC1=NC2=CC=CN=C2O1 MC442528 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [1,0,0,0,0,0|0,0,1]=2 63 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [1,0,0,0,0,0|1,0,1]=3 64 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [1,0,0,0,0,0|1,0,1]=3 65 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [1,0,0,0,0,0|2,0,1]=4 66 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [1,0,0,0,0,0|1,0,1]=3 67 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [1,0,0,0,0,0|2,0,1]=4 68 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [1,0,0,0,0,0|1,0,0]=2 69 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [1,0,0,0,0,0|2,0,0]=3 71 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [1,0,0,0,0,0|1,0,0]=2 72 B11R2.10 OC1=CN2C=CC=CC2=N1 CS15598 [1,0,0,0,0,0|2,0,1]=4 73 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [1,0,0,0,0,0|2,0,1]=4 74 B11R2.10 OC1=NN2C=CC=CC2=C1 MC106909 [1,0,0,0,0,0|2,0,1]=4 75 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [1,0,0,0,0,0|2,1,0]=4 76 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [1,0,0,0,0,0|1,1,0]=3 77 B13R2.26 CNCC1=NC2=C(C=CC=C2)O1 CS17984 [0,1,0,0,0,0|2,0,1]=4 78 B13R2.43 BrCC1=CC2=C(C=CC(Br)=C2)O1 MC427521 [0,1,0,0,0,0|1,0,1]=3 79 B13R2.43 CC1=CC=C2NC(C#N)=CC2=C1 MC107565 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.43 CCC1=CC2=C(C=CC(Br)=C2)O1 CS16990 [0,1,0,0,0,0|1,0,1]=3 81 B13R2.43 CCC1=NC2=C(C=CC(Br)=C2)O1 CS13679 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.43 N#CC1=CC2=C(C=CC(Br)=C2)S1 MC442838 [0,1,0,0,0,0|1,1,1]=4 83 B13R2.43 N#CC1=CC2=CC(Br)=CC=C2N1 CS16885 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.43 NCC1=CC2=CC(Cl)=CC=C2N1 CS16665 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 MC441100 [0,1,0,0,0,0|0,1,0]=2 86 B13R2.43 O=CC1=CC2=CC=C(Cl)C=C2N1 CS16674 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 MC106940 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)S1 CS14133 [0,1,0,0,0,0|0,1,2]=4 89 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)O1 MC427348 [0,1,0,0,0,0|0,0,2]=3 90 B13R2.45 CC1=C(C#N)SC2=C1C=CC=C2 CS12840 [0,1,0,0,0,0|1,1,1]=4 91 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 MC33348 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 MC425400 [0,1,0,0,0,0|1,0,2]=4 93 B13R2.45 N#CC1=C(O)C2=C(C=CC=C2)S1 MC118157 [0,1,0,0,0,0|1,1,1]=4 94 B13R2.54 ClC1=CC=CC2=C1SC(CBr)=C2 MC106276 [0,1,0,0,0,0|1,1,1]=4 95 B13R2.54 N#CC1=CC2=C(Br)C=CC=C2N1 MC113397 [0,1,0,0,0,0|2,0,1]=4 96 B13R2.54 N#CC1=CC2=C(Cl)C=CC=C2N1 CS16884 [0,1,0,0,0,0|2,0,1]=4 97 B13R2.54 N#CC1=CC2=NC=CC(Cl)=C2O1 MC104019 [0,1,0,0,0,0|2,0,1]=4 98 B13R2.54 OCC1=CC2=C(C=CC=C2Br)O1 MC427210 [0,1,0,0,0,0|0,0,2]=3 99 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,1,0,0,0,0|0,1,0]=2 100 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,1,0,0,0,0|1,0,0]=2 101 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,1,0,0,0,0|1,0,0]=2 103 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,1,0,0,0,0|1,0,2]=4 104 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 CS16659 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,1,0,0,0,0|0,0,0]=1 106 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,1,0,0,0,0|0,1,0]=2 107 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,1,0,0,0,0|1,1,0]=3 109 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 MC105516 [0,1,0,0,0,0|3,0,0]=4 110 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,1,0,0,0,0|1,1,0]=3 113 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,1,0,0,0,0|1,0,0]=2 115 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,1,0,0,0,0|1,1,0]=3 116 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,1,0,0,0,0|1,1,0]=3 118 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 MC441335 [0,1,0,0,0,0|2,1,0]=4 119 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS18408 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 MC443785 [0,1,0,0,0,0|3,0,0]=4 121 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 MC100039 [0,1,0,0,0,0|3,0,0]=4 122 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,1,0,0,0,0|2,0,0]=3 123 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 CS10508 [0,1,0,0,0,0|1,1,0]=3 125 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 CS18273 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 MC104992 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 CS11042 [0,1,0,0,0,0|1,0,2]=4 128 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 MC20135 [0,1,0,0,0,0|1,0,2]=4 129 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 MC440271 [0,1,0,0,0,0|1,1,1]=4 130 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [0,0,1,0,0,0|1,0,2]=4 131 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 MC107111 [0,0,0,0,0,1|2,0,1]=4 132 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 MC113801 [0,0,0,0,0,1|2,0,1]=4 133 B13R2.57 Br[Mg]c1ccc2ccccc2c1 MC121324 [0,0,0,0,0,1|3,0,0]=4 134 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS18943 [0,0,0,0,0,1|2,0,1]=4 135 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [0,0,0,0,0,1|3,0,0]=4 136 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [0,0,0,0,0,1|3,0,0]=4 137 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS10061 [0,0,0,0,0,1|2,0,1]=4 138 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS20903 [0,0,0,0,0,1|2,0,1]=4 139 B13R2.57 ClCc1ccc2ccccc2c1 MC433891 [0,0,0,0,0,1|2,0,1]=4 140 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 CS20395 [0,0,0,0,0,1|2,0,1]=4 141 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 CS12597 [0,0,0,0,0,1|2,0,1]=4 142 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 MC105831 [0,0,0,0,0,1|2,0,1]=4 143 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS18374 [0,0,0,0,0,1|2,0,1]=4 144 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS13970 [0,0,0,0,0,1|3,0,0]=4 145 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 MC107189 [0,0,0,0,0,1|3,0,0]=4 146 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [0,0,0,0,0,1|1,0,0]=2 147 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [0,0,0,0,0,1|1,0,0]=2 148 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS10500 [0,0,0,0,0,1|2,0,0]=3 149 B13R2.57 O=CC1=NC2=CC=CN=C2C=C1 MC111419 [0,0,0,0,0,1|2,0,0]=3 150 B13R2.57 O=CC1=NC2=CN=CC=C2C=C1 MC111421 [0,0,0,0,0,1|2,0,0]=3 151 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 CS13773 [0,0,0,0,0,1|1,0,2]=4 152 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 MC33313 [0,0,0,0,0,1|1,0,2]=4 153 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 CS13361 [0,0,0,0,0,1|1,0,2]=4 154 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 MC10341 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,0,1,0,0,0|1,0,1]=4 156 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [1,0,1,0,0,0|0,0,2]=4 158 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,0,1,0,0,0|2,0,0]=4 159 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,1,0,0,0|1,0,1]=4 160 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,1,0,0,0|2,0,0]=4 161 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,1,0,0,0|1,0,0]=3 162 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,1,0,0,0|1,0,0]=3 163 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,1,0,0,0|1,0,1]=4 164 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,1,0,0,0|1,0,1]=4 165 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,1,0,0,0|1,0,1]=4 166 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,1,0,0,0|1,0,1]=4 167 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,1,0,0,0|0,0,2]=4 168 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [1,0,1,0,0,0|1,0,1]=4 169 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [2,0,0,0,0,0|2,0,0]=4 170 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [2,0,0,0,0,0|1,0,0]=3 171 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [2,0,0,0,0,0|0,0,2]=4 172 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [2,0,0,0,0,0|1,0,1]=4 173 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [2,0,0,0,0,0|0,1,0]=3 174 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [2,0,0,0,0,0|1,1,0]=4 175 B10R2.7 C1=CC2=C(C=CN2)C=N1 CS20237 [2,0,0,0,0,0|2,0,0]=4 176 B10R2.7 C1=CC2=C(C=CS2)C=N1 MC441330 [2,0,0,0,0,0|1,1,0]=4 177 B10R2.7 C1=CC2=CC=CN2C=C1 MC441215 [2,0,0,0,0,0|2,0,0]=4 178 B10R2.7 C1=CC2=CC=NC=C2N1 CS20238 [2,0,0,0,0,0|2,0,0]=4 179 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [2,0,0,0,0,0|1,0,0]=3 180 B10R2.7 C1=CC2=CC=NC=C2S1 CS13198 [2,0,0,0,0,0|1,1,0]=4 181 B10R2.7 C1=CC2=CC=NN2C=C1 MC106678 [2,0,0,0,0,0|2,0,0]=4 182 B10R2.7 C1=CC2=NC=CN2C=C1 CS18927 [2,0,0,0,0,0|2,0,0]=4 183 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [2,0,0,0,0,0|1,0,0]=3 184 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [2,0,0,0,0,0|1,0,0]=3 185 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [2,0,0,0,0,0|2,0,0]=4 186 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [2,0,0,0,0,0|0,0,0]=2 187 B10R2.7 C1=CN=C2C=CNC2=C1 CS20236 [2,0,0,0,0,0|2,0,0]=4 188 B10R2.7 C1=CN=C2C=CSC2=C1 CS14375 [2,0,0,0,0,0|1,1,0]=4 189 B10R2.7 C1=CN=C2NC=CC2=C1 CS10447 [2,0,0,0,0,0|2,0,0]=4 190 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [2,0,0,0,0,0|1,0,0]=3 191 B10R2.7 C1=CN=C2SC=CC2=C1 CS14590 [2,0,0,0,0,0|1,1,0]=4 192 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [0,1,1,0,0,0|0,0,2]=4 193 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [0,1,1,0,0,0|0,0,0]=2 194 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,1,1,0,0,0|1,0,0]=3 195 B12R1.374 O=C\C=C\C1=C(O)C=CC(Cl)=C1 MC111789 [0,1,1,0,0,0|0,0,0]=2 196 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,1,1,0,0,0|1,0,0]=3 197 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,1,0,0,0|0,0,2]=4 198 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,1,0,0,0|0,0,2]=4 199 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,1,0,0,0|0,0,2]=4 200 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 CS22136 [1,1,0,0,0,0|0,1,1]=4 201 B12R2.18 CC1=C(O)C2=NC=CC=C2O1 MC427139 [1,1,0,0,0,0|1,0,1]=4 202 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [1,1,0,0,0,0|1,0,1]=4 203 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [1,1,0,0,0,0|1,0,0]=3 204 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [1,1,0,0,0,0|2,0,0]=4 205 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [1,1,0,0,0,0|1,0,0]=3 206 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [1,1,0,0,0,0|1,0,1]=4 207 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 CS14478 [1,1,0,0,0,0|1,0,1]=4 208 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 MC104017 [1,1,0,0,0,0|1,0,1]=4 209 B12R2.202 CC1=NC2=C(C=CC=C2Br)O1 MC442517 [1,1,0,0,0,0|1,0,1]=4 210 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 CS12799 [1,1,0,0,0,0|1,0,1]=4 211 B12R2.202 ClC1=C2OC(I)=CC2=NC=C1 MC104018 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.202 NC1=CC2=C(C=CC=C2Br)S1 MC104026 [1,1,0,0,0,0|1,1,0]=4 213 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 CS18574 [1,1,0,0,0,0|1,0,1]=4 214 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 CS18158 [1,1,0,0,0,0|1,0,1]=4 215 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS22838 [1,1,0,0,0,0|1,0,1]=4 216 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [1,1,0,0,0,0|1,0,1]=4 217 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [1,1,0,0,0,0|1,0,1]=4 218 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [1,1,0,0,0,0|1,0,1]=4 219 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [1,1,0,0,0,0|1,0,1]=4 220 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 MC31137 [1,1,0,0,0,0|1,1,0]=4 221 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 CS15435 [1,1,0,0,0,0|1,1,0]=4 222 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [1,1,0,0,0,0|1,0,0]=3 223 B12R2.202 O=C1NC2=C(S1)C(Cl)=CC=C2 CS17214 [1,1,0,0,0,0|1,1,0]=4 224 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [1,1,0,0,0,0|0,0,1]=3 225 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 CS11036 [1,1,0,0,0,0|1,0,1]=4 226 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 MC441288 [1,1,0,0,0,0|0,0,1]=3 227 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 MC433913 [1,1,0,0,0,0|1,0,1]=4 228 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 CS11005 [1,1,0,0,0,0|1,0,1]=4 229 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS21722 [1,1,0,0,0,0|1,0,1]=4 230 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 CS12813 [1,1,0,0,0,0|1,0,1]=4 231 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 MC103158 [1,1,0,0,0,0|1,0,1]=4 232 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 CS15359 [1,1,0,0,0,0|1,0,1]=4 233 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [1,1,0,0,0,0|1,0,1]=4 234 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [1,1,0,0,0,0|1,0,1]=4 235 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 CS10011 [1,1,0,0,0,0|1,0,1]=4 236 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 CS10632 [1,1,0,0,0,0|1,0,1]=4 237 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [1,1,0,0,0,0|1,0,1]=4 238 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [1,1,0,0,0,0|1,0,1]=4 239 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 MC442516 [1,1,0,0,0,0|1,0,1]=4 240 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 MC20465 [1,1,0,0,0,0|1,0,1]=4 241 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS16740 [1,1,0,0,0,0|1,0,1]=4 242 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [1,1,0,0,0,0|2,0,0]=4 243 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 MC31128 [1,1,0,0,0,0|2,0,0]=4 244 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 CS13138 [1,1,0,0,0,0|2,0,0]=4 245 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [1,1,0,0,0,0|2,0,0]=4 246 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [1,1,0,0,0,0|2,0,0]=4 247 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [1,1,0,0,0,0|1,0,0]=3 248 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [1,1,0,0,0,0|1,0,1]=4 249 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [1,1,0,0,0,0|1,0,1]=4 250 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [1,1,0,0,0,0|1,0,1]=4 251 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 MC443172 [1,1,0,0,0,0|2,0,0]=4 252 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 MC106736 [1,1,0,0,0,0|2,0,0]=4 253 B12R2.606 O=C1C=C2C=C(Br)N=CC2=N1 MC103537 [1,1,0,0,0,0|2,0,0]=4 254 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [1,1,0,0,0,0|1,0,1]=4 255 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [1,1,0,0,0,0|1,0,1]=4 256 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [1,1,0,0,0,0|1,0,1]=4 257 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [1,1,0,0,0,0|1,0,1]=4 258 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [1,1,0,0,0,0|1,0,1]=4 259 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [1,1,0,0,0,0|1,0,1]=4 260 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [1,1,0,0,0,0|2,0,0]=4 261 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [1,1,0,0,0,0|1,0,0]=3 262 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 CS15336 [1,1,0,0,0,0|1,1,0]=4 263 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [1,1,0,0,0,0|2,0,0]=4 264 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 MC31174 [1,1,0,0,0,0|1,1,0]=4 265 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [1,1,0,0,0,0|2,0,0]=4 266 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [1,1,0,0,0,0|1,1,0]=4 267 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [1,1,0,0,0,0|2,0,0]=4 268 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [1,1,0,0,0,0|1,0,0]=3 269 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 MC445105 [1,1,0,0,0,0|2,0,0]=4 270 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 CS10329 [1,1,0,0,0,0|1,1,0]=4 271 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)O1 CS10298 [1,1,0,0,0,0|1,1,0]=4 272 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 MC442193 [0,1,0,0,1,0|1,1,0]=4 273 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MC442194 [0,1,0,0,1,0|1,1,0]=4 274 B14R2.92 NC1=C2N=CC=CC2=CC=C1C=O MC440081 [0,1,0,0,0,1|2,0,0]=4 275 B14R2.142 O=CC1=CC2=C(Br)C=CC=C2C=C1 MC432432 [0,1,0,0,0,1|1,0,0]=3 276 B14R2.142 O=CC1=CC=C2C=CNC(=O)C2=C1 MC111206 [0,1,0,0,0,1|2,0,0]=4 277 B14R2.142 O=CC1=CC=C2N=CC=C(Cl)C2=C1 CS13111 [0,1,0,0,0,1|2,0,0]=4 278 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [0,1,0,0,0,1|1,0,0]=3 279 B14R2.781 O=C(Cl)C1=CC=C2C=CC=NC2=C1 MC106305 [0,1,0,0,0,1|2,0,0]=4 280 B14R2.781 O=C(Cl)C1=CC=C2C=NC=CC2=C1 MC106031 [0,1,0,0,0,1|2,0,0]=4 281 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,1,0,0,0,1|1,0,0]=3 282 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [0,1,0,0,0,1|1,0,0]=3 283 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [0,1,0,0,0,1|1,0,0]=3 284 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [0,1,0,0,0,1|1,0,0]=3 285 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CS10714 [0,1,0,0,0,1|2,0,0]=4 286 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [0,1,0,0,0,1|1,0,0]=3 287 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS21462 [0,1,0,0,0,1|1,0,0]=3 288 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 CS21460 [0,1,0,0,0,1|2,0,0]=4 289 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 MC442821 [0,1,0,0,0,1|2,0,0]=4 290 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,1,0,0,0,1|0,0,2]=4 291 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,1,0,0,0,1|0,0,2]=4 292 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,1,0,0,0,1|0,0,2]=4 293 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 MC431958 [0,1,0,0,0,1|1,0,0]=3 294 B14R2.1128 O=CC1=C(F)C=C2N=CC=CC2=C1 MC113626 [0,1,0,0,0,1|2,0,0]=4 295 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [0,1,0,0,0,1|1,0,0]=3 296 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl CS11246 [0,1,0,0,0,1|1,0,0]=3 297 B14R2.1801 O=CC1=CC=C2C(=O)NC=CC2=C1 MC111205 [0,1,0,0,0,1|2,0,0]=4 298 B14R2.2332 CC1=NC2=CC=C(C=O)C=C2C=C1 CS21683 [0,1,0,0,0,1|2,0,0]=4 299 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 CS10087 [0,1,0,0,0,1|1,0,0]=3 300 B14R2.106 N#CCC1=CC2=C(C=CC(Br)=C2)O1 MC427522 [0,2,0,0,0,0|1,0,1]=4 301 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 CS21317 [0,2,0,0,0,0|0,0,0]=2 302 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [0,2,0,0,0,0|1,0,0]=3 303 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 MC429622 [0,2,0,0,0,0|0,1,0]=3 304 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,2,0,0,0,0|1,0,0]=3 305 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS13203 [0,2,0,0,0,0|2,0,0]=4 306 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 MC107164 [0,2,0,0,0,0|2,0,0]=4 307 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 MC106657 [0,2,0,0,0,0|1,0,0]=3 308 B14R2.3304 COC1=CC2=C(C=C1)SC(C=O)=C2 CS16049 [0,2,0,0,0,0|0,1,0]=3 309 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [0,2,0,0,0,0|0,0,0]=2 310 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 MC41800 [0,2,0,0,0,0|0,1,0]=3 311 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [0,2,0,0,0,0|0,0,0]=2 312 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [0,2,0,0,0,0|1,0,0]=3 313 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 MC104472 [0,2,0,0,0,0|2,0,0]=4 314 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=N1 MC441321 [0,2,0,0,0,0|1,1,0]=4 315 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,2,0,0,0,0|1,0,0]=3 316 B14R2.4529 CC1=CC=C2NC(C(N)=O)=CC2=C1 MC107564 [0,2,0,0,0,0|1,0,0]=3 317 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 MC104471 [0,2,0,0,0,0|2,0,0]=4 318 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [0,2,0,0,0,0|0,0,0]=2 319 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 MC441038 [0,2,0,0,0,0|0,1,0]=3 320 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [0,2,0,0,0,0|0,0,0]=2 321 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 MC443455 [0,2,0,0,0,0|0,1,0]=3 322 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 CS12323 [0,2,0,0,0,0|2,0,0]=4 323 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [0,2,0,0,0,0|0,0,0]=2 324 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [0,2,0,0,0,0|0,0,0]=2 325 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 MC41760 [0,2,0,0,0,0|0,1,0]=3 326 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [0,2,0,0,0,0|0,0,0]=2 327 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 MC441141 [0,2,0,0,0,0|0,1,0]=3 328 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [0,2,0,0,0,0|0,0,0]=2 329 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 MC41787 [0,2,0,0,0,0|0,1,0]=3 330 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 MC444391 [0,2,0,0,0,0|2,0,0]=4 331 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 MC441323 [0,2,0,0,0,0|1,1,0]=4 332 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 CS15209 [0,2,0,0,0,0|2,0,0]=4 333 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [0,2,0,0,0,0|1,0,0]=3 334 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [0,2,0,0,0,0|1,0,0]=3 335 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 MC103942 [0,2,0,0,0,0|2,0,0]=4 336 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [0,2,0,0,0,0|1,0,0]=3 337 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)N=C2N1 MC444420 [0,2,0,0,0,0|2,0,0]=4 338 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [0,2,0,0,0,0|1,0,0]=3 339 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 MC121106 [0,2,0,0,0,0|2,0,0]=4 340 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,2,0,0,0,0|1,0,0]=3 341 B14R2.4529 O=C(O)C1=CC2=NC(Br)=CC=C2N1 MC104549 [0,2,0,0,0,0|2,0,0]=4 342 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 MC102085 [0,2,0,0,0,0|2,0,0]=4 343 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 MC102042 [0,2,0,0,0,0|2,0,0]=4 344 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 CS10665 [0,2,0,0,0,0|2,0,0]=4 345 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 MC425403 [0,2,0,0,0,0|2,0,0]=4 346 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 MC104507 [0,2,0,0,0,0|1,1,0]=4 347 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 CS15439 [0,2,0,0,0,0|1,1,0]=4 348 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 MC41759 [0,2,0,0,0,0|2,0,0]=4 349 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 MC104505 [0,2,0,0,0,0|1,1,0]=4 350 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 MC101946 [0,2,0,0,0,0|2,0,0]=4 351 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 MC20746 [0,2,0,0,0,0|2,0,0]=4 352 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 MC102046 [0,2,0,0,0,0|2,0,0]=4 353 B14R2.4529 OB(O)C1=CC2=C(C=C(Br)C=C2)O1 MC443341 [0,2,0,0,0,0|1,0,1]=4 354 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)O1 CS16495 [0,2,0,0,0,0|1,0,1]=4 355 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 MC106329 [0,2,0,0,0,0|1,0,1]=4 356 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,2,0,0,0,0|0,0,0]=2 357 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [0,2,0,0,0,0|1,0,0]=3 358 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 MC433155 [0,2,0,0,0,0|0,1,0]=3 359 B14R2.2151 CN1C(C=O)=NC2=C1C=CC=C2Br MC33416 [0,2,0,0,0,0|2,0,0]=4 360 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 MC441057 [0,2,0,0,0,0|0,1,0]=3 361 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 CS12511 [0,2,0,0,0,0|2,0,0]=4 362 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 MC441311 [0,2,0,0,0,0|0,0,0]=2 363 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 MC441142 [0,2,0,0,0,0|0,1,0]=3 364 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 MC431602 [0,2,0,0,0,0|0,0,0]=2 365 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 MC441176 [0,2,0,0,0,0|1,1,0]=4 366 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 MC441316 [0,2,0,0,0,0|0,0,0]=2 367 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 MC441143 [0,2,0,0,0,0|0,1,0]=3 368 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 MC441315 [0,2,0,0,0,0|0,0,0]=2 369 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 MC41767 [0,2,0,0,0,0|0,1,0]=3 370 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 MC441317 [0,2,0,0,0,0|0,0,0]=2 371 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 MC441145 [0,2,0,0,0,0|0,1,0]=3 372 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Br)N1 MC105989 [0,2,0,0,0,0|2,0,0]=4 373 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 MC441333 [0,2,0,0,0,0|1,1,0]=4 374 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 MC444341 [0,2,0,0,0,0|2,0,0]=4 375 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 MC441177 [0,2,0,0,0,0|1,1,0]=4 376 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,2,0,0,0,0|1,0,0]=3 377 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 MC441300 [0,2,0,0,0,0|0,0,0]=2 378 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 MC441298 [0,2,0,0,0,0|0,0,0]=2 379 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 CS16632 [0,2,0,0,0,0|0,1,0]=3 380 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 CS10798 [0,2,0,0,0,0|0,1,0]=3 381 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 MC441144 [0,2,0,0,0,0|0,1,0]=3 382 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 MC30342 [0,2,0,0,0,0|1,0,0]=3 383 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 CS12600 [0,2,0,0,0,0|1,0,0]=3 384 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 MC106623 [0,2,0,0,0,0|1,0,0]=3 385 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2S1 MC441328 [0,2,0,0,0,0|1,1,0]=4 386 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 CS14593 [0,2,0,0,0,0|2,0,0]=4 387 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2Br)S1 MC104506 [0,2,0,0,0,0|1,1,0]=4 388 B14R2.7969 O=C(O)C1=NC2=C(S1)C(Br)=CC=C2 MC104508 [0,2,0,0,0,0|1,1,0]=4 389 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 MC104585 [0,2,0,0,0,0|2,0,0]=4 390 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 MC104587 [0,2,0,0,0,0|2,0,0]=4 391 B14R2.7969 OB(O)C1=CC2=C(C=CC=C2F)O1 MC443478 [0,2,0,0,0,0|1,0,1]=4 392 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)S1 CS20607 [0,2,0,0,0,0|1,1,0]=4 393 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [0,0,1,1,0,0|2,0,0]=4 394 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [0,0,1,1,0,0|2,0,0]=4 395 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [0,0,1,1,0,0|2,0,0]=4 396 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,0,1,1,0,0|2,0,0]=4 397 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,0,1,1,0,0|2,0,0]=4 398 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [0,0,1,1,0,0|2,0,0]=4 399 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [0,0,1,1,0,0|2,0,0]=4 400 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [0,0,1,1,0,0|2,0,0]=4 401 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [0,0,1,1,0,0|2,0,0]=4 402 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [0,0,1,1,0,0|2,0,0]=4 403 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,1,1,0,0|2,0,0]=4 404 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [0,0,1,1,0,0|2,0,0]=4 405 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,1,1,0,0|0,0,2]=4 406 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,1,1,0,0|1,0,1]=4 407 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [0,0,1,1,0,0|1,0,1]=4 408 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [0,0,1,1,0,0|1,0,1]=4 409 B12R2.196 CC1=COC2=C1C=CC=C2Br MC441289 [0,0,1,1,0,0|2,0,0]=4 410 B12R2.196 CN1C=CC2=C1C=CC=C2O CS13327 [0,0,1,1,0,0|2,0,0]=4 411 B12R2.196 O=C1CCC2=C(O)C=CC=C12 CS19922 [0,0,1,1,0,0|0,0,2]=4 412 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [0,0,1,1,0,0|1,0,1]=4 413 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [0,0,1,1,0,0|1,0,1]=4 414 B12R2.196 O=C1NCC2=C(O)C=CC=C12 CS14659 [0,0,1,1,0,0|1,0,1]=4 415 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 CS21397 [0,0,1,1,0,0|2,0,0]=4 416 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 CS19505 [0,0,1,1,0,0|2,0,0]=4 417 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 MC33383 [0,0,1,1,0,0|2,0,0]=4 418 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 CS21421 [0,0,1,1,0,0|2,0,0]=4 419 B12R2.1081 FC1=CC=CC2=CC=CC=C12 MC20582 [0,0,1,1,0,0|2,0,0]=4 420 B12R2.1081 Ic1cccc2ccccc12 MC434036 [0,0,1,1,0,0|2,0,0]=4 421 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 CS11015 [0,0,1,1,0,0|2,0,0]=4 422 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CS20774 [0,0,1,1,0,0|2,0,0]=4 423 B12R2.1081 NC1=CC=CC2=CC=CC=C12 MC41752 [0,0,1,1,0,0|2,0,0]=4 424 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MC30343 [0,0,1,1,0,0|2,0,0]=4 425 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 CS10980 [0,0,1,1,0,0|1,0,0]=3 426 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 CS10979 [0,0,1,1,0,0|2,0,0]=4 427 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CS18546 [0,0,1,1,0,0|1,0,0]=3 428 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CS21522 [0,0,1,1,0,0|2,0,0]=4 429 B12R2.1081 OC1=NC=CC2=CC=CC=C21 CS10978 [0,0,1,1,0,0|2,0,0]=4 430 B12R2.1 O=CC1=C2C=CC=CN2C=N1 CS17748 [0,0,1,1,0,0|2,0,0]=4 431 B12R2.1 O=CC1=CN=C2C=CC=CN12 MC442515 [0,0,1,1,0,0|2,0,0]=4 432 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [0,0,1,1,0,0|2,0,0]=4 433 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [0,0,1,1,0,0|2,0,0]=4 434 B12R2.1 O=CC1=NNC2=CC=CC=C21 CS20713 [0,0,1,1,0,0|2,0,0]=4 435 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CS21474 [0,0,1,1,0,0|2,0,0]=4 436 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [0,0,1,1,0,0|2,0,0]=4 437 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 MC441269 [0,0,1,1,0,0|2,0,0]=4 438 B12R2.44 O=CC1=CC=C2C=CNC2=C1 CS21527 [0,0,1,1,0,0|2,0,0]=4 439 B12R2.44 O=CC1=CC=C2C=CNC2=N1 MC115920 [0,0,1,1,0,0|2,0,0]=4 440 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS21526 [0,0,1,1,0,0|2,0,0]=4 441 B12R2.44 O=CC1=NC=C2OC=CC2=C1 CS14660 [0,0,1,1,0,0|2,0,0]=4 442 B12R2.315 O=CC1=C2C=COC2=CC=C1 MC441168 [0,0,1,1,0,0|2,0,0]=4 443 B12R2.315 O=CC1=C2NC=CC2=CC=C1 CS21528 [0,0,1,1,0,0|2,0,0]=4 444 B12R2.315 O=CC1=C2NC=CC2=CC=N1 MC100336 [0,0,1,1,0,0|2,0,0]=4 445 B12R2.315 O=CC1=CC=CC2=C1C=CN2 CS10984 [0,0,1,1,0,0|2,0,0]=4 446 B12R2.315 O=CC1=CC=CC2=C1C=CS2 MC441866 [0,0,1,1,0,0|2,0,0]=4 447 B12R2.315 O=CC1=CC=CC2=C1SC=C2 MC441865 [0,0,1,1,0,0|2,0,0]=4 448 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,0,1,0,1,0|1,0,1]=4 449 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,1,0,1,0|1,0,1]=4 450 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,0,1,0,1,0|1,0,1]=4