0 B13R2.64 C(N1C=CN=C1)C2=CC=CC=C2 AK-80156 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.64 C1(CC2=CC=CC=C2)=NC=CN1 AK104967 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.64 N1(CC2=CC=CC=C2)CC=CC1 AK-36118 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.19 BrC1=CN(CC2=CC=CC=C2)C=N1 AK129396 [0,1,0,0,0,0|2,0,1]=4 4 B14R2.19 BrC1=CN(CC2=CC=CC=C2)N=C1 AK-61844 [0,1,0,0,0,0|2,0,0]=3 5 B14R2.19 BrC1=C[N](N=C1)CC2=CC=CN=C2 AK-24157 [0,1,0,0,0,0|3,0,0]=4 6 B14R2.19 IC1=CN(CC2=CC=CC=C2)N=C1 AK-35384 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 AK480062 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 AK146249 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.30 BrC1=CN=CN1CC2=CC=CC=C2 AK131384 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.50 BrC1=CC=CC=C1CN2C=CN=C2 AK152273 [0,1,0,0,0,0|2,0,1]=4 11 B14R2.72 BrC1=CC=C(CN2C=CN=C2)C=C1 AK-94882 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.72 C1=NC=C[N]1CC2=CC=C(N)C=C2 AK-21740 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.72 NC1=CC=C(CN2N=CN=C2)C=C1 AK-21743 [0,1,0,0,0,0|1,0,1]=3 14 B14R2.72 S1C=CN=C1OC2=CC=C(C=C2)N AK-22194 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.2 C1(=CC=CC=C1)C2=NC=CS2 AK-45808 [0,0,0,0,1,0|2,0,0]=3 16 B12R2.2 C1(C2=CC=CC=C2)=CC=CS1 AK117454 [0,0,0,0,1,0|2,0,0]=3 17 B12R2.2 C1(C2=CC=CC=C2)=CNN=C1 AK-30224 [0,0,0,0,1,0|2,0,0]=3 18 B12R2.2 C1(C2=CC=CC=C2)=NC=CN1 AK-88712 [0,0,0,0,1,0|2,0,0]=3 19 B12R2.2 C1(C2=CC=CS2)=NC=CC=C1 AK-87680 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.2 C1(C2=CNC=N2)=CC=CN=C1 AK-35428 [0,0,0,0,1,0|1,0,0]=2 21 B12R2.2 C1(C2=NC=CN2)=NC=CC=C1 AK121234 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.2 C1(C2=NNC=C2)=NC=CC=C1 AK-39278 [0,0,0,0,1,0|3,0,0]=4 23 B12R2.2 C1(C2=NNC=N2)=NC=CC=C1 AK125073 [0,0,0,0,1,0|2,0,0]=3 24 B12R2.2 C1(N2N=CC=C2)=NC=CC=C1 AK141969 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.2 C1=NN(C=N1)C2=CC=CC=C2 AK-81493 [0,0,0,0,1,0|1,0,1]=3 26 B12R2.2 N1(C2=CC=CC=C2)C=CN=C1 AK113470 [0,0,0,0,1,0|2,0,1]=4 27 B12R2.2 N1(C2=CC=CC=C2)N=CC=N1 AK139751 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.2 N1C=CC(=N1)C2=CC=CC=C2 AK-39279 [0,0,0,0,1,0|2,0,0]=3 29 B12R2.2 N1C=CC=C1C2=CC=CC=C2 AK-84792 [0,0,0,0,1,0|1,0,1]=3 30 B12R2.2 N1N=NC(=N1)C2=CC=CN=C2 AK-44334 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.2 O1C=NC=C1C2=CC=CC=C2 AK-40844 [0,0,0,0,1,0|1,0,1]=3 32 B14R2.6 C1(CC2=CC=CC=C2)=CC=CN=C1 AK116666 [0,0,0,0,0,1|1,0,0]=2 33 B14R2.6 C1(OC2=CC=CC=C2)=NC=CC=C1 AK-86394 [0,0,0,0,0,1|2,0,0]=3 34 B14R2.6 C1([I+]C2=CC=CC=C2)=CC=CC=C1 AK126347 [0,0,0,0,0,1|3,0,0]=4 35 B14R2.6 C1([I+]C2=CC=CC=C2)=CC=CC=C1 AK325425 [0,0,0,0,0,1|3,0,0]=4 36 B14R2.6 C1([I+]C2=CC=CC=C2)=CC=CC=C1 AK397830 [0,0,0,0,0,1|3,0,0]=4 37 B14R2.6 C1=C(OC2=CC=CC=C2)C=CN=C1 AK-44680 [0,0,0,0,0,1|2,0,1]=4 38 B14R2.6 O(C1=CC=CC=C1)C2=CC=CN=C2 AK-79452 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [1,0,1,0,0,0|0,0,2]=4 41 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,1,0,0,0|1,0,1]=4 42 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C AK-86292 [0,1,1,0,0,0|2,0,0]=4 43 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 AK140036 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.10 BrC1=CN=C(O1)C2=CC=CC=C2 AK-40252 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 AK123482 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 AK149271 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.10 BrC1=C[N](N=C1)C2=CC=CC=C2 AK-47362 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 AK-42004 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.10 BrC1=NC(C2=NC=CC=C2)=CS1 AK-40545 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.10 BrC1=NC=C(O1)C2=CC=CC=C2 AK-33084 [0,1,0,0,1,0|1,0,1]=4 51 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AK163292 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 AK-33190 [0,1,0,0,1,0|0,0,0]=2 53 B13R2.10 CC1=NC(C2=NC=CC=C2)=NN1 AK671127 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 AK139802 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 AK142366 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)O1 AK-78036 [0,1,0,0,1,0|1,0,1]=4 57 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 AK200048 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 AK-39960 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 AK-98958 [0,1,0,0,1,0|2,0,0]=4 60 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 AK477790 [0,1,0,0,1,0|0,0,0]=2 61 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 AK-51481 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.10 NC1=NC(C2=NC=CC=C2)=CS1 AK-34592 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 AK-64962 [0,1,0,0,1,0|0,0,2]=4 64 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 AK-41436 [0,1,0,0,1,0|1,0,1]=4 65 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 AK126060 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 AK-67990 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.10 S=C1NN=C(O1)C2=CC=CC=C2 AK111076 [0,1,0,0,1,0|2,0,0]=4 68 B13R2.10 SC1=NC(C2=CC=NC=C2)=CS1 AK326596 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.12 BrC1=CC=C(C=C1)C2=CC=CS2 AK-35037 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.12 BrC1=CC=C(C=C1)C2=NNC=C2 AK-40559 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.12 BrC1=CC=C(C=C1)C2=NOC=C2 AK-58313 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.12 BrC1=CC=C(C=C1)C2=N[NH]C=N2 AK-32429 [0,1,0,0,1,0|1,0,0]=3 73 B13R2.12 C1=C([N]2N=CC=C2)C=CC(=C1)N AK-21731 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.12 C1=CC(=CC=C1[N]2C=NC=N2)N AK-16331 [0,1,0,0,1,0|1,0,1]=4 75 B13R2.12 FC1=CC=C(C2=CC=CS2)C=C1 AK-49954 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.12 FC1=CC=C(C2=NC=CN2)C=C1 AK112114 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.12 FC1=CC=C(C2=NNC=C2)C=C1 AK-28816 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.12 IC1=CC=C(N2N=CC=C2)C=C1 AK-84500 [0,1,0,0,1,0|2,0,0]=4 79 B13R2.12 NC1=CC=C(C2=CNN=C2)C=C1 AK-30669 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.12 NC1=CC=C(C2=NC=CS2)C=C1 AK-39952 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.12 NC1=CC=C(C=C1)C2=CN=CO2 AK-32648 [0,1,0,0,1,0|1,0,1]=4 82 B13R2.13 BrC1=CC=CC(=C1)C2=NC=CN2 AK-37192 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.15 BrC1=C(C2=CC=CC=C2)OC=N1 AK143279 [0,1,0,0,1,0|1,0,1]=4 84 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 AK-58815 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 AK-33201 [0,1,0,0,1,0|2,0,0]=4 86 B13R2.15 IC1=CC=NN1C2=CC=CC=C2 AK148803 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.15 NC1=CC=NN1C2=CC=CC=C2 AK-45792 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.15 O=C1CC=NN1C2=CC=CC=C2 AK548937 [0,1,0,0,1,0|2,0,0]=4 89 B13R2.15 OC1=CC=NN1C2=CC=CC=C2 AK139794 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.18 BrC1=C(C=CC=C1)C2=NC=CO2 AK-23559 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.18 BrC1=CC=CC=C1C2=NC=CN2 AK-60669 [0,1,0,0,1,0|2,0,0]=4 92 B13R2.18 CC1=CC=CC=C1N2N=CC=C2 AK139748 [0,1,0,0,1,0|2,0,0]=4 93 B13R2.18 NC1=C(C=CC=C1)C2=NC=NN2 AK110003 [0,1,0,0,1,0|1,0,1]=4 94 B15R2.29 BrC1=CN=C(N=C1)OC2=CC=CC=C2 AK-22118 [0,1,0,0,0,1|2,0,0]=4 95 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 AK-90898 [0,1,0,0,0,1|2,0,0]=4 96 B15R2.29 C1=C(CC2=CC=CC=C2)C=CC(=C1)N AK-25302 [0,1,0,0,0,1|2,0,0]=4 97 B15R2.29 N1=CC(=CC=C1)OC2=CC=C(C=C2)N AK-24113 [0,1,0,0,0,1|2,0,0]=4 98 B15R2.31 C1=CC(=CC(=C1)CC2=CC=CC=C2)O AK-27018 [0,1,0,0,0,1|2,0,0]=4 99 B15R2.31 ClC1=CN=CC(NC2=CC=CC=C2)=N1 AK-66288 [0,1,0,0,0,1|1,0,1]=4 100 B15R2.31 O(C1=CC=CC=C1)C2=NC=NC(=C2)Cl AK-24596 [0,1,0,0,0,1|1,0,1]=4 101 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 AK-98687 [0,1,0,0,0,1|2,0,0]=4 102 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 AK-26071 [0,1,0,0,0,1|2,0,0]=4 103 B15R2.2226 NC(C1=CC=CC=C1)C2=NC=CC=C2 AK-32049 [0,1,0,0,0,1|1,0,0]=3 104 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 AK-57171 [0,1,0,0,0,1|1,0,1]=4 105 B15R2.2226 O=C(C1=CC=CC=C1)C2=NC=CC=C2 AK105906 [0,1,0,0,0,1|1,0,1]=4 106 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 AK105897 [0,1,0,0,0,1|2,0,0]=4 107 B15R2.64 N[C@@H](C1=NC=CO1)CC2=CC=CC=C2 AK548191 [0,1,0,0,0,1|2,0,0]=4 108 B15R2.562 OC1=CC=CC=C1CNC2=NC=CS2 AK222489 [0,1,0,0,0,1|2,0,0]=4 109 B15R2.15 C(C1=CC=CC=C1)[N]2C=C(C=N2)C#N AK-24529 [0,2,0,0,0,0|2,0,0]=4 110 B15R2.15 C1=C(C=O)C=N[N]1CC2=CC=CC=C2 AK-28085 [0,2,0,0,0,0|2,0,0]=4 111 B15R2.1109 CC1=C(C)C(CC2=CN=CN2)=CC=C1 AK160349 [0,2,0,0,0,0|0,0,2]=4 112 B15R2.91 O=C(C1=CC=C(Cl)C=C1)C2=CNC=C2 AK384534 [0,2,0,0,0,0|1,0,1]=4 113 B13R2.3 C1(C2=CC=CC=C2)=NC=CC=C1 AK-46559 [0,0,1,1,0,0|1,0,1]=4 114 B13R2.3 C1(C2=CC=CC=C2)=NC=CC=C1 AK110419 [0,0,1,1,0,0|1,0,1]=4 115 B13R2.3 C1(C2=CC=CC=C2)=NC=NC=C1 AK139658 [0,0,1,1,0,0|0,0,2]=4 116 B13R2.3 C1=CC=C(C=C1)C2=CN=CN=C2 AK-34781 [0,0,1,1,0,0|0,0,2]=4 117 B13R2.328 NC1=NC(Cl)=CC2=C1C=CC=C2 AK147558 [0,0,1,1,0,0|1,0,1]=4 118 B13R2.328 NC1=NC(Cl)=NC2=CC=CC=C12 AK-30469 [0,0,1,1,0,0|2,0,0]=4 119 B13R2.328 NC1=NC2=CC=CC=C2C(N)=N1 AK-78965 [0,0,1,1,0,0|2,0,0]=4 120 B13R2.328 OC1=NC(N)=C2C=CC=CC2=N1 AK-24683 [0,0,1,1,0,0|2,0,0]=4 121 B13R2.57 C1=NC(=CC2=C1C=CC=C2)C=O AK-24631 [0,0,1,1,0,0|1,0,1]=4 122 B13R2.57 C1=NC(=CC2=CC=CC=C12)CN AK-39317 [0,0,1,1,0,0|0,0,2]=4 123 B13R2.57 NCC1=CC2=C(C=N1)C=CC=C2 AK162840 [0,0,1,1,0,0|0,0,2]=4 124 B15R3.3 C=12NC3=C(C2=CC=CN1)C=CC=C3 AK134318 [0,0,0,1,0,1|2,0,0]=4 125 B15R3.3 N1C2=C(C=CC=C2)C3=C1C=NC=C3 AK-25655 [0,0,0,1,0,1|2,0,0]=4 126 B15R2.2195 C1(OCC2=CC=CC=C2)=CC=NC=C1 AK140678 [0,0,0,0,0,2|1,0,1]=4 127 B15R2.2195 C1(SCC2=CC=CC=C2)=CC=CC=C1 AK116684 [0,0,0,0,0,2|2,0,0]=4