0 B13R1.348 NC(NC(NC1=CC=CC=C1)=N)=N AK155414 [0,1,0,0,0,0|2,0,0]=3 1 B13R2.10 BrC1=CN=C(O1)C2=CC=CC=C2 AK-40252 [0,0,0,1,0,0|3,0,0]=4 2 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 AK123482 [0,0,0,1,0,0|3,0,0]=4 3 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 AK149271 [0,0,0,1,0,0|3,0,0]=4 4 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 AK-42004 [0,0,0,1,0,0|2,0,0]=3 5 B13R2.10 BrC1=NN=C(O1)C2=CC=CC=C2 AK-24511 [0,0,0,1,0,0|2,0,1]=4 6 B13R2.10 CC1=CC(C2=NC=CC=C2)=NN1 AK110420 [0,0,0,1,0,0|3,0,0]=4 7 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AK163292 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 AK-33190 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.10 CC1=NC(C2=NC=CC=C2)=NN1 AK671127 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 AK142366 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.10 ClC1=NN=C(C2=CC=CC=C2)O1 AK138790 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 AK-39960 [0,0,0,1,0,0|1,0,0]=2 13 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 AK-98958 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.10 NC1=CC(C2=CC=CN=C2)=NN1 AK-33371 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 AK477790 [0,0,0,1,0,0|1,0,0]=2 16 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 AK-51481 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.10 NC1=NC(C2=NC=CC=C2)=CS1 AK-34592 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 NC1=NC(C2=NC=CC=C2)=NS1 AK-42138 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 AK-64962 [0,0,0,1,0,0|1,0,2]=4 20 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 AK-41436 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 AK126060 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.10 NC1=NN=C(C2=CC=CC=C2)O1 AK-28609 [0,0,0,1,0,0|1,0,1]=3 23 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 AK-67990 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.10 S=C1NN=C(O1)C2=CC=CC=C2 AK111076 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)N AK-46919 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,0,0,0,1,0|1,0,1]=3 29 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,1,0|2,0,1]=4 31 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.107 O=C(NC(N)=N)C1=CC=NC=C1 AK198961 [0,1,0,0,1,0|1,0,0]=3 38 B14R1.5978 N=C(NC1=CC=CC(Cl)=C1)NC(N)=N AK400160 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.4464 ClC1=CC=C(C(Cl)=C1)\C=N\NC(N)=N AK543344 [0,2,0,0,0,0|0,0,0]=2 40 B12R2.2 C1(=CC=CC=C1)C2=NC=CS2 AK-45808 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.2 C1(C2=CC=CC=C2)=NC=CN1 AK-88712 [1,0,0,1,0,0|1,0,0]=3 42 B12R2.2 C1(C2=CNC=N2)=CC=CN=C1 AK-35428 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.2 C1(C2=NC=CN2)=NC=CC=C1 AK121234 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.2 C1(C2=NNC=C2)=NC=CC=C1 AK-39278 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.2 C1(C2=NNC=N2)=NC=CC=C1 AK125073 [1,0,0,1,0,0|1,0,0]=3 46 B12R2.2 N1(C2=CC=CC=C2)N=CC=N1 AK139751 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.2 N1C=CC(=N1)C2=CC=CC=C2 AK-39279 [1,0,0,1,0,0|1,0,0]=3 48 B12R2.2 N1C=CC=C1C2=CC=CC=C2 AK-84792 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.2 N1N=NC(=N1)C2=CC=CN=C2 AK-44334 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.1081 C1=CC2=C(C(=CN=C2)Br)C=C1 AK-25455 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 AK-29295 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 AK-28809 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.1081 FC1=CN=CC2=C1C=CC=C2 AK340738 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 IC1=CN=CC2=CC=CC=C12 AK-24960 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.1081 NC1=C2C=CC=CC2=NN=C1 AK-80159 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.1081 NC1=CN=CC2=C1C=CC=C2 AK-24246 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 AK-41400 [1,0,0,1,0,0|1,0,1]=4 58 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 AK-24961 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 AK-23692 [0,0,0,1,1,0|2,0,0]=4 60 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 AK-31792 [0,0,0,1,1,0|2,0,0]=4 61 B12R2.24 C1=C(N)N=CC2=CC=CC=C12 AK-27774 [0,0,0,1,1,0|1,0,0]=3 62 B12R2.24 C1=CC2=C(N=C1N)C=CC=C2 AK-26798 [0,0,0,1,1,0|1,0,0]=3 63 B12R2.24 C1=CC=CC2=CC=C(N=C12)Br AK-24234 [0,0,0,1,1,0|2,0,0]=4 64 B12R2.24 C1=CC=CC2=CC=C(N=C12)Cl AK-27768 [0,0,0,1,1,0|2,0,0]=4 65 B12R2.24 C1=NC(=NC2=C1C=CC=C2)Cl AK-27695 [0,0,0,1,1,0|1,0,0]=3 66 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AK-24474 [0,0,0,1,1,0|2,0,0]=4 67 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 AK-47004 [0,0,0,1,1,0|2,0,0]=4 68 B12R2.24 NC1=NC2=C(C=CC=C2)N=C1 AK-30450 [0,0,0,1,1,0|1,0,0]=3 69 B12R2.24 NC1=NC2=CC=CC=C2C=N1 AK-24681 [0,0,0,1,1,0|0,0,0]=2 70 B12R2.24 NC1=NC2=CC=CN=C2C=C1 AK-33784 [0,0,0,1,1,0|2,0,0]=4 71 B12R2.24 NC1=NC2=NC=CC=C2C=C1 AK-60468 [0,0,0,1,1,0|2,0,0]=4 72 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,1,0|1,0,1]=4 73 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [0,0,0,1,1,0|2,0,0]=4 74 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AK-28738 [0,0,0,1,1,0|2,0,0]=4 75 B14R2.21 ClC1=NC(C2=CC=CC=C2)=CN=C1 AK112928 [0,0,0,1,0,1|2,0,0]=4 76 B14R2.21 NC1=CC(C2=CC=CC=C2)=NC=C1 AK-34078 [0,0,0,1,0,1|2,0,0]=4 77 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 AK-41465 [0,0,0,1,0,1|2,0,0]=4 78 B14R2.68 BrC1=CN=C(N=C1)C2=CC=CC=C2 AK-24624 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 AK-49695 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 AK-86199 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.22 NC1=CC(C2=CC=CC(I)=C2)=NN1 AK129178 [0,1,0,1,0,0|1,0,0]=3 82 B14R2.22 NC1=NN=C(C2=CC=CC(C)=C2)S1 AK205969 [0,1,0,1,0,0|1,0,1]=4 83 B14R2.22 NC1=NN=C(C2=CC=CC(Cl)=C2)S1 AK186706 [0,1,0,1,0,0|1,0,1]=4 84 B14R2.300 ClC1=CC=C2[N](N=CC2=C1)C(C)=O AK-32218 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.256 NC1=NC(C2=CC=CC=C2C)=CS1 AK-83401 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.256 NC1=NC(C2=CC=CC=C2Cl)=CS1 AK-51482 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.256 NC1=NN=C(C2=CC=CC=C2C)S1 AK-97439 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.256 NC1=NN=C(C2=CC=CC=C2Cl)S1 AK327000 [0,1,0,1,0,0|1,0,1]=4 89 B14R2.256 O=C1OC(C2=CC=CC=C2F)=NN1 AK-43552 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.781 N=C(C1=CC2=C(C=N1)C=CC=C2)N AK133402 [0,1,0,1,0,0|1,0,0]=3 91 B14R2.781 N=C(C1=NC2=CC=CC=C2C=C1)N AK133401 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 AK-86379 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.20 NC1=NN=C(C2=CC=C(C)C=C2)S1 AK-97357 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.4514 CC1=C([NH]N=C1C2=CC=CC=C2)N AK-36762 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,2,0|2,0,0]=4 96 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,2,0|0,0,1]=3 97 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [0,0,0,0,2,0|0,0,0]=2 98 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,2,0|1,0,1]=4 99 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,0,0,0,2,0|1,0,0]=3 100 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [0,0,0,0,2,0|1,0,0]=3 101 B10R1.18 S=C(N)NC1=NC=CC=C1 AK158972 [0,0,0,0,2,0|2,0,0]=4