0 B11R1.41 N#CC1=CC=CC=C1OCC AK158954 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 O=CC1=CC=CC=C1OCC AK156421 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.4 COCC1=NC=CN=C1Cl AK-52707 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.4 NC1=NC=CN=C1NCC AK-23940 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 NC1=NC=CN=C1OCC AK-23934 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.20 CCC1=C(OC)N=CC=N1 AK-61723 [1,0,0,0,0,0|0,0,0]=1 9 B10R1.20 CNC1=NC=CC=C1CO AK-34687 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.20 COC1=CC=CC=C1OC AK-48587 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.20 COC1=CC=CN=C1OC AK-43966 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.20 COC1=CN=CN=C1OC AK340266 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.20 COC1=NC=CC=C1CBr AK-99893 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.20 COC1=NC=CC=C1CN AK133079 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.20 ClCC1=NC=CN=C1CCl AK120649 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.20 NCC1=CC=CN=C1OC AK-49721 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.20 NCC1=NC=CC=C1OC AK142747 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.20 O=CC1=C(OC)N=CC=C1 AK-36180 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.20 OCC1=CC=CC=C1CC AK153193 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 OCC1=CC=CN=C1OC AK-46985 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.20 OCC1=NC=CC=C1OC AK-35452 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.75 COC1=NC=CN=C1CC(C)C AK116596 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.75 O=CC1=C(OC(C)C)N=CC=C1 AK154317 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.77 CCC(C)C1=C(OC)N=CC=N1 AK-89666 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.112 COC1=CC(Br)=CN=C1OCC AK132478 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.121 COC1=C(OCCBr)C=CC=C1 AK-89644 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.121 COC1=C(OCCN)C=CC=C1 AK-50535 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.169 CCOC1=CC=CC=C1OCC AK-94234 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.283 O=C(O)C1=NC=CC=C1OCC AK-76063 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.283 OB(C1=CC=CN=C1OCC)O AK-44823 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.41 C1COC2=C(CN1)C=CC=C2 AK-90077 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.41 N1CCCCC2=C1C=CC=C2 AK-21952 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-32488 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-43439 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AK-54431 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.8 C1=CC=NN=C1OCC AK-50551 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.8 CCCC1=NC=CN=C1 AK305719 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 CCNC1=CC=CN=C1 AK126739 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 CCNC1=NC=CN=C1 AK159718 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 BrC1=CC=CN=C1OC AK-33153 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 C1=C(I)C(=NC=C1)OC AK-25295 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 CC1=CC=CC=C1CC AK-49977 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.15 CC1=CC=CN=C1CCl AK-77025 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 CC1=CC=CN=C1OC AK126197 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 CC1=NC=CN=C1CC AK114356 [2,0,0,0,0,0|0,0,0]=2 58 B9R1.15 CCC1=C(Cl)N=CC=N1 AK-54851 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.15 CCC1=NC=CC=C1Br AK128590 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 CNC1=NC=CN=C1N AK-23939 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 COC1=C(Br)N=CC=N1 AK-37282 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.15 COC1=C(C)N=CC=N1 AK-29085 [2,0,0,0,0,0|0,0,0]=2 63 B9R1.15 COC1=CC=CN=C1Br AK-29048 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 COC1=CC=CN=C1F AK-63160 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 COC1=NC=CC=C1Cl AK-33154 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 COC1=NC=CC=C1F AK-33314 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 COC1=NC=CN=C1I AK-94547 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.15 CSC1=NC=CN=C1C AK-53396 [2,0,0,0,0,0|0,1,0]=3 69 B9R1.15 ClC1=NC=CN=C1CCl AK-37298 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 ClC1=NC=CN=C1OC AK-25926 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.15 NC1=CC=CN=C1OC AK-28363 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 NC1=NC=CC=C1OC AK-25256 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 NC1=NC=CN=C1CC AK-30572 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.15 NC1=NC=CN=C1OC AK-23933 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 NCC1=NC=CC=C1C AK122548 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 NCC1=NC=CN=C1Cl AK-42166 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.15 NCC1=NC=CN=C1Cl AK-64298 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 O=C1C(CC)=NC=CN1 AK198883 [2,0,0,0,0,0|0,0,2]=4 79 B9R1.15 OC1=CC=CN=C1CN AK-82086 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 OC1=CC=CN=C1OC AK261041 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 OCC1=C(Cl)N=CC=N1 AK-39229 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.81 CCOC1=C(F)C=C(N)C=N1 AK100185 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.81 NC1=CC(Br)=CN=C1OCC AK-39617 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.86 CC(C)CC1=NC=CN=C1C AK-59003 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.86 CC(OC1=NC=CC=C1Br)C AK127008 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.182 CCOC1=NC(Br)=CN=C1N AK-23943 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.182 NC1=NC=C(N=C1NCC)Br AK-23953 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.222 CCC(C1=NC=CC=C1C)N AK670798 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.222 COC(=O)C1=C(C)N=CC=N1 AK-97091 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.37 BrC1=CN=C(C(=N1)OC)OC AK-39750 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.37 COC1=CC(Br)=CN=C1OC AK-82785 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.37 COC1=CC=C(Br)C=C1CC AK152700 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.37 COC1=NC=C(F)C=C1CO AK-36653 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.37 NCC1=CC=C(Br)N=C1OC AK138583 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.37 NCC1=CC=C(Br)N=C1OC AK687509 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.37 OCC1=CC=C(Br)N=C1OC AK138582 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.53 CCC1=C(N=CC=N1)C(C)=O AK-89658 [1,1,0,0,0,0|0,0,1]=3 98 B11R1.53 COC1=C(N=CC=N1)C(O)=O AK102764 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.53 COC1=CC=CN=C1C(C)=O AK-80679 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.53 COC1=NC=CC=C1C(C)=O AK110016 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.53 COC1=NC=CN=C1C(C)C AK116762 [1,1,0,0,0,0|0,0,0]=2 102 B13R1.589 CC(C1=CC=CN=C1OC(C)C)=O AK542358 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.1248 CCOC1=C(OCC)C=C(N)C=C1 AK-81898 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.485 C(C)OC1=C(OCCBr)C=CC=C1 AK-49125 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.485 CCOC1=CC=CC=C1OCCN AK140441 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.485 CCOC1=CC=CC=C1OCCO AK481508 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.199 C[N]1C=CN=C1C(=O)OCC AK-34590 [0,0,1,1,0,0|2,0,0]=4 108 B11R2.20 C12=NC=CC=C1OCCO2 AK-31936 [1,0,0,1,0,0|2,0,0]=4 109 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [1,0,0,1,0,0|0,0,0]=2 113 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.5252 NC1C2=CC=CC=C2OCCC1 AK544241 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.57 NCC1CCC2=C(O1)C=CC=C2 AK552036 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.57 NC[C@H]1CCC2=C(O1)C=CC=C2 AK130937 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.33 CCOC1=C(C)N=CO1 AK-51318 [1,0,0,0,1,0|1,0,0]=3