0 B11R1.37 BrC1=CN=C(C(=N1)OC)OC AK-39750 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.37 COC1=C(OC)C=C(C)C=C1 AK-48281 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.37 COC1=CC(Br)=CN=C1OC AK-82785 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.37 COC1=CC=C(Br)C=C1CC AK152700 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.37 COC1=NC=C(F)C=C1CO AK-36653 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.37 N#CC1=NC=C(C)N=C1C#N AK167453 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.37 NCC1=CC=C(Br)N=C1OC AK138583 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.37 NCC1=CC=C(Br)N=C1OC AK687509 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.37 OCC1=CC=C(Br)N=C1OC AK138582 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.20 CCC1=C(OC)N=CC=N1 AK-61723 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.20 CNC1=NC=CC=C1CO AK-34687 [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|3,0,0]=4 12 B10R1.20 COC1=NC=CC=C1CBr AK-99893 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.20 COC1=NC=CC=C1CN AK133079 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.20 ClCC1=NC=CN=C1CCl AK120649 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.20 NCC1=CC=CN=C1OC AK-49721 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.20 NCC1=NC=CC=C1OC AK142747 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.20 OCC1=CC=CC=C1CC AK153193 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.20 OCC1=CC=CN=C1OC AK-46985 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.20 OCC1=NC=CC=C1OC AK-35452 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.25 CC1=CC(Br)=CN=C1OC AK-39075 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 AK156211 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.25 CC1=CC=C(OC)C(Br)=N1 AK-59810 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.25 CC1=CC=C(OC)C(Cl)=N1 AK150744 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.25 CC1=CN=C(CBr)C(C)=C1 AK147252 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.25 CC1=CN=C(CCl)C(C)=C1 AK103627 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.25 CC1=CN=C(CO)C(C)=C1 AK102022 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.25 CC1=CN=C(OC)C(Br)=C1 AK-40365 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.25 CC1=CN=C(OC)C(C)=N1 AK-55018 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.25 CC1=CN=C(OC)C(Cl)=C1 AK133238 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.25 CCC1=NC=C(Cl)N=C1Cl AK167678 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.25 NC1=CC(C)=C(OC)N=C1 AK-44782 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.25 OCC1=CC=C(C)C=C1C AK-61593 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.25 OCC1=CC=C(F)N=C1C AK117653 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.30 BrC1=CN=C(C(=N1)OC)N AK-22068 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.30 CC1=CC=C(F)C(OC)=N1 AK-34807 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.30 CC1=CC=C(N)C(OC)=N1 AK-28935 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.30 CC1=CC=C(O)C(CC)=N1 AK-28571 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.30 CC1=NC(C#N)=C(C)N=C1 AK-80653 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.30 CCC1=NC(C)=CC=C1O AK-57887 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.30 COC1=C(C)C=CC(C)=C1 AK-60854 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 COC1=C(Cl)N=CC(Br)=N1 AK103765 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.30 COC1=CC(Br)=CN=C1C AK110292 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.30 COC1=NC(Br)=CN=C1I AK-24222 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.30 COC1=NC(C)=CC=C1Br AK-87081 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.30 NC1=NC=C(C)N=C1OC AK-93223 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.30 NC1=NC=C(N=C1OC)Cl AK-26837 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.30 OC1=CC=C(C)N=C1CC AK-41005 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.46 CC1=CC=C(OC)C(C(C)C)=C1 AK127708 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.112 COC1=CC(Br)=CN=C1OCC AK132478 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.24 BrC1=CC2=C(CCCC2)C=C1 AK105097 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.24 C1=C(O)C=C2C(=C1)CCCC2 AK-47633 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AK-44791 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.24 CC1=CC2=C(CCCC2)C=C1 AK-61038 [0,0,0,1,0,0|2,0,0]=3 54 B12R2.24 CC1=CC=C2C(=C1)CNCC2 AK-27238 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.24 ClC1=NC2=C(CCCC2)C=C1 AK100813 [0,0,0,1,0,0|2,0,0]=3 56 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 AK-27507 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 AK-28329 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.24 NC1=CN=C2CCNCC2=C1 AK-50466 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.24 OC1=CC2=C(N=C1)CCNC2 AK-27500 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.612 CC1=CC=C2C(N)CCC2=C1 AK-60573 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.15 CC1=CC=CC=C1CC AK-49977 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 CC1=CC=CN=C1CCl AK-77025 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 CC1=CC=CN=C1OC AK126197 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 CC1=NC=CN=C1CC AK114356 [2,0,0,0,0,0|0,0,0]=2 65 B9R1.15 CCC1=C(Cl)N=CC=N1 AK-54851 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.15 CCC1=NC=CC=C1Br AK128590 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 CNC1=NC=CN=C1N AK-23939 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 COC1=C(Br)N=CC=N1 AK-37282 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 COC1=C(C)N=CC=N1 AK-29085 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.15 COC1=NC=CN=C1I AK-94547 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 CSC1=NC=CN=C1C AK-53396 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.15 ClC1=NC=CN=C1CCl AK-37298 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 ClC1=NC=CN=C1OC AK-25926 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 NC1=NC=CN=C1CC AK-30572 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 NC1=NC=CN=C1OC AK-23933 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 NCC1=NC=CC=C1C AK122548 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.15 NCC1=NC=CN=C1Cl AK-42166 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 NCC1=NC=CN=C1Cl AK-64298 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 O=C1C(CC)=NC=CN1 AK198883 [2,0,0,0,0,0|1,0,1]=4 80 B9R1.15 OCC1=C(Cl)N=CC=N1 AK-39229 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [2,0,0,0,0,0|0,0,0]=2 89 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 CNC1=NC=C(Br)N=C1 AK136913 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.1 COC1=CN=C(Br)C=N1 AK-24261 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.1 COC1=NC=C(Cl)N=C1 AK-64586 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 CSC1=CN=C(Br)C=N1 AK-47704 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [2,0,0,0,0,0|1,0,0]=3 97 B9R1.1 NC1=NC=C(N=C1)OC AK-24108 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 O=CC1=NC=C(C)N=C1 AK-40389 [2,0,0,0,0,0|1,0,1]=4 100 B9R1.1 OCC1=NC=C(Cl)N=C1 AK-43110 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.69 BrC1=CN=C(C(=C1)C)C AK-55129 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.69 CC1=C(Br)N=C(N)C=N1 AK102607 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.69 CC1=C(Br)N=CC(N)=N1 AK-31830 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.69 CC1=C(C)N=C(Br)C=N1 AK100474 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.69 CC1=C(C)N=C(Cl)C=N1 AK100473 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.69 CC1=CC=C(Br)C(C)=N1 AK-25808 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.69 CC1=CC=C(C)C(N)=N1 AK-29554 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.69 CC1=CC=C(Cl)N=C1C AK121756 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.69 CC1=CN=C(Br)C(C)=C1 AK-41105 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.69 CC1=CN=C(C)C(C)=N1 AK114354 [2,0,0,0,0,0|0,0,0]=2 111 B9R1.69 CC1=CN=C(C)C(Cl)=N1 AK-44807 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.69 CC1=CN=C(Cl)C(C)=N1 AK-32060 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.69 CC1=CN=C(F)C(C)=C1 AK-61470 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.69 CC1=NC(Cl)=CN=C1Cl AK167866 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.69 CC1=NC(I)=C(C)N=C1 AK-80700 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.69 NC1=CC=C(C)N=C1C AK-39495 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.69 NC1=NC(C)=C(C)C=C1 AK130279 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.69 NC1=NC(C)=C(C)N=C1 AK-92908 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.69 NC1=NC(C)=CN=C1C AK-80606 [2,0,0,0,0,0|1,0,0]=3 120 B9R1.69 NC1=NC(C)=CN=C1Cl AK137305 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.69 NC1=NC=C(C)C=C1C AK-68338 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.69 NC1=NC=C(N=C1Br)C AK-24581 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.69 NC1=NC=C(N=C1C)Br AK-24942 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.69 NC1=NC=C(N=C1Cl)C AK-23580 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.69 OC1=CC=C(C)N=C1C AK-28572 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.69 OC1=NC=C(Br)N=C1C AK136185 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.2 BrC1=CC(=CN=C1)CC AK-54800 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.2 CC1=CN=CC(CBr)=C1 AK-56105 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.2 COC1=CN=CC(I)=N1 AK-94548 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.2 ClC1=CN=CC(=N1)NC AK-41779 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.2 ClC1=NC(=CN=C1)OC AK-29172 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.2 ClCC1=CC(=CN=C1)C AK-33495 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.2 NC1=NC(=CN=C1)OC AK-24224 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.2 NCC1=NC(Cl)=CN=C1 AK130178 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.2 OCC1=CN=CC(Br)=N1 AK-68017 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.2 OCC1=NC(Cl)=CN=C1 AK-98157 [2,0,0,0,0,0|2,0,0]=4 144 B11R1.53 CCC1=C(N=CC=N1)C(C)=O AK-89658 [1,1,0,0,0,0|0,0,1]=3 145 B11R1.53 COC1=NC=CN=C1C(C)C AK116762 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.166 N[C@H](C1=CC=C(C)C=C1C)C AK477325 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.277 OCC1=NC(C)=C(C)N=C1C AK-95406 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.167 CC1=NC(C(O)=O)=C(C)N=C1 AK-80652 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.182 CCOC1=NC(Br)=CN=C1N AK-23943 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.182 NC1=NC=C(N=C1NCC)Br AK-23953 [1,1,0,0,0,0|2,0,0]=4 151 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [1,0,0,1,0,0|0,0,0]=2 152 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [1,0,0,1,0,0|2,0,0]=4 153 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [1,0,0,1,0,0|2,0,0]=4 154 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [1,0,0,1,0,0|2,0,0]=4 155 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [1,0,0,1,0,0|2,0,0]=4 156 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [1,0,0,1,0,0|1,0,0]=3 157 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [1,0,0,1,0,0|0,0,0]=2 158 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [1,0,0,1,0,0|2,0,0]=4 159 B11R2.10 BrC1=NC2=C(CCCC2)S1 AK-31371 [0,0,0,1,1,0|2,0,0]=4 160 B11R2.10 CC1=NC2=C(CNCC2)N1 AK-35301 [0,0,0,1,1,0|1,0,1]=4 161 B11R2.10 CC1=NC2=C(CNCC2)N1 AK100827 [0,0,0,1,1,0|1,0,1]=4 162 B11R2.10 CC=1SC2=C(N1)CCNC2 AK-23996 [0,0,0,1,1,0|2,0,0]=4 163 B11R2.10 NC1=CC=2CCCCC2S1 AK126754 [0,0,0,1,1,0|2,0,0]=4 164 B11R2.10 NC1=NC2=C(CCCC2)S1 AK-82739 [0,0,0,1,1,0|2,0,0]=4 165 B13R2.162 NC1CCCC2=C1C=C(C)C=C2 AK172723 [0,1,0,1,0,0|2,0,0]=4 166 B13R2.5179 NC1CCCC2=C1C=CC(C)=C2 AK687515 [0,1,0,1,0,0|2,0,0]=4 167 B13R2.57 NCC1=NC2=C(CCCN2)C=C1 AK-40819 [0,1,0,1,0,0|2,0,0]=4 168 B13R2.328 ClC1=NC2=C(CCCC2)C(Cl)=C1 AK-99954 [0,1,0,1,0,0|2,0,0]=4 169 B13R2.328 OC1=C2CCCCC2=NC(C)=N1 AK137685 [0,1,0,1,0,0|2,0,0]=4 170 B13R2.155 CN1CCC2=C(C1)C=C(C=N2)N AK-27337 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.22 CC1=NN(C)C(CCl)=C1 AK-48543 [1,0,0,0,1,0|2,0,0]=4 172 B9R1.22 OCC1=C(C)N=C(C)S1 AK-32145 [1,0,0,0,1,0|2,0,0]=4 173 B9R1.22 OCC1=CC(C)=NN1C AK112704 [1,0,0,0,1,0|2,0,0]=4 174 B9R1.27 CC1=NOC(C)=C1CCl AK-33949 [1,0,0,0,1,0|2,0,0]=4 175 B9R1.27 CC1=NOC(C)=C1CN AK-33105 [1,0,0,0,1,0|2,0,0]=4