0 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,0,0|0,0,1]=2 22 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [1,0,0,0,0,0|2,1,0]=4 30 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [1,0,0,0,0,0|2,1,0]=4 31 B12R1.34 O=C(N(OC)C)C1=CC=CC=C1 AK-50042 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,0,0|0,0,2]=3 36 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,0,0|1,0,2]=4 39 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,0,0|1,0,2]=4 40 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,1,0,0,0,0|0,0,0]=1 41 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.50 C=CC(NC1=CC=CC(N)=C1)=O AK319023 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.50 C=CC(NC1=CC=CC(O)=C1)=O AK548287 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.18 BrC1=C(Br)SC2=CC=CC=C21 AK101330 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 AK-28158 [0,0,0,1,0,0|2,0,0]=3 48 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 AK665664 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,0,0,1,0,0|1,0,1]=3 50 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [0,0,0,1,0,0|2,0,0]=3 51 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AK-24554 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 AK-23692 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AK-27162 [0,0,0,1,0,0|2,0,0]=3 54 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 AK-87992 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 AK-49506 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 BrC1=CC=C2C(=C1)C=NC=C2 AK-26157 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 AK-26028 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 AK-31792 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.24 C1=C(Br)C=CC2=C1C=CN=C2 AK-23508 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.24 C1=C(C=C2C(=C1)N=CC=C2)Cl AK-26786 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.24 C1=C(F)C=CC2=C1C=CC=N2 AK-30337 [0,0,0,1,0,0|3,0,0]=4 62 B12R2.24 C1=C(N)C=CC2=C1N=CC=C2 AK-23984 [0,0,0,1,0,0|3,0,0]=4 63 B12R2.24 C1=C(N)N=CC2=CC=CC=C12 AK-27774 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.24 C1=C(O)C=CC2=NC=CC=C12 AK-26149 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.24 C1=C2C(=CC=C1Br)C=CC=C2 AK-35732 [0,0,0,1,0,0|2,0,0]=3 66 B12R2.24 C1=C2C(=NC=C1Cl)C=CC=C2 AK-39638 [0,0,0,1,0,0|2,0,0]=3 67 B12R2.24 C1=C2C(=NC=C1O)C=CC=C2 AK-26151 [0,0,0,1,0,0|2,0,0]=3 68 B12R2.24 C1=CC(=CC2=C1C=CC=N2)Cl AK-39660 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.24 C1=CC2=C(N=C1N)C=CC=C2 AK-26798 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.24 C1=CC=C2C(=N1)C=CC(=C2)Br AK-26082 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.24 C1=CC=CC2=CC=C(N=C12)Br AK-24234 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.24 C1=CC=CC2=CC=C(N=C12)Cl AK-27768 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.24 C1=NC=CC2=CC=C(C=C12)N AK-25639 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [0,0,0,1,0,0|1,0,0]=2 75 B12R2.24 CC1=NC2=NC=CC=C2C=C1 AK-44284 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.24 ClC1=CC2=C(C=C1)C=CN=C2 AK-39352 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.24 ClC1=CC2=C(C=NC=C2)C=C1 AK-35918 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AK-24474 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 ClC1=CN=C2N=CC=CC2=C1 AK-48179 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 AK-47004 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 FC1=CC2=C(C=CN=C2)C=C1 AK-54877 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 FC1=CC2=C(C=NC=C2)C=C1 AK-47714 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 AK110894 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.24 IC1=CC=C2N=CC=CC2=C1 AK-28766 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 NC1=CC=C2C=CC=NC2=C1 AK173105 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 NC1=CC=C2C=NC=CC2=C1 AK-27243 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AK-29433 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 NC1=NC2=C(C=CC=C2)N=C1 AK-30450 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 OC1=CC2=C(C=NC=C2)C=C1 AK-24368 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AK-24768 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AK-28738 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.32 C1=C(C#N)SC2=C1C=CC=C2 AK-29384 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.32 C1=C(OC2=C1C=CC=C2)C#N AK-23549 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,0,0,1,0,0|2,0,1]=4 96 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 AK123403 [0,0,0,1,0,0|2,0,1]=4 97 B12R2.32 NCC=1NC2=C(C1)C=CC=C2 AK-27799 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [0,0,0,1,0,0|1,0,0]=2 99 B12R2.32 O=CC1=CC2=CC=CN=C2S1 AK298904 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.32 O=CC1=NC2=CC=CC=C2N1 AK-25780 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.32 O=CC1=NC2=CC=CC=C2S1 AK-30101 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.32 OCC1=CC2=CC=CC=C2S1 AK-48826 [0,0,0,1,0,0|1,0,2]=4 103 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [0,0,0,1,0,0|1,0,2]=4 104 B12R2.32 S1C(=CC2=C1C=CC=C2)C=O AK-42941 [0,0,0,1,0,0|1,0,0]=2 105 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,0,0,0,1,0|1,0,2]=4 106 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,0,0,0,1,0|1,0,2]=4 107 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,0,0,0,1,0|2,0,1]=4 108 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [0,0,0,0,1,0|2,0,1]=4 109 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,0,0,0,1,0|2,0,1]=4 110 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [0,0,0,0,1,0|1,0,0]=2 112 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,0,0,0,1,0|1,0,2]=4 113 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|2,0,0]=4 115 B11R1.1 O=C\C=C\C1=CC=C(C)C=C1 AK101325 [1,1,0,0,0,0|0,0,0]=2 116 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 AK128976 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [1,1,0,0,0,0|0,0,0]=2 118 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [1,1,0,0,0,0|0,0,0]=2 119 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,1,0,0,0,0|0,0,2]=4 120 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,1,0,0,0,0|0,0,0]=2 121 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,1,0,0,0,0|1,0,1]=4 122 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,1,0,0,0,0|0,0,2]=4 123 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,1,0,0,0,0|0,0,2]=4 124 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [1,1,0,0,0,0|0,0,0]=2 125 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [1,1,0,0,0,0|0,0,2]=4 126 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,1,0,0,0,0|0,0,2]=4 127 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [1,1,0,0,0,0|0,0,0]=2 128 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [1,1,0,0,0,0|0,0,0]=2 133 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AK111240 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [1,1,0,0,0,0|0,0,1]=3 136 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [1,1,0,0,0,0|0,0,0]=2 153 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [1,1,0,0,0,0|0,0,1]=3 167 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [1,1,0,0,0,0|0,0,1]=3 170 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [1,1,0,0,0,0|0,0,1]=3 180 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 AK-41020 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [1,1,0,0,0,0|0,0,1]=3 183 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.157 CC(NC1=NC=CC(Cl)=C1)=O AK-29058 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.157 ClC1=NC=CC(=C1)NC(C)=O AK-28783 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.509 CS(=O)(NC1=CC=CC=C1)=O AK-51764 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [0,1,0,0,1,0|1,0,0]=3 196 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [0,1,0,0,1,0|1,0,0]=3 197 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O AK-10035 [0,1,0,0,1,0|1,0,0]=3 198 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,1,0,0,0,1|1,0,1]=4 199 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,2,0,0,0,0|2,0,0]=4 200 B13R1.152 CC(C(C)C(C1=CC=CC=C1)=O)=O AK-36052 [0,2,0,0,0,0|0,0,1]=3 201 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O AK111064 [0,2,0,0,0,0|1,0,1]=4 202 B13R1.133 C\C([N+]([O-])=O)=C/C1=CC=C(Br)C=C1 AK544509 [0,2,0,0,0,0|1,0,0]=3 203 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O AK-40093 [0,2,0,0,0,0|0,0,2]=4 204 B13R1.1073 CC(OC1=CC=CC=C1)(C)C(O)=O AK-96821 [0,2,0,0,0,0|1,0,1]=4 205 B13R1.1073 O=C(O)C(C)(C)CC1=CC=CC=C1 AK-86266 [0,2,0,0,0,0|0,0,2]=4 206 B11R2.1 BrC1=COC2=C1C=CC=C2 AK-90311 [1,0,0,1,0,0|2,0,0]=4 207 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [1,0,0,1,0,0|2,0,0]=4 208 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [1,0,0,1,0,0|2,0,0]=4 209 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|0,0,2]=4 210 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [1,0,0,1,0,0|1,0,1]=4 211 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,1,0,0|1,0,1]=4 212 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [1,0,0,1,0,0|2,0,0]=4 213 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [1,0,0,1,0,0|2,0,0]=4 214 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [1,0,0,1,0,0|1,0,1]=4 215 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,1,0,0|1,0,1]=4 216 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,1,0,0|1,0,1]=4 217 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [1,0,0,1,0,0|2,0,0]=4 218 B11R2.20 C12=CC=NC=C1N=CC=C2 AK-65141 [1,0,0,1,0,0|2,0,0]=4 219 B11R2.20 C12=CN=CC=C1N=CC=C2 AK-47050 [1,0,0,1,0,0|2,0,0]=4 220 B11R2.20 C12=NC=CC=C1N=CC=C2 AK-39624 [1,0,0,1,0,0|2,0,0]=4 221 B11R2.20 C1=C2C(=NC=C1)N=CC=C2 AK-34374 [1,0,0,1,0,0|2,0,0]=4 222 B11R2.20 C1=C2C(=NC=N1)C=CC=C2 AK-46565 [1,0,0,1,0,0|2,0,0]=4 223 B11R2.20 C1=CC=C2N=NC=CC2=C1 AK-64450 [1,0,0,1,0,0|2,0,0]=4 224 B11R2.20 C1=CC=CC2=NC=CN=C12 AK-51744 [1,0,0,1,0,0|2,0,0]=4 225 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 AK-35557 [1,0,0,1,0,0|1,1,0]=4 226 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [1,0,0,1,0,0|1,0,0]=3 227 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [1,0,0,1,0,0|2,0,0]=4 228 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [1,0,0,1,0,0|1,0,0]=3 229 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [1,0,0,1,0,0|2,0,0]=4 230 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [1,0,0,1,0,0|0,1,0]=3 231 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [1,0,0,1,0,0|0,0,1]=3 232 B11R2.10 CC1=CC2=CC=CN=C2N1 AK-25051 [1,0,0,1,0,0|2,0,0]=4 233 B11R2.10 CC1=NC2=C(S1)C=CC=C2 AK-45781 [1,0,0,1,0,0|1,1,0]=4 234 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [1,0,0,1,0,0|2,0,0]=4 235 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [1,0,0,1,0,0|1,0,1]=4 236 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [1,0,0,1,0,0|2,0,0]=4 237 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [1,0,0,1,0,0|2,0,0]=4 238 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [1,0,0,1,0,0|2,0,0]=4 239 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [1,0,0,1,0,0|1,1,0]=4 240 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [1,0,0,1,0,0|2,0,0]=4 241 B11R2.10 O=C1N=C2C=CC=CN2C1 AK-80162 [1,0,0,1,0,0|2,0,0]=4 242 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [1,0,0,1,0,0|2,0,0]=4 243 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [1,0,0,1,0,0|1,0,0]=3 244 B11R2.10 O=C1NN2C=CC=CC2=C1 AK-89755 [1,0,0,1,0,0|2,0,0]=4 245 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [1,0,0,1,0,0|1,0,0]=3 246 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 AK-30411 [0,0,0,1,1,0|2,0,0]=4 247 B11R2.36 CC1=CC2=C(C=C1)C=CN2 AK-16454 [0,0,0,1,1,0|2,0,0]=4 248 B11R2.36 CC1=CC=C2C=CSC2=C1 AK-61037 [0,0,0,1,1,0|2,0,0]=4 249 B11R2.36 CC1=CN=C2NC=CC2=C1 AK-40671 [0,0,0,1,1,0|2,0,0]=4 250 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 AK140036 [0,0,0,1,0,1|2,0,0]=4 251 B13R2.10 BrC1=CN=C(O1)C2=CC=CC=C2 AK-40252 [0,0,0,1,0,1|2,0,0]=4 252 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 AK123482 [0,0,0,1,0,1|1,0,1]=4 253 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 AK149271 [0,0,0,1,0,1|1,1,0]=4 254 B13R2.10 BrC1=C[N](N=C1)C2=CC=CC=C2 AK-47362 [0,0,0,1,0,1|2,0,0]=4 255 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AK163292 [0,0,0,1,0,1|1,0,0]=3 256 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 AK-33190 [0,0,0,1,0,1|2,0,0]=4 257 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 AK139802 [0,0,0,1,0,1|2,0,0]=4 258 B13R2.10 CC1=NNC(C2=CC=CC=C2)=C1 AK309806 [0,0,0,1,0,1|2,0,0]=4 259 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 AK142339 [0,0,0,1,0,1|1,0,1]=4 260 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 AK200048 [0,0,0,1,0,1|2,0,0]=4 261 B13R2.32 BrC1=C(Br)N=CC2=C1C=CC=C2 AK-49733 [0,0,0,1,0,1|2,0,0]=4 262 B13R2.32 CC1=C(N)C2=C(C=CC=C2)C=C1 AK-81542 [0,0,0,1,0,1|1,0,0]=3 263 B13R2.32 CC1=C(O)C2=C(C=CC=C2)C=C1 AK-45771 [0,0,0,1,0,1|0,0,1]=3 264 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AK110949 [0,0,0,1,0,1|0,0,2]=4 265 B13R2.32 ClC1=C(Br)C=NC2=C1C=CC=C2 AK-36273 [0,0,0,1,0,1|2,0,0]=4 266 B13R2.32 ClC1=C(C2=CC=CC=C2C=N1)N AK-24958 [0,0,0,1,0,1|2,0,0]=4 267 B13R2.32 IC1=C(Cl)C2=CC=CC=C2N=C1 AK114474 [0,0,0,1,0,1|2,0,0]=4 268 B13R2.32 NC1=C(C=NC2=CC=CC=C12)Br AK-23731 [0,0,0,1,0,1|2,0,0]=4 269 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 AK156251 [0,0,0,1,0,1|2,0,0]=4 270 B13R2.32 NC1=C(N=CC2=CC=CC=C12)Br AK-24957 [0,0,0,1,0,1|2,0,0]=4 271 B13R2.32 O=C1N(C)C=CC2=C1C=CC=C2 AK118859 [0,0,0,1,0,1|1,0,0]=3 272 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 AK-32485 [0,0,0,1,0,1|1,0,1]=4 273 B13R2.32 OC1=C(C)C2=CC=CC=C2N=C1 AK131001 [0,0,0,1,0,1|2,0,0]=4 274 B13R2.32 OC1=C(I)C=NC2=CC=CC=C12 AK146195 [0,0,0,1,0,1|1,0,1]=4 275 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br AK-75886 [0,0,0,1,0,1|2,0,0]=4 276 B13R2.32 OC1=CC=C2C=CC=CC2=C1Cl AK405288 [0,0,0,1,0,1|2,0,0]=4 277 B13R2.57 C1=C(C=CC2=NC=CC=C12)C=O AK-25085 [0,0,0,1,0,1|1,0,1]=4 278 B13R2.57 C1=NC(=CC2=C1C=CC=C2)C=O AK-24631 [0,0,0,1,0,1|0,0,1]=3 279 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 AK-30242 [0,0,0,1,0,1|0,0,1]=3 280 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 AK-25470 [0,0,0,1,0,1|1,0,0]=3 281 B13R2.15 BrC1=C(C2=CC=CC=C2)OC=N1 AK143279 [0,1,0,1,0,0|1,0,1]=4 282 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 AK-58815 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 AK-33201 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.135 C1=CC=CC2=C1C(=C(C)[NH]2)C=O AK-16445 [0,1,0,1,0,0|1,0,0]=3 285 B13R2.135 CC1=C(C=O)C2=C(N1)N=CC=C2 AK-31266 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.135 CC=1N(CC)C2=C(C1)C=CC=C2 AK-87148 [0,1,0,1,0,0|1,0,1]=4 287 B13R2.135 N#CC1=C(C)NC2=C1C=CC=C2 AK-46068 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.135 O=CC1=C(Br)SC2=CC=CC=C21 AK150700 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.135 O=CC1C(NC2=C1C=CC=C2)=O AK-90168 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.328 BrC1=NC(=CC2=CC=CC=C12)Br AK-24473 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [0,1,0,1,0,0|1,0,1]=4 292 B13R2.328 C1=CC=CC2=C1N=C(N=C2C)C AK-46661 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.328 CC1=CC(Br)=C2C=CC=CC2=C1 AK127805 [0,1,0,1,0,0|1,0,0]=3 294 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 AK-54599 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 AK101791 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 AK-94090 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.328 ClC1=CC2=C(C(Cl)=N1)C=CC=C2 AK-28004 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.328 ClC1=NC(=NC2=CC=CC=C12)C AK-30091 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.328 NC1=CC(C)=NC2=CC=CC=C12 AK-32600 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.328 NC1=NC(Cl)=CC2=C1C=CC=C2 AK147558 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.328 O=C1CC(C2=C(N1)C=CC=C2)=O AK-42607 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AK-55016 [0,1,0,1,0,0|2,0,0]=4 303 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 AK-84561 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.328 OC1=C2C=CC=CC2=NC(C)=N1 AK-47027 [0,1,0,1,0,0|1,0,1]=4 306 B13R2.328 OC1=C2N=CC=CC2=CC(C)=C1 AK149934 [0,1,0,1,0,0|1,0,1]=4 307 B13R2.328 OC1=CC(C)=NC2=CC=CC=C12 AK499556 [0,1,0,1,0,0|1,0,1]=4 308 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 AK-45349 [0,1,0,1,0,0|0,0,0]=2 309 B13R2.45 O=CC1=NC2=CC=CC=C2N1C AK-27082 [0,1,0,1,0,0|1,0,0]=3 310 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O AK-81927 [0,1,0,1,0,0|1,0,0]=3 311 B13R2.3085 O=C1C(=O)C2=C(C=CC=C2)C1=O AK-76989 [0,1,0,1,0,0|1,0,0]=3 312 B13R2.3085 O=C1N(Cl)C(C2=C1C=CC=C2)=O AK105877 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.3085 O=C1N(N)C(C2=C1C=CC=C2)=O AK-86251 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.3085 O=C1N(O)C(C2=CC=CC=C12)=O AK-47868 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 AK-57803 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.369 BrC1=NC2=CC=CC=C2C=C1Br AK-39851 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.369 CC1=C(Br)C=C2C=CC=NC2=C1 AK101770 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.369 CC1=NC2=CC=CC=C2C=C1N AK-30794 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl AK-79092 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.369 NC1=C(C)C=C2C=CC=NC2=C1 AK435742 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N AK-50115 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [0,1,0,1,0,0|1,0,1]=4 323 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br AK-75962 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O AK-45516 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl AK-82046 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,1,0,1,0,0|0,0,2]=4 327 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,1,0,1,0,0|0,0,2]=4 328 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,1,0,1,0,0|0,0,2]=4 329 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [0,1,0,1,0,0|1,0,0]=3 330 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,1,0,1,0,0|1,0,0]=3 331 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O AK106395 [0,1,0,1,0,0|2,0,0]=4 333 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 AK-89515 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.435 O1C2=C(N=C1C(C)=O)C=CC=C2 AK-31935 [0,1,0,1,0,0|2,0,0]=4 335 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O AK161700 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [0,1,0,1,0,0|2,0,0]=4 337 B13R2.435 O=C(C1=CN2C=CC=CC2=N1)O AK-30092 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.435 O=C(C1NC2=C(C=CC=C2)C1)O AK-57170 [0,1,0,1,0,0|1,0,1]=4 339 B13R2.435 O=C(C1OC2=CC=CC=C2C1)O AK-30285 [0,1,0,1,0,0|1,0,1]=4 340 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,1,0,1,0,0|1,0,0]=3 341 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,1,0,1,0,0|1,0,0]=3 344 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,1,0,1,0,0|1,0,0]=3 345 B13R2.435 S1C2=C(N=C1C(=O)O)C=CC=C2 AK-40963 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.43 ClC1=CC2=C(C=C(N2)C=O)C=C1 AK100512 [0,1,0,1,0,0|1,0,0]=3 348 B13R2.43 ClC1=CC2=C(NC(C=O)=C2)C=C1 AK-99921 [0,1,0,1,0,0|1,0,0]=3 349 B13R2.43 O=CC1=NC2=CC=C(F)C=C2N1 AK-36724 [0,1,0,1,0,0|2,0,0]=4 350 B13R2.3028 C1=C(Cl)C=CC2=C1C(C(=O)N2)=O AK-28898 [0,1,0,1,0,0|2,0,0]=4 351 B13R2.3028 C1=C(F)C=CC2=C1C(C(=O)N2)=O AK-29255 [0,1,0,1,0,0|2,0,0]=4 352 B13R2.3028 CC1=C(C)C2=CC(F)=CC=C2N1 AK-78906 [0,1,0,1,0,0|2,0,0]=4 353 B13R2.3028 CC1=C(C)NC2=C1C=C(Br)C=C2 AK-49810 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.3028 CC1=C(C)NC2=C1C=C(Cl)C=C2 AK-50295 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.3028 CC1CC2=CC=C(Cl)C=C2C1=O AK-80536 [0,1,0,1,0,0|0,0,2]=4 356 B13R2.3028 O=C1N(C)CC2=C1C=C(Br)C=C2 AK145288 [0,1,0,1,0,0|1,0,1]=4 357 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O AK-45956 [0,1,0,1,0,0|2,0,0]=4 358 B13R2.3683 BrC1=CC2=C(C=C1)C=C(Br)C=C2 AK-33188 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.3683 C1=C(C)C=CC2=C1C=CC(O2)=O AK-47577 [0,1,0,1,0,0|2,0,0]=4 360 B13R2.3683 C1=C(C=CC2=C1C=CC(=C2)Br)O AK-46757 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 AK-34594 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 AK-27111 [0,1,0,1,0,0|2,0,0]=4 363 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 AK-26649 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.3683 ClC1=CC2=C(C=C(Br)C=C2)N=C1 AK102533 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.3683 NC1=CC2=C(C=C(Cl)C=C2)N=C1 AK-49305 [0,1,0,1,0,0|2,0,0]=4 366 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 AK122789 [0,1,0,1,0,0|2,0,0]=4 367 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK-36293 [0,1,0,1,0,0|2,0,0]=4 368 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK128775 [0,1,0,1,0,0|2,0,0]=4 369 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 AK128776 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 AK-50622 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.54 BrC1=CC=CC2=C1C=C(N2)C=O AK100510 [0,1,0,1,0,0|1,0,0]=3 372 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br AK-30563 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.155 BrC1=CC=C2C(=C1)C=C(C=C2)O AK-25309 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.155 CC1=NC2=C(C=CC(Br)=C2)C=C1 AK111212 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 AK-23874 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.155 IC1=CC=C2N=CC(Br)=CC2=C1 AK127010 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 AK105869 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.155 OC1=CC2=C(C=C1)N=CC(Br)=C2 AK-89992 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 AK-43231 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.155 OC1=CC2=CC(O)=CC=C2C=C1 AK-45590 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.155 OC1=CC=C2C=CC(N)=CC2=C1 AK470324 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 AK138167 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 AK325416 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.4856 BrC1=C2C(=CC=C1)NC(C2=O)=O AK-31884 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.4856 C1=CC=C(C2=C1NC(=O)C2=O)Cl AK-30079 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O AK-34773 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.5179 BrC1=CC2=CC=CC(Br)=C2C=C1 AK165083 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.5179 C1=CC(=CC2=CC=CC(=C12)O)O AK-47629 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.5179 CC1=NC2=C(C=C1)C(Cl)=CC=C2 AK111211 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.5179 FC1=CC2=CC=CC(Br)=C2N=C1 AK164694 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.5179 IC1=CC2=CC=CC(Cl)=C2N=C1 AK471124 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.5179 NC1=C2C=CC(C)=CC2=CC=C1 AK150347 [0,1,0,1,0,0|1,0,0]=3 393 B13R2.5179 NC1=C2C=CC(C)=NC2=CC=C1 AK-81688 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 AK103131 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 AK341304 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.5179 OC1=CC=CC2=C1C=CC(Br)=C2 AK104878 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.5190 C1=C(Br)C=CC2=C1NC(=O)C2=O AK-27181 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.5190 C1=C(Cl)C=CC2=C1NC(=O)C2=O AK-30078 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 AK141512 [0,1,0,1,0,0|0,0,2]=4 400 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 AK117249 [0,1,0,1,0,0|0,0,2]=4 401 B13R2.5190 O=C1N(C)CC2=C1C=CC(Br)=C2 AK-37748 [0,1,0,1,0,0|1,0,1]=4 402 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O AK-41871 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O AK-28678 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N AK-28486 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O AK-37001 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.162 CC1=CC2=C(C=CN=C2Cl)C=C1 AK-49595 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 AK-31867 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.162 CC1=NC2=C(C=CC=C2C)C=C1 AK111198 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.162 NC1=C2C=C(C)C=CC2=CC=C1 AK150342 [0,1,0,1,0,0|1,0,0]=3 410 B13R2.162 OC1=C2C=C(Br)C=NC2=CC=C1 AK-65356 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 AK542365 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.162 OC1=C2C=C(F)C=NC2=CC=C1 AK164644 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.162 OC1=CC2=C(C=CC=C2F)C=C1 AK-39811 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 AK-26794 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl AK-26712 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 AK-75781 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.4825 CN1CC2=C(C=CC=C2Br)C1=O AK-37749 [0,1,0,1,0,0|1,0,1]=4 418 B13R2.4825 FC1=C2NC(C(C2=CC=C1)=O)=O AK-29137 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [1,0,0,0,1,0|1,0,0]=3 420 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,1,0|1,0,0]=3 421 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,1,0|1,0,0]=3 422 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [1,0,0,0,1,0|2,0,0]=4 423 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [1,0,0,0,1,0|2,0,0]=4 424 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [1,0,0,0,1,0|2,0,0]=4 425 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [1,0,0,0,1,0|2,0,0]=4 426 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [1,0,0,0,1,0|2,0,0]=4 427 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [1,0,0,0,1,0|2,0,0]=4 428 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [1,0,0,0,1,0|2,0,0]=4 429 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,1,0|1,0,1]=4 430 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,1,0|0,0,2]=4 431 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,0,0,0,1,0|2,0,0]=4 432 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,0,0,0,1,0|2,0,0]=4 433 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,0,0,0,1,0|1,1,0]=4 434 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [1,0,0,0,1,0|2,0,0]=4 435 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,1,0|1,0,0]=3 436 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [1,0,0,0,1,0|2,0,0]=4 437 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,0,0,0,1,0|2,0,0]=4 438 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [1,0,0,0,1,0|2,0,0]=4 439 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,0,0,0,1,0|2,0,0]=4 440 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [1,0,0,0,1,0|2,0,0]=4 441 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [1,0,0,0,1,0|2,0,0]=4 442 B9R1.13 CC(NC1=CSC=C1)=O AK-78788 [1,0,0,0,1,0|2,0,0]=4 443 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [1,0,0,0,1,0|1,0,1]=4