0 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,0,0,0,0,0|1,0,1]=3 21 B12R1.478 NC(=O)C(C#N)C1=CC=CC=C1 AK-95370 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.478 O=C(O)C(C1=CC=CC=C1)CO AK-90070 [0,1,0,0,0,0|1,0,2]=4 23 B12R2.1 C1=C(C2=C(N=CC=C2)[NH]1)C=O AK-24128 [0,0,0,1,0,0|2,0,0]=3 24 B12R2.1 C1=C(C2=C(S1)C=CC=C2)C=O AK-27012 [0,0,0,1,0,0|1,0,0]=2 25 B12R2.1 C1=CC=CC2=C1[NH]C=C2C#N AK-73136 [0,0,0,1,0,0|2,0,1]=4 26 B12R2.1 N#CC1=CSC2=C1C=CC=C2 AK-80846 [0,0,0,1,0,0|1,1,1]=4 27 B12R2.1 NCC1=CNC2=C1C=CC=C2 AK-22163 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.1 O=CC1=C2C=CC=CN2C=N1 AK-49925 [0,0,0,1,0,0|2,0,1]=4 29 B12R2.1 O=CC1=CN=C2C=CC=CN12 AK-44714 [0,0,0,1,0,0|2,0,0]=3 30 B12R2.1 O=CC1=CNC2=C1C=CC=C2 AK-49824 [0,0,0,1,0,0|1,0,0]=2 31 B12R2.1 O=CC1=CNC2=C1C=CN=C2 AK-68309 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.1 O=CC1=CNC2=C1C=NC=C2 AK-41565 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.1 O=CC1=CNC2=C1C=NC=N2 AK102816 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.1 O=CC1=CNC2=CC=CN=C21 AK-40504 [0,0,0,1,0,0|2,0,0]=3 35 B12R2.1 O=CC1=COC2=C1C=CC=C2 AK-35267 [0,0,0,1,0,0|1,0,0]=2 36 B12R2.1 O=CC1=NNC2=C1C=CC=C2 AK-45326 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.2 C1(C2=CC=CC=C2)=CC=CS1 AK117454 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.2 C1(C2=CC=CC=C2)=CNN=C1 AK-30224 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.2 C1=NN=CN1C2=CC=CC=C2 AK102376 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.2 N1(C2=CC=CC=C2)C=CN=C1 AK113470 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.2 N1C=CC(=N1)C2=CC=CC=C2 AK-39279 [0,0,0,1,0,0|2,0,1]=4 42 B12R2.2 N1C=CC=C1C2=CC=CC=C2 AK-84792 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.2 O1C=NC=C1C2=CC=CC=C2 AK-40844 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [2,0,0,0,0,0|1,1,0]=4 58 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.7 O=S(C1=CC=CC=C1)(C=C)=O AK-47603 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [1,1,0,0,0,0|0,0,1]=3 70 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [1,1,0,0,0,0|0,0,2]=4 72 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [1,1,0,0,0,0|0,0,1]=3 78 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [1,1,0,0,0,0|0,0,1]=3 83 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [1,1,0,0,0,0|0,0,1]=3 84 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [1,1,0,0,0,0|0,0,1]=3 85 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [1,1,0,0,0,0|0,0,1]=3 86 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [1,1,0,0,0,0|0,0,1]=3 124 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [1,1,0,0,0,0|0,0,1]=3 125 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [1,1,0,0,0,0|0,0,1]=3 126 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.23 ClC1=CC=NC(=C1)C(=O)NC AK-28999 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 AK-39193 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AK-60929 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O AK-10035 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 AK-38402 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [1,1,0,0,0,0|0,0,1]=3 156 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [1,1,0,0,0,0|0,0,0]=2 158 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [1,1,0,0,0,0|0,0,1]=3 159 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [1,1,0,0,0,0|0,0,1]=3 160 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.222 C1=C(C(=O)OC)C(=NC=C1)F AK-25162 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.222 C1=CC=NC(=C1C(OC)=O)Cl AK-44999 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.222 C1=CC=NC(=C1C(OC)=O)N AK-27747 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.222 CC1=C(C(=O)OC)C=CC=N1 AK-27990 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [1,1,0,0,0,0|0,0,1]=3 177 B11R1.222 COC(=O)C1=C(C=NC=C1)I AK-23705 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.222 O=C(C#N)C1=CC=CC=C1F AK154692 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.222 O=C(C1=CC=CNC1=O)OC AK-28355 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.222 O=C(OC)C1=CC=NC=C1Br AK-46004 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.222 O=C(OC)C1=CC=NC=C1N AK-28029 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.222 O=C(OC)C1=CN=CC=C1C AK-39773 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.222 O=C(OC)C1=CN=CC=C1N AK-25475 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.222 OC1=CC=CC=C1C(NO)=O AK-48843 [1,1,0,0,0,0|2,0,0]=4 202 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O AK-40093 [0,1,0,0,0,1|1,0,1]=4 203 B13R1.706 CCC(C1=CC=C(Br)C=C1)C(O)=O AK158861 [0,2,0,0,0,0|0,0,2]=4 204 B13R1.3085 CCC(C1=CC=CC=C1)(N)C(O)=O AK-96199 [0,2,0,0,0,0|0,0,2]=4 205 B13R1.1111 CC(C)[C@@H](C1=CC=CC=C1)C(O)=O AK162327 [0,2,0,0,0,0|0,0,2]=4 206 B13R1.1111 CC(C)[C@H](C1=CC=CC=C1)C(O)=O AK-58328 [0,2,0,0,0,0|0,0,2]=4 207 B11R1.265 O=CC1=C(C)C=CC=C1CC AK192873 [0,0,1,1,0,0|0,0,2]=4 208 B11R1.265 O=CC1=C(C)C=CC=C1OC AK-68264 [0,0,1,1,0,0|1,0,1]=4 209 B11R1.267 O=CC1=CC=CC(C=O)=C1Br AK-50134 [0,0,1,1,0,0|2,0,0]=4 210 B11R2.1 BrC1=COC2=C1C=CC=C2 AK-90311 [1,0,0,1,0,0|1,0,1]=4 211 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [1,0,0,1,0,0|1,1,0]=4 212 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [1,0,0,1,0,0|1,0,0]=3 213 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|0,0,1]=3 214 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [1,0,0,1,0,0|1,0,1]=4 215 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,1,0,0|0,0,1]=3 216 B11R2.1 CC1=CNC2=C1C=CC=N2 AK-49155 [1,0,0,1,0,0|2,0,0]=4 217 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [1,0,0,1,0,0|2,0,0]=4 218 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [1,0,0,1,0,0|2,0,0]=4 219 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [1,0,0,1,0,0|2,0,0]=4 220 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [1,0,0,1,0,0|2,0,0]=4 221 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [1,0,0,1,0,0|1,0,1]=4 222 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [1,0,0,1,0,0|1,0,1]=4 223 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,1,0,0|1,0,0]=3 224 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [1,0,0,1,0,0|2,0,0]=4 225 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [1,0,0,1,0,0|2,0,0]=4 226 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,1,0,0|1,0,0]=3 227 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [1,0,0,1,0,0|2,0,0]=4 228 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [1,0,0,1,0,0|1,1,0]=4 229 B13R2.45 CC1=C(NC2=C1C=CC=C2)C#N AK-49345 [0,0,0,1,0,1|1,0,1]=4 230 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 AK-45349 [0,0,0,1,0,1|1,0,0]=3 231 B13R2.45 O=CC1=NC2=CC=CC=C2N1C AK-27082 [0,0,0,1,0,1|1,0,0]=3 232 B13R2.57 C1=C(C=CC2=NC=CC=C12)C=O AK-25085 [0,0,0,1,0,1|1,0,1]=4 233 B13R2.57 C1=NC(=CC2=C1C=CC=C2)C=O AK-24631 [0,0,0,1,0,1|1,0,1]=4 234 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 AK110812 [0,0,0,1,0,1|2,0,0]=4 235 B13R2.57 COC1=CC2=CC=CC=C2N=C1 AK-39637 [0,0,0,1,0,1|2,0,0]=4 236 B13R2.57 COC1=NC2=CC=CC=C2C=C1 AK-94453 [0,0,0,1,0,1|2,0,0]=4 237 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 AK-30242 [0,0,0,1,0,1|1,0,0]=3 238 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 AK-25470 [0,0,0,1,0,1|1,0,0]=3 239 B13R2.1 NCCC1=COC2=CC=CC=C12 AK-32065 [0,1,0,1,0,0|0,0,2]=4 240 B13R2.3 C1(C2=CC=CC=C2)=CC=NC=C1 AK-48606 [0,1,0,1,0,0|1,0,1]=4 241 B13R2.3 C1(C2=CC=CC=C2)=CCCCC1 AK339077 [0,1,0,1,0,0|1,0,1]=4 242 B13R2.3 C1(C2=CC=CC=C2)=NC=CC=C1 AK-46559 [0,1,0,1,0,0|1,0,1]=4 243 B13R2.3 C1(C2=CC=CC=C2)=NC=CC=C1 AK110419 [0,1,0,1,0,0|1,0,1]=4 244 B13R2.3 C1(C2=CC=CC=C2)=NC=NC=C1 AK139658 [0,1,0,1,0,0|1,0,1]=4 245 B13R2.3 C1=CC=C(C=C1)C2=CN=CN=C2 AK-34781 [0,1,0,1,0,0|1,0,1]=4 246 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 AK140036 [0,1,0,1,0,0|1,0,1]=4 247 B13R2.10 BrC1=NC=C(O1)C2=CC=CC=C2 AK-33084 [0,1,0,1,0,0|2,0,0]=4 248 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AK163292 [0,1,0,1,0,0|2,0,0]=4 249 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 AK-33190 [0,1,0,1,0,0|1,0,0]=3 250 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 AK139802 [0,1,0,1,0,0|2,0,0]=4 251 B13R2.10 CC1=NNC(C2=CC=CC=C2)=C1 AK309806 [0,1,0,1,0,0|2,0,0]=4 252 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 AK142339 [0,1,0,1,0,0|2,0,0]=4 253 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)O1 AK-78036 [0,1,0,1,0,0|2,0,0]=4 254 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 AK200048 [0,1,0,1,0,0|1,0,1]=4 255 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 AK477790 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 AK-64962 [0,1,0,1,0,0|2,0,0]=4 257 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 AK-41436 [0,1,0,1,0,0|2,0,0]=4 258 B13R2.10 O=C1NN(C2=CC=CC=C2)C=C1 AK543254 [0,1,0,1,0,0|1,0,1]=4 259 B13R2.15 BrC1=C(C2=CC=CC=C2)OC=N1 AK143279 [0,1,0,1,0,0|2,0,0]=4 260 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 AK-33201 [0,1,0,1,0,0|1,0,0]=3 261 B13R2.15 O=C1CC=NN1C2=CC=CC=C2 AK548937 [0,1,0,1,0,0|1,0,0]=3 262 B13R2.1613 C1=CC=CC2=NC=CC(=C12)C=O AK-25975 [0,1,0,1,0,0|0,0,1]=3 263 B13R2.1613 C1=NC=CC2=C1C=CC=C2C=O AK-22169 [0,1,0,1,0,0|1,0,1]=4 264 B13R2.1613 C1=NC=CC2=CC=CC(=C12)C=O AK-26335 [0,1,0,1,0,0|1,0,1]=4 265 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 AK-47731 [0,1,0,1,0,0|1,0,1]=4 266 B13R2.1613 CNC1=CC=CC2=C1C=CC=C2 AK-86049 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 AK105904 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.1613 COC1=CN=CC2=CC=CC=C12 AK-39644 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.1613 O=CC1=C2C=CC=CC2=CC=C1 AK105972 [0,1,0,1,0,0|0,0,1]=3 270 B13R2.1613 O=CC1=C2N=CC=CC2=CC=C1 AK-34962 [0,1,0,1,0,0|1,0,1]=4 271 B13R2.1613 O=CC1=CN=CC2=C1C=CC=C2 AK-24096 [0,1,0,1,0,0|0,0,1]=3 272 B13R2.1613 O=CC1=NC=CC2=CC=CC=C12 AK-35206 [0,1,0,1,0,0|0,0,1]=3 273 B13R2.2931 CN1C=C(C=O)C2=CC=CN=C12 AK-49479 [0,1,0,1,0,0|1,0,0]=3 274 B13R2.2931 O=CC1=CN(C)C2=C1C=CC=C2 AK-61647 [0,1,0,1,0,0|0,0,0]=2 275 B13R2.2931 O=CC1=NN(C)C2=C1C=CC=C2 AK-40372 [0,1,0,1,0,0|1,0,0]=3 276 B13R2.12 NC1=CC=C(C2=CNN=C2)C=C1 AK-30669 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.662 BrC1=CC2=C(C=N1)C(C=O)=CN2 AK101131 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.662 BrC1=CC2=NC=C(C=O)N2C=C1 AK104503 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.662 C1=CC(=CC2=C1C(=C[NH]2)C=O)C AK-16414 [0,1,0,1,0,0|1,0,0]=3 280 B13R2.662 C1=CC(=CC2=C1C(=C[NH]2)C=O)F AK-46576 [0,1,0,1,0,0|1,0,0]=3 281 B13R2.662 ClC1=CC2=C(C=N1)C(C=O)=CN2 AK-90203 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.662 ClC1=CC=C2C(NN=C2C=O)=C1 AK-80960 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.662 O=CC1=CNC2=C1C=CC(Br)=C2 AK-84448 [0,1,0,1,0,0|1,0,0]=3 284 B13R2.662 O=CC1=CNC2=CC(Br)=CN=C21 AK-68310 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.662 O=CC1=CNC2=NC(Cl)=CC=C21 AK-68844 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.662 O=CC1=NNC2=C1C=CC(Br)=C2 AK-37707 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.9 C1=C(C2=CC=CC(=C2[NH]1)C)C=O AK-16416 [0,1,0,1,0,0|1,0,0]=3 288 B13R2.9 ClC1=CC=CC2=C1NC=C2C=O AK-80194 [0,1,0,1,0,0|1,0,0]=3 289 B13R2.2136 BrC1=CC=C2[NH]N=C(C2=C1)C=O AK-22072 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.2136 BrC1=CN=C2C(=C1)C(=C[NH]2)C=O AK-30703 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.2136 BrC1=C[N]2C(=NC=C2C=O)C=C1 AK-24567 [0,1,0,1,0,0|2,0,0]=4 292 B13R2.2136 C1=C(C2=C([NH]1)C=CC(=C2)C)C=O AK-16412 [0,1,0,1,0,0|1,0,0]=3 293 B13R2.2136 C1=C2C(=CC=C1Br)[NH]C=C2C=O AK-16404 [0,1,0,1,0,0|1,0,0]=3 294 B13R2.2136 CC1=CC=C2[NH]N=C(C2=C1)C=O AK-22206 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.2136 ClC1=C[N]2C(=NC=C2C=O)C=C1 AK-24112 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.2136 O=CC1=CNC2=C1C=C(Cl)C=C2 AK-44112 [0,1,0,1,0,0|1,0,0]=3 297 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 AK-87673 [0,1,0,1,0,0|1,0,0]=3 298 B13R2.2136 O=CC1=CNC2=C1C=C(O)C=C2 AK-68692 [0,1,0,1,0,0|1,0,0]=3 299 B13R2.135 C1=CC=CC2=C1C(=C(C)[NH]2)C=O AK-16445 [0,1,0,1,0,0|0,0,0]=2 300 B13R2.135 CC1=C(C=O)C2=C(N1)N=CC=C2 AK-31266 [0,1,0,1,0,0|1,0,0]=3 301 B13R2.135 N#CC1=C(C)NC2=C1C=CC=C2 AK-46068 [0,1,0,1,0,0|1,0,1]=4 302 B13R2.135 O=C1N(CC)C2=CC=CC=C2N1 AK-92954 [0,1,0,1,0,0|1,0,1]=4 303 B13R2.135 O=CC1=C(Br)SC2=CC=CC=C21 AK150700 [0,1,0,1,0,0|1,0,0]=3 304 B13R2.135 O=CC1C(NC2=C1C=CC=C2)=O AK-90168 [0,1,0,1,0,0|1,0,1]=4 305 B13R2.2091 BrC1=CC=NC2=C1C(C=O)=CN2 AK-31263 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.2091 C1=C(C2=C(Br)C=CC=C2[NH]1)C=O AK-16410 [0,1,0,1,0,0|1,0,0]=3 307 B13R2.2091 FC1=CC=CC2=C1C(C=O)=CN2 AK110829 [0,1,0,1,0,0|1,0,0]=3 308 B13R2.2091 O=CC1=CN=C2C=CC=C(N)N21 AK151030 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.2091 O=CC1=CNC2=NC=CC(Cl)=C21 AK-27668 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.2091 OC1=C2C(=CC=C1)[NH]C=C2C=O AK-16457 [0,1,0,1,0,0|1,0,0]=3 311 B13R2.72 C1=CC=CC2=C1C(=C[NH]2)C(C)=O AK-47338 [0,1,0,1,0,0|1,0,0]=3 312 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 AK103933 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.72 CC(=O)C1=CNC2=C1C=CN=C2 AK-80921 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.72 CC(C1=CNC2=C1C=NC=C2)=O AK141015 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.72 CC(N1CCC2=C1C=CC=C2)=O AK-47012 [0,1,0,1,0,0|1,0,1]=4 316 B13R2.72 O1C2=C(C(=N1)C(=O)O)C=CC=C2 AK-31280 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.72 O=C(C1=C2C=CC=CN2N=C1)O AK-27754 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.72 O=C(C1=CN=C2C=CC=CN21)O AK-30256 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)N AK-42150 [0,1,0,1,0,0|1,0,0]=3 320 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)O AK-46089 [0,1,0,1,0,0|1,0,0]=3 321 B13R2.72 O=C(C1=CNC2=C1C=CC=N2)C AK-24555 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.72 O=C(C1=CNC2=C1C=NC=C2)O AK-45852 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.72 O=C(C1=CNC2=CC=CN=C12)O AK-36589 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.72 O=C(C1=CNC2=NC=CC=C21)O AK-46690 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)N AK-46919 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)O AK-27131 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O AK-39534 [0,1,0,1,0,0|0,0,2]=4 328 B13R2.72 O=C([C@@H]1NCC2=C1C=CC=C2)O AK550278 [0,1,0,1,0,0|1,0,1]=4 329 B13R2.72 O=C([C@H]1NCC2=C1C=CC=C2)O AK550292 [0,1,0,1,0,0|1,0,1]=4 330 B13R2.72 O=[N+](C1=CNC2=C1C=CC=C2)[O-] AK117845 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.72 S1C2=C(C(=C1)C(=O)O)C=CC=C2 AK-29353 [0,1,0,1,0,0|1,0,0]=3 332 B13R2.439 OC(=O)C1(CC1)C2=CC=CC=C2 AK-43555 [0,1,0,1,0,0|0,0,2]=4 333 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [1,0,0,0,1,0|2,0,0]=4 334 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [1,0,0,0,1,0|2,0,0]=4 335 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [1,0,0,0,1,0|2,0,0]=4 336 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [1,0,0,0,1,0|2,0,0]=4 337 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [1,0,0,0,0,1|0,0,1]=3 338 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,0,0,0,1|2,0,0]=4 339 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [1,0,0,0,0,1|2,0,0]=4 340 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [1,0,0,0,0,1|1,0,1]=4 341 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [1,0,0,0,0,1|1,0,0]=3 342 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [1,0,0,0,0,1|1,0,0]=3 343 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [1,0,0,0,0,1|1,0,1]=4