0 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [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|2,0,1]=3 5 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.34 O=C(N(OC)C)C1=CC=CC=C1 AK-50042 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [0,1,0,0,0,0|0,0,0]=1 73 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,0,0,1,0,0|0,0,2]=3 80 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 AK665664 [0,0,0,1,0,0|1,0,2]=4 82 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [0,0,0,1,0,0|0,0,0]=1 85 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,0,0,1,0,0|2,0,0]=3 86 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AK-78514 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 NC1CNC2=CC=CC=C2C1 AK-68575 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,0,0,1,0,0|2,0,0]=3 92 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.32 CNC1=NC2=C(N1)C=CC=C2 AK-95284 [0,0,0,1,0,0|2,0,1]=4 97 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [0,0,0,1,0,0|0,0,0]=1 98 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,0,0,0,1,0|2,0,0]=3 100 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,0,0,0,1,0|2,0,0]=3 103 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,0,0,0,1,0|0,0,0]=1 104 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [0,0,0,0,1,0|2,0,1]=4 105 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [0,0,0,0,1,0|3,0,0]=4 106 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [0,0,0,0,1,0|3,0,0]=4 107 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [0,0,0,0,1,0|3,0,0]=4 108 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,1,0|1,0,1]=3 109 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [0,0,0,0,1,0|3,0,0]=4 112 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [0,0,0,0,1,0|3,0,0]=4 114 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [0,0,0,0,1,0|3,0,0]=4 115 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [0,0,0,0,1,0|3,0,0]=4 116 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [0,0,0,0,1,0|3,0,0]=4 117 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,0,0,0,0,1|2,0,1]=4 118 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,0,0,0,0,1|2,0,0]=3 119 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,0,0,0,0,1|2,0,1]=4 120 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,0,0,0,1|2,0,1]=4 121 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,0,0,0,0,1|2,0,1]=4 122 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [2,0,0,0,0,0|1,0,0]=3 125 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.8 CCCC1=CC=NC=C1 AK109267 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.8 CCCC1=NC=CN=C1 AK305719 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.8 CCNC1=CC=CN=C1 AK126739 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.8 ONCC1=CC=CC=C1 AK110567 [2,0,0,0,0,0|1,0,0]=3 142 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [1,1,0,0,0,0|0,0,0]=2 148 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.17 N#CCCC1=CC=CC=C1Cl AK115012 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.24 COCOC1=CC(F)=CC=C1 AK101350 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [1,1,0,0,0,0|0,0,0]=2 197 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.86 CC(C)CC1=NC=CN=C1C AK-59003 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.86 CC(OC1=NC=CC=C1Br)C AK127008 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.86 OC1=CC=CN=C1CN(C)C AK-34123 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [1,1,0,0,0,0|0,0,0]=2 212 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.509 CC(OC1=CC=CN=C1)(C)C AK167270 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.509 CC(OC1=NC=CC=C1)(C)C AK161535 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.509 O=S(CC1=CC=CC=C1)(N)=O AK-32283 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.7 CC(C1=CC=CC=C1)(C)CN AK117158 [0,1,0,0,1,0|2,0,0]=4 223 B11R1.7 CC(O)(C1=CC=CC=C1)C#C AK305661 [0,1,0,0,1,0|1,0,1]=4 224 B11R1.7 CCC(C1=CC=CC=C1)(C)C AK-96688 [0,1,0,0,1,0|1,0,0]=3 225 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.12 OCC(C1=CC=CC=C1)CO AK-39914 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,1,0,0,1,0|1,0,1]=4 234 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,1,0,0,1,0|0,0,0]=2 235 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,1,0,0,1,0|0,0,0]=2 236 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,1,0,0,1,0|0,0,0]=2 237 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,1,0,0,1,0|1,0,0]=3 239 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,1,0,0,1,0|1,0,1]=4 242 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.23 CC(NC)C1=CC=CC(Br)=C1 AK608016 [0,1,0,0,1,0|0,0,0]=2 244 B11R1.23 CC[C@@H](C1=CC=CC(Br)=C1)N AK687502 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.23 CC[C@@H](C1=CC=CC(F)=C1)N AK134091 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.23 CC[C@H](C1=CC=CC(C)=C1)N AK134022 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.23 CC[C@H](C1=CC=CC(Cl)=C1)N AK153385 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.23 CC[C@H](C1=CC=CC(F)=C1)N AK-42095 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,1,0,0,1,0|1,0,1]=4 250 B11R1.222 CC(C1=CC=CC=C1C)C#N AK165081 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.222 CCC(C1=CC=CC=C1F)N AK544261 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.222 CC[C@@H](C1=CC=CC=C1F)N AK134089 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [0,1,0,0,1,0|1,0,0]=3 254 B11R1.222 N[C@@H](C1=CC=CC=C1C)CC AK-42242 [0,1,0,0,1,0|2,0,0]=4 255 B11R1.222 N[C@H](C1=CC=CC=C1Cl)CC AK-42248 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,1,0,0,1,0|1,0,1]=4 257 B13R1.351 NN(C(OCC1=CC=CC=C1)=O)C AK-68379 [0,1,0,0,0,1|1,0,1]=4 258 B13R1.152 CC(C(C)C(C1=CC=CC=C1)=O)=O AK-36052 [0,2,0,0,0,0|1,0,1]=4 259 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O AK-40093 [0,2,0,0,0,0|0,0,1]=3 260 B13R1.1073 O=C(O)C(C)(C)CC1=CC=CC=C1 AK-86266 [0,2,0,0,0,0|2,0,0]=4 261 B13R1.250 OCC(C)(C)CC1=CC=CC(C)=C1 AK163139 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.275 CC[N+](C)(CC1=CC=CC=C1Br)C AK-81946 [0,2,0,0,0,0|2,0,0]=4 263 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|2,0,0]=4 264 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,1,0,0|1,0,1]=4 265 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [1,0,0,1,0,0|0,0,2]=4 266 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [1,0,0,1,0,0|1,0,1]=4 267 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [1,0,0,1,0,0|2,0,0]=4 268 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [1,0,0,1,0,0|2,0,0]=4 269 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [1,0,0,1,0,0|2,0,0]=4 270 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [1,0,0,1,0,0|2,0,0]=4 271 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [1,0,0,1,0,0|2,0,0]=4 272 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [1,0,0,1,0,0|0,0,0]=2 274 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [1,0,0,1,0,0|1,0,0]=3 275 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [1,0,0,1,0,0|1,0,0]=3 276 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.20 C12=CC=NC=C1CNCC2 AK-76649 [1,0,0,1,0,0|1,0,0]=3 278 B11R2.20 C12=NC=NC=C1CNCC2 AK-50803 [1,0,0,1,0,0|2,0,0]=4 279 B11R2.20 C12=NC=NC=C1CNCC2 AK162953 [1,0,0,1,0,0|2,0,0]=4 280 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [1,0,0,1,0,0|2,0,0]=4 281 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [1,0,0,1,0,0|0,0,2]=4 282 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [1,0,0,1,0,0|1,0,0]=3 283 B11R2.20 N1=CN=CC2=C1CCNC2 AK-24594 [1,0,0,1,0,0|2,0,0]=4 284 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [1,0,0,1,0,0|0,0,0]=2 285 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [1,0,0,1,0,0|1,0,0]=3 286 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [1,0,0,1,0,0|2,0,0]=4 287 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [1,0,0,1,0,0|0,0,2]=4 288 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [1,0,0,1,0,0|0,0,2]=4 289 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [1,0,0,1,0,0|1,0,1]=4 290 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [1,0,0,1,0,0|0,0,0]=2 291 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [1,0,0,1,0,0|1,0,1]=4 292 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [1,0,0,1,0,0|1,0,0]=3 293 B11R2.40 NC1(C2=CC=CC=C2)CC1 AK-30570 [0,0,0,1,1,0|2,0,0]=4 294 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,0,0,1,0,1|1,0,1]=4 295 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AK110949 [0,0,0,1,0,1|2,0,0]=4 296 B13R2.57 OCC1NCC2=C(C=CC=C2)C1 AK-44942 [0,0,0,1,0,1|2,0,0]=4 297 B13R2.57 OC[C@@H]1NCC2=C(C=CC=C2)C1 AK-35913 [0,0,0,1,0,1|2,0,0]=4 298 B13R2.57 OC[C@H]1NCC2=C(C=CC=C2)C1 AK-28946 [0,0,0,1,0,1|2,0,0]=4 299 B13R2.2383 C1(NCC2=CC=CC=C2)COC1 AK165139 [0,0,0,1,0,1|2,0,0]=4 300 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 AK-93411 [0,0,0,1,0,1|2,0,0]=4 301 B13R2.15 NC1C(C2=CC=CC=C2)CCC1 AK162235 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 AK-26113 [0,1,0,1,0,0|2,0,0]=4 303 B13R2.64 C1(OC2=CC=CC=C2)CNCC1 AK305202 [0,1,0,1,0,0|1,0,0]=3 304 B13R2.64 N1(CC2=CC=CC=C2)CCCC1 AK140155 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.135 CC=1N(CC)C2=C(C1)C=CC=C2 AK-87148 [0,1,0,1,0,0|0,0,2]=4 306 B13R2.328 CC1CC(C)NC2=C1C=CC=C2 AK314918 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 AK-68772 [0,1,0,1,0,0|1,0,1]=4 308 B13R2.8137 NC(C1CCC1)C2=CC=CC=C2 AK167723 [0,1,0,1,0,0|1,0,0]=3 309 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.148 OC1=CC=C(CC2(N)CC2)C=C1 AK150057 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.3028 CC1CC2=CC=C(Cl)C=C2C1=O AK-80536 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.3683 BrC1=CC=C2C(=C1)CNC(C2)=O AK-31039 [0,1,0,1,0,0|1,0,1]=4 315 B13R2.3683 CC1NC2=C(C=C(F)C=C2)CC1 AK-31866 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.3683 CC1NCC2=C(C=CC(Br)=C2)C1 AK198636 [0,1,0,1,0,0|0,0,0]=2 317 B13R2.3683 NC1CC2=C(C=C(Br)C=C2)CC1 AK-63403 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.3683 NC1CC2=C(C=C(Br)C=C2)CC1 AK318917 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.3683 OC1=CC2=C(CN(C)CC2)C=C1 AK-80997 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.155 NC1CC2=C(C=CC(Br)=C2)CC1 AK153200 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.155 NC1CC2=C(C=CC(F)=C2)CC1 AK-63418 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.5179 OC1=CC=CC2=C1CCN(C)C2 AK406693 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 AK141512 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 AK117249 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.12 CCCCC1=CC=CS1 AK142166 [1,0,0,0,1,0|2,0,0]=4 326 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,0,0,0,1,0|1,0,0]=3 327 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,0,0,0,1,0|1,0,0]=3 328 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [1,0,0,0,1,0|2,0,0]=4 329 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [1,0,0,0,1,0|2,0,0]=4 330 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,0,0,0,1,0|2,0,0]=4 331 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,0,0,0,1,0|2,0,0]=4 332 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,1,0|0,0,0]=2 333 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,0,0,0,1,0|1,0,0]=3 334 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,0,0,0,1,0|1,0,0]=3 335 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,1,0|1,0,0]=3 336 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,0,0,0,1,0|2,0,0]=4 337 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,0,0,0,1,0|2,0,0]=4 338 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,0,0,0,1,0|1,0,0]=3 339 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,0,0,0,1,0|2,0,0]=4 340 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,0,0,0,1,0|1,0,0]=3 341 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,0,0,0,1,0|1,0,1]=4 342 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,0,0,0,1,0|1,0,1]=4 343 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,0,0,0,1,0|1,0,1]=4 344 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [1,0,0,0,1,0|1,0,0]=3 345 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,0,0,0,1,0|1,0,0]=3 346 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,1,0|1,0,1]=4 347 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [1,0,0,0,1,0|2,0,0]=4 348 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [1,0,0,0,1,0|1,0,1]=4 349 B13R1.718 CC(CBr)COCC1=CC=CC=C1 AK103236 [0,0,0,0,0,2|2,0,0]=4