0 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.18 S=C(N)NC1=NC=CC=C1 AK158972 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 C1=CC=NN=C1OCC AK-50551 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 CCNC1=NC=CN=C1 AK159718 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.20 OC1=CC=C(OC(F)F)C=C1 AK116337 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,1,0,0,0,0|0,0,1]=2 87 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.86 CC(C)CC1=NC=CN=C1C AK-59003 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.86 CC(OC1=NC=CC=C1Br)C AK127008 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.86 FC(F)OC1=CC=CC=C1Br AK-61615 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.86 IC1=CC=CC=C1OC(F)F AK136295 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.86 OC1=CC=CC=C1OC(F)F AK135667 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.86 OC1=CC=CN=C1CN(C)C AK-34123 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 AK-87088 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.157 FC(OC1=CC=CC(=C1)N)F AK-34187 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.509 CC(OC1=CC=CN=C1)(C)C AK167270 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.509 CC(OC1=NC=CC=C1)(C)C AK161535 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.509 CS(=O)(NC1=CC=CC=C1)=O AK-51764 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.509 F[B-](F)(CC1=CC=CC=C1)F AK105357 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.509 O=S(CC1=CC=CC=C1)(N)=O AK-32283 [0,1,0,0,0,0|2,0,0]=3 139 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,0|0,0,0]=1 140 B11R2.10 BrC1=NC2=C(N1)C=CC=C2 AK-35600 [0,0,0,1,0,0|2,0,1]=4 141 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [0,0,0,1,0,0|0,0,2]=3 142 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [0,0,0,1,0,0|2,0,1]=4 143 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [0,0,0,1,0,0|1,0,2]=4 144 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [0,0,0,1,0,0|2,0,1]=4 145 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [0,0,0,1,0,0|1,0,2]=4 146 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,0,0|1,0,1]=3 147 B11R2.10 CC1=CC2=CC=CN=C2N1 AK-25051 [0,0,0,1,0,0|1,0,2]=4 148 B11R2.10 CC1=NC2=C(S1)C=CC=C2 AK-45781 [0,0,0,1,0,0|1,0,2]=4 149 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [0,0,0,1,0,0|1,0,1]=3 150 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [0,0,0,1,0,0|1,0,2]=4 151 B11R2.10 CC1=NC2=NC=CC=C2N1 AK-39947 [0,0,0,1,0,0|2,0,1]=4 152 B11R2.10 ClC1=NC2=CC=CC=C2N1 AK-26782 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [0,0,0,1,0,0|1,0,2]=4 154 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [0,0,0,1,0,0|1,0,2]=4 155 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [0,0,0,1,0,0|2,0,1]=4 156 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [0,0,0,1,0,0|1,0,2]=4 157 B11R2.10 NC1=NC2=CC=CC=C2N1 AK-54965 [0,0,0,1,0,0|2,0,1]=4 158 B11R2.10 NC1=NC2=CC=CC=C2O1 AK-35247 [0,0,0,1,0,0|2,0,1]=4 159 B11R2.10 NC1=NC2=CC=CC=C2S1 AK-41354 [0,0,0,1,0,0|2,0,1]=4 160 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [0,0,0,1,0,0|0,0,0]=1 161 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [0,0,0,1,0,0|2,0,1]=4 162 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [0,0,0,1,0,0|2,0,1]=4 163 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [0,0,0,1,0,0|1,0,1]=3 164 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,0,0,1,0,0|2,0,1]=4 165 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [0,0,0,1,0,0|1,0,0]=2 166 B11R2.10 S=C1SC2=CC=CC=C2N1 AK-47877 [0,0,0,1,0,0|2,0,1]=4 167 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,0,0,0,1,0|2,0,1]=4 168 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,0,0,1,0|2,0,1]=4 169 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,0,0,0,1,0|2,0,1]=4 170 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [0,0,0,0,1,0|3,0,0]=4 171 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [0,0,0,0,1,0|2,0,0]=3 172 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [0,0,0,0,1,0|1,0,0]=2 173 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [0,0,0,0,1,0|2,0,0]=3 174 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [0,0,0,0,1,0|2,0,0]=3 175 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [0,0,0,0,1,0|2,0,0]=3 176 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [0,0,0,0,1,0|3,0,0]=4 177 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [0,0,0,0,1,0|0,0,0]=1 178 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [0,0,0,0,1,0|1,0,0]=2 179 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [0,0,0,0,1,0|1,0,0]=2 180 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,0,0,0,1,0|1,0,0]=2 181 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [0,0,0,0,1,0|2,0,0]=3 182 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [0,0,0,0,1,0|2,0,0]=3 183 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [0,0,0,0,1,0|1,0,0]=2 184 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [0,0,0,0,1,0|2,0,0]=3 185 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [0,0,0,0,1,0|2,0,1]=4 186 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [0,0,0,0,1,0|1,0,0]=2 187 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [0,0,0,0,1,0|1,0,1]=3 188 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [0,0,0,0,1,0|2,0,1]=4 189 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [0,0,0,0,1,0|2,0,1]=4 190 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [0,0,0,0,1,0|2,0,1]=4 191 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [0,0,0,0,1,0|2,0,1]=4 192 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [0,0,0,0,1,0|1,0,1]=3 193 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [0,0,0,0,1,0|1,0,1]=3 194 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [0,0,0,0,1,0|1,0,0]=2 195 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [0,0,0,0,1,0|1,0,0]=2 196 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,0,0,0,1,0|1,0,1]=3 197 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,0,0,0,1,0|2,0,1]=4 198 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,0,0,0,1,0|2,0,1]=4 199 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [0,0,0,0,1,0|3,0,0]=4 200 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [0,0,0,0,1,0|3,0,0]=4 201 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,0,0,0,1,0|2,0,1]=4 202 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,0,1|1,0,2]=4 203 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,0,0,0,0,1|1,0,1]=3 204 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,0,1|1,0,1]=3 205 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,0,0,0,0,1|2,0,1]=4 206 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,0,1|1,0,1]=3 207 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,0,0,0,0,1|1,0,2]=4 208 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,0,0,0,0,1|2,0,1]=4 209 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,0,0,0,0,1|2,0,1]=4 210 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,0,0,0,0,1|3,0,0]=4 211 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,0,0,0,0,1|2,0,1]=4 212 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|1,0,0]=3 213 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,0]=3 222 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|0,0,2]=4 223 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 NCC1=CC=NC=C1 AK-25866 [2,0,0,0,0,0|1,0,0]=3 225 B8R1.2 NCC1=CC=NC=C1 AK-50006 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 NCC1=CC=NN=C1 AK-23789 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 NCC1=CN=CN=C1 AK164227 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 NCC1=NC=CC=N1 AK-73144 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 NCC1=NC=CN=C1 AK-50813 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 NCC1=NC=NC=C1 AK-23966 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 NNC1=CC=CN=C1 AK-40869 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 NNC1=CC=CN=C1 AK-75799 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 NNC1=CC=NC=C1 AK-51295 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 NNC1=NC=CC=C1 AK-26026 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [1,1,0,0,0,0|0,0,2]=4 247 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,1,0,0,0,0|0,0,2]=4 250 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [1,1,0,0,0,0|0,0,2]=4 267 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|0,0,2]=4 268 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [1,1,0,0,0,0|0,0,2]=4 269 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|0,0,0]=2 274 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.4 C1=C(C(=CC=C1)CC#N)Br AK-45669 [1,1,0,0,0,0|0,0,2]=4 284 B10R1.4 CC1=CC=CC=C1CCO AK117334 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.4 CCOC1=C(N)C=CN=C1 AK100670 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [1,1,0,0,0,0|0,0,0]=2 292 B10R1.4 N#CCC1=CC=CC=C1F AK-48152 [1,1,0,0,0,0|0,0,2]=4 293 B10R1.4 N#CCC1=CC=CC=C1N AK-88479 [1,1,0,0,0,0|0,0,2]=4 294 B10R1.4 NC1=C(OCC)C=CN=C1 AK-59659 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [1,1,0,0,0,0|0,0,0]=2 296 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [1,1,0,0,0,0|0,0,0]=2 297 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.4 OC1=CC=CC=C1CCN AK114741 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.4 OCCC1=CC=CC=C1I AK149280 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.10 CCOC1=CC(Br)=NC=C1 AK146932 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.10 CCOC1=CC(Cl)=NC=C1 AK114104 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.10 CCOC1=CN=CC(N)=C1 AK100109 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.10 CCOC1=NC=CC(Br)=C1 AK129551 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.10 CNCC1=CC(=CN=C1)Br AK-50635 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.10 FC1=NC=CC(OCC)=C1 AK-64190 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [1,1,0,0,0,0|0,0,2]=4 324 B10R1.10 N#CCC1=CC=CC(N)=C1 AK-76735 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.10 NC1=CC(=NC=C1)NCC AK-47602 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,1,0,0,0,0|0,0,0]=2 335 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,1,0,0,0,0|0,0,2]=4 340 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,1,0,0,0,0|0,0,1]=3 342 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,1,0,0,0,0|0,0,2]=4 357 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,1,0,0,0,0|0,0,0]=2 372 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,1,0,0,0,0|0,0,1]=3 373 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,1,0,0,0,0|0,0,1]=3 381 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [0,1,0,0,1,0|1,0,1]=4 382 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [0,1,0,0,1,0|1,0,0]=3 383 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,1,0,0,1,0|1,0,1]=4 385 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,1,0,0,1,0|1,0,1]=4 386 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [0,1,0,0,1,0|1,0,0]=3 387 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,1,0,0,1,0|1,0,1]=4 388 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,1,0,0,1,0|1,0,1]=4 389 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,1,0,0,1,0|1,0,1]=4 390 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,1,0,0,1,0|1,0,1]=4 391 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [0,1,0,0,1,0|2,0,0]=4 392 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [0,1,0,0,1,0|1,0,0]=3 393 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [0,1,0,0,1,0|0,0,0]=2 394 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [0,1,0,0,1,0|1,0,0]=3 395 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [0,1,0,0,1,0|1,0,0]=3 396 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [0,1,0,0,1,0|1,0,0]=3 397 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [0,1,0,0,1,0|2,0,0]=4 398 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [0,1,0,0,1,0|2,0,0]=4 399 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [0,1,0,0,1,0|2,0,0]=4 400 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [0,1,0,0,1,0|2,0,0]=4 401 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [0,1,0,0,1,0|0,0,0]=2 402 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [0,1,0,0,1,0|0,0,0]=2 403 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [0,1,0,0,1,0|0,0,0]=2 404 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 AK204056 [0,1,0,0,1,0|1,0,0]=3 405 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [0,1,0,0,1,0|1,0,0]=3 406 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [0,1,0,0,1,0|0,0,0]=2 407 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [0,1,0,0,1,0|0,0,0]=2 408 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK173009 [0,1,0,0,1,0|1,0,0]=3 409 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK321169 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 AK668421 [0,1,0,0,1,0|1,0,0]=3 411 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [0,1,0,0,1,0|1,0,0]=3 412 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,1,0,0,1,0|1,0,0]=3 413 B10R1.13 FC(C1=CC=C(Cl)C=C1)F AK-77798 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [0,1,0,0,1,0|1,0,1]=4 415 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [0,1,0,0,1,0|1,0,1]=4 416 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [0,1,0,0,1,0|1,0,1]=4 417 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [0,1,0,0,1,0|1,0,1]=4 418 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [0,1,0,0,1,0|1,0,1]=4 419 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,1,0,0,1,0|1,0,1]=4 420 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [0,1,0,0,1,0|0,0,0]=2 422 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [0,1,0,0,1,0|0,0,0]=2 423 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [0,1,0,0,1,0|0,0,0]=2 424 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,1,0,0,1,0|1,0,1]=4 425 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,1,0,0,1,0|1,0,1]=4 426 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,1,0,0,1,0|1,0,1]=4 427 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [0,1,0,0,1,0|2,0,0]=4 428 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [0,1,0,0,1,0|1,0,1]=4 429 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [0,1,0,0,1,0|1,0,1]=4 430 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [0,1,0,0,1,0|0,0,0]=2 434 B10R1.28 CC(C)(C)C1=CC=NC=C1 AK-88357 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.28 CC(C)(O)C1=NC=CC=C1 AK111321 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [0,1,0,0,1,0|0,0,0]=2 437 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.28 CC(N)(C1=NC=CC=C1)C AK-64527 [0,1,0,0,1,0|1,0,0]=3 439 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AK-59630 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.28 O=S(C1=CC=CC=C1)(N)=O AK-77414 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [0,1,0,0,1,0|1,0,1]=4 443 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [0,1,0,0,1,0|1,0,1]=4 444 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [0,1,0,0,1,0|1,0,1]=4 445 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [0,1,0,0,1,0|1,0,1]=4 446 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [0,1,0,0,1,0|1,0,0]=3 447 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,1,0,0,1,0|1,0,1]=4 448 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [0,1,0,0,1,0|1,0,1]=4 449 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [0,1,0,0,1,0|1,0,0]=3 450 B10R1.61 CC(N)C1=CC=CC=C1Br AK548207 [0,1,0,0,1,0|0,0,0]=2 451 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [0,1,0,0,1,0|0,0,0]=2 452 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [0,1,0,0,1,0|0,0,0]=2 453 B10R1.61 CC(N)C1=CC=CC=C1F AK-78757 [0,1,0,0,1,0|0,0,0]=2 454 B10R1.61 CC(N)C1=NC=CC=C1C AK670791 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.61 CC(O)C1=C(F)C=NC=C1 AK174609 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.61 CC(O)C1=CC=CN=C1Cl AK118779 [0,1,0,0,1,0|2,0,0]=4 457 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK114068 [0,1,0,0,1,0|0,0,0]=2 460 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK155333 [0,1,0,0,1,0|0,0,0]=2 461 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [0,1,0,0,1,0|0,0,0]=2 462 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [0,1,0,0,1,0|0,0,0]=2 463 B10R1.61 C[C@@H](N)C1=CC=CC=C1F AK-33841 [0,1,0,0,1,0|0,0,0]=2 464 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [0,1,0,0,1,0|1,0,0]=3 465 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK-59163 [0,1,0,0,1,0|0,0,0]=2 466 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK174547 [0,1,0,0,1,0|0,0,0]=2 467 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [0,1,0,0,1,0|0,0,0]=2 468 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK-36100 [0,1,0,0,1,0|0,0,0]=2 469 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK162903 [0,1,0,0,1,0|0,0,0]=2 470 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [0,1,0,0,1,0|1,0,0]=3 471 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [0,1,0,0,1,0|1,0,0]=3 472 B10R1.61 FC1=C(C(=N)N)C=CC=C1 AK-16801-8 [0,1,0,0,1,0|1,0,1]=4 473 B10R1.61 NC(C1=CC=CC=C1Br)C AK-50562 [0,1,0,0,1,0|0,0,0]=2 474 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.61 N[C@@H](C1=CC=CC=C1F)C AK-42098 [0,1,0,0,1,0|0,0,0]=2 476 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [0,1,0,0,1,0|1,0,1]=4 477 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [0,1,0,0,1,0|1,0,1]=4 478 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [0,1,0,0,1,0|1,0,1]=4 479 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [0,1,0,0,1,0|1,0,1]=4 480 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [0,1,0,0,1,0|1,0,1]=4 481 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.113 BrC1=CC(=CC=C1)C(F)F AK-50673 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,1,0,0,1,0|1,0,1]=4 484 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [0,1,0,0,1,0|1,0,0]=3 485 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,1,0,0,1,0|1,0,1]=4 486 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,1,0,0,1,0|1,0,1]=4 487 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [0,1,0,0,1,0|0,0,0]=2 488 B10R1.113 CC(O)C1=CC(N)=NC=C1 AK109512 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.113 CC(O)C1=NC(Br)=CC=C1 AK-58995 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.113 CN(C)C1=CC=CC(Br)=C1 AK-63444 [0,1,0,0,1,0|2,0,0]=4 492 B10R1.113 C[C@@H](C1=CC=CC(N)=C1)N AK326677 [0,1,0,0,1,0|0,0,0]=2 493 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 AK608012 [0,1,0,0,1,0|1,0,0]=3 494 B10R1.113 C[C@@H](N)C1=CC(Cl)=CN=C1 AK668419 [0,1,0,0,1,0|1,0,0]=3 495 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK-33750 [0,1,0,0,1,0|0,0,0]=2 496 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK338979 [0,1,0,0,1,0|0,0,0]=2 497 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [0,1,0,0,1,0|0,0,0]=2 498 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [0,1,0,0,1,0|0,0,0]=2 499 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 AK-29516 [0,1,0,0,1,0|0,0,0]=2 500 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 AK668445 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [0,1,0,0,1,0|1,0,0]=3 502 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 AK335908 [0,1,0,0,1,0|1,0,0]=3 503 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK-33217 [0,1,0,0,1,0|0,0,0]=2 504 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK338984 [0,1,0,0,1,0|0,0,0]=2 505 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 AK-35182 [0,1,0,0,1,0|0,0,0]=2 506 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [0,1,0,0,1,0|1,0,0]=3 507 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 AK-16801-7 [0,1,0,0,1,0|1,0,1]=4 508 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,1,0,0,1,0|1,0,1]=4 509 B10R1.113 NC1=CC(N(C)C)=CC=C1 AK162007 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.113 N[C@@H](C1=CC=CC(F)=C1)C AK-45028 [0,1,0,0,1,0|0,0,0]=2 512 B10R1.113 N[C@H](C1=CC=CC(F)=C1)C AK-42995 [0,1,0,0,1,0|0,0,0]=2 513 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [0,1,0,0,1,0|1,0,1]=4 514 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [0,1,0,0,1,0|0,0,0]=2 516 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,1,0,0,0,1|1,0,1]=4 517 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,1,0,0,0,1|1,0,1]=4 519 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,1,0,0,0,1|1,0,0]=3 520 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,1,0,0,0,1|1,0,1]=4 521 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,1,0,0,0,1|1,0,1]=4 522 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,1,0,0,0,1|1,0,1]=4 523 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,1,0,0,0,1|1,0,1]=4 524 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,1,0,0,0,1|1,0,1]=4 525 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,1,0,0,0,1|1,0,1]=4 526 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,1,0,0,0,1|1,0,1]=4 527 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,1,0,0,0,1|1,0,1]=4 528 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,0,1|1,0,1]=4 529 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,0,1|1,0,1]=4 530 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,0,1|1,0,1]=4 531 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,1,0,0,0,1|1,0,1]=4 532 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,0,1|1,0,1]=4 533 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,1,0,0,0,1|1,0,1]=4 534 B12R1.891 CC(O)(C)C#CC1=CC=CC=C1 AK-63782 [0,1,0,0,0,1|1,0,1]=4 535 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 AK-43945 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 AK161945 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.4 N#CC1=CC=C(CN(C)C)C=C1 AK107181 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.4 NNC1=CC=C(OC(C)C)C=C1 AK153556 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.20 CC(C)[C@@H](C1=CC=C(Br)C=C1)N AK684523 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 AK-87246 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.106 NC1=CC=C(CC(F)(F)F)C=C1 AK129530 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 AK101124 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.233 CC(OC1=CC=C(Br)C=C1Cl)C AK-61659 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.124 CC(Br)C(C1=CC=CC=C1Cl)=O AK208953 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.225 CC(C)C(C1=CC=CC(Br)=C1)=O AK105989 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.225 OC1=CC=CC(C(N(C)C)C)=C1 AK-32756 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 AK-51758 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.225 OC1=CC=CC([C@H](N(C)C)C)=C1 AK-36564 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.478 NC(=O)C(C#N)C1=CC=CC=C1 AK-95370 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.564 CC(C(C1=CC=CC=C1)N)(C)C AK-46103 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.564 CC(C)(C)[C@H](C1=CC=CC=C1)N AK167726 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.564 FC(F)(F)[C@H](N)C1=CC=CC=C1 AK-44313 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [0,2,0,0,0,0|0,0,0]=2 576 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [0,2,0,0,0,0|0,0,0]=2 577 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [0,2,0,0,0,0|0,0,0]=2 579 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.127 CC(OC1=CC(Br)=CC=C1Cl)C AK167908 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.127 NC1=CC=C(F)C=C1OC(C)C AK158053 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.151 NC1=CC=CC=C1NC(C)(C)C AK548921 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.151 NC1=CC=CC=C1SC(C)(C)C AK340253 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.151 O=S(C)(CC1=CC=CC=C1Br)=O AK343538 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.101 CC(OC1=CC(Br)=CC(Br)=C1)C AK-61451 [0,2,0,0,0,0|2,0,0]=4 591 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [1,0,0,1,0,0|1,0,0]=3 592 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [1,0,0,1,0,0|0,0,0]=2 593 B10R2.7 C12=C(NN=C1)C=CC=C2 AK-49124 [1,0,0,1,0,0|1,0,1]=4 594 B10R2.7 C12=CC=CC=C1N=CN2 AK109037 [1,0,0,1,0,0|1,0,1]=4 595 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [1,0,0,1,0,0|2,0,0]=4 596 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [1,0,0,1,0,0|1,0,0]=3 597 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [1,0,0,1,0,0|2,0,0]=4 598 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [1,0,0,1,0,0|1,0,0]=3 599 B10R2.7 C1NCC2=C1C=CN=C2 AK-49968 [1,0,0,1,0,0|2,0,0]=4 600 B10R2.7 C=12CNCC1C=CN=C2 AK-27368 [1,0,0,1,0,0|2,0,0]=4 601 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [1,0,0,1,0,0|1,0,0]=3 602 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [1,0,0,1,0,0|1,0,0]=3 603 B10R2.7 N1N=NC2=C1C=CC=C2 AK-44446 [1,0,0,1,0,0|2,0,0]=4 604 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|1,0,0]=3 605 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|1,0,1]=4 606 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,0,0,1,0,1|0,0,0]=2 607 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,1|1,0,1]=4 608 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,0,0,1,0,1|1,0,1]=4 609 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [0,0,0,1,0,1|1,0,0]=3 610 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,0,0,1,0,1|0,0,0]=2 611 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [0,0,0,1,0,1|1,0,0]=3 612 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,0,0,1,0,1|0,0,0]=2 613 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AK-78514 [0,0,0,1,0,1|0,0,0]=2 614 B12R2.24 NC1CNC2=CC=CC=C2C1 AK-68575 [0,0,0,1,0,1|0,0,0]=2 615 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,0,0,1,0,1|0,0,0]=2 616 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,0,0,1,0,1|0,0,0]=2 617 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,0,1|1,0,1]=4 618 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,0,0,1,0,1|1,0,1]=4 619 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,0,1|1,0,1]=4 620 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,0,1|1,0,0]=3 621 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 AK139225 [0,0,0,1,0,1|1,0,0]=3 622 B12R2.606 BrC1=CC=C2CC(=O)CC2=C1 AK-32489 [0,1,0,1,0,0|1,0,1]=4 623 B12R2.606 BrC1=CC=C2CC(CC2=C1)O AK-36598 [0,1,0,1,0,0|1,0,0]=3 624 B12R2.606 C1=C([NH]C2=CC=C(C=C12)C)C AK-32967 [0,1,0,1,0,0|0,0,2]=4 625 B12R2.606 C1=C2C(=CC=C1N)N=C([NH]2)C AK-26727 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.606 CC1=CC2=C(N1)C=C(Cl)C=C2 AK-49978 [0,1,0,1,0,0|0,0,2]=4 627 B12R2.606 CC1=CC2=C(N1)C=C(F)C=C2 AK-82140 [0,1,0,1,0,0|0,0,2]=4 628 B12R2.606 CC1=CC2=C(N1)C=C(O)C=C2 AK105293 [0,1,0,1,0,0|0,0,2]=4 629 B12R2.606 CC1=NC2=C(N1)C=CC(F)=C2 AK-88922 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.606 CC1=NC2=C(N1)C=CC(O)=C2 AK-99427 [0,1,0,1,0,0|1,0,1]=4 631 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 AK-32365 [0,1,0,1,0,0|1,0,1]=4 632 B12R2.606 CC1=NC2=CC(I)=CC=C2N1 AK155408 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.606 CC1NC2=C(C=C(F)C=C2)C1 AK-89513 [0,1,0,1,0,0|0,0,0]=2 634 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Br AK-25283 [0,1,0,1,0,0|0,0,2]=4 635 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Cl AK-32804 [0,1,0,1,0,0|0,0,2]=4 636 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br AK-67966 [0,1,0,1,0,0|0,0,2]=4 637 B12R2.606 FC1=CC=C2[NH]C(=CC2=C1)C AK-26800 [0,1,0,1,0,0|0,0,2]=4 638 B12R2.606 NC1=CC2=C(CN(C)C2)C=C1 AK173245 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.606 NC1=CC=C2NC(C)=NC2=C1 AK-28192 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 AK-34676 [0,1,0,1,0,0|0,0,0]=2 641 B12R2.606 NC1CC2=C(C=C(F)C=C2)C1 AK-32562 [0,1,0,1,0,0|0,0,0]=2 642 B12R2.606 NC1CC2=C(C=C(I)C=C2)C1 AK136096 [0,1,0,1,0,0|0,0,0]=2 643 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 AK154493 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)C1 AK-39225 [0,1,0,1,0,0|1,0,1]=4 645 B12R2.606 O=C1NC2=C(C=C(F)C=C2)C1 AK-23028 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.606 O=C1NC2=C(C=C(N)C=C2)C1 AK-37753 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)C1 AK-26491 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.606 O=C1NC2=C(C=CC(C)=C2)C1 AK-79359 [0,1,0,1,0,0|1,0,1]=4 649 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)C1 AK-29404 [0,1,0,1,0,0|1,0,1]=4 650 B12R2.606 O=C1NC2=C(C=CC(N)=C2)C1 AK-28791 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,1,0,1,0,0|0,0,2]=4 652 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,1,0,1,0,0|0,0,0]=2 653 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [0,1,0,1,0,0|1,0,0]=3 654 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.32 C1=CC=CC2=C1[NH]C(=N2)CN AK-35733 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.32 C1=CC=CC2=C1[NH]C(=N2)CO AK-27112 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,1,0,1,0,0|0,0,2]=4 659 B12R2.32 CCC1=NC2=CC=CC=C2N1 AK-31912 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.32 CNC1=NC2=C(N1)C=CC=C2 AK-95284 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [0,1,0,1,0,0|0,0,0]=2 662 B12R2.32 ClCC1=NC2=CC=CC=C2N1 AK-45696 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 AK-59651 [0,1,0,1,0,0|1,0,1]=4 664 B12R2.32 NCC1=NC2=CC=CC=C2N1 AK-39566 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.32 NCC=1NC2=C(C1)C=CC=C2 AK-27799 [0,1,0,1,0,0|0,0,2]=4 666 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [0,1,0,1,0,0|1,0,0]=3 667 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [0,1,0,1,0,0|0,0,2]=4 668 B12R2.95 O=S1(NC2=CC=CC=C2C1)=O AK158285 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.202 C1=C2NC(CC2=C(Br)C=C1)=O AK-39917 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br AK-80547 [0,1,0,1,0,0|1,0,1]=4 671 B12R2.202 CC=1NC2=C(C1)C(=CC=C2)Br AK-67965 [0,1,0,1,0,0|0,0,2]=4 672 B12R2.202 O=C1CC2=C(C(Cl)=CC=C2)C1 AK113491 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.202 O=C1NC2=C(C(C)=CC=C2)C1 AK-57812 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.202 O=C1NC2=C(C(Cl)=CC=C2)C1 AK-34054 [0,1,0,1,0,0|1,0,1]=4 675 B12R2.202 O=C1NC2=C(C(F)=CC=C2)C1 AK-33206 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.202 O=C1NC2=C(C(O)=CC=C2)C1 AK-58192 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.202 O=C1NC2=C(C=CC=C2Br)C1 AK-41628 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.202 O=C1NC2=C(C=CC=C2Cl)C1 AK-31070 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 AK-51558 [0,1,0,1,0,0|1,0,1]=4 680 B12R2.202 OC1=CC=CC2=C1C=C(C)N2 AK-23777 [0,1,0,1,0,0|0,0,2]=4 681 B12R2.202 OC1CC2=C(C(Br)=CC=C2)C1 AK146728 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,0,0,0,1,0|2,0,0]=4 683 B8R1.8 CCCC1=NC=CS1 AK-60893 [1,0,0,0,1,0|2,0,0]=4 684 B8R1.8 CCCN1C=CN=C1 AK111106 [1,0,0,0,1,0|2,0,0]=4 685 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,1,0|2,0,0]=4 686 B8R1.8 CNCC1=CSC=C1 AK-49561 [1,0,0,0,1,0|2,0,0]=4 687 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,0,0,0,1,0|1,0,0]=3 688 B8R1.8 NCCC1=CN=CS1 AK140134 [1,0,0,0,1,0|2,0,0]=4 689 B8R1.8 NCCC1=CNC=N1 AK-29414 [1,0,0,0,1,0|2,0,0]=4 690 B8R1.8 NCCC1=CSC=C1 AK-28310 [1,0,0,0,1,0|1,0,0]=3 691 B8R1.8 NCCC1=CSC=C1 AK-49962 [1,0,0,0,1,0|1,0,0]=3 692 B8R1.8 NCCC1=NC=CN1 AK170004 [1,0,0,0,1,0|2,0,0]=4 693 B8R1.8 NCCN1C=CC=C1 AK-34573 [1,0,0,0,1,0|1,0,0]=3 694 B8R1.8 NCCN1C=CN=C1 AK-26623 [1,0,0,0,1,0|2,0,0]=4 695 B8R1.8 NCCN1C=CN=C1 AK-33443 [1,0,0,0,1,0|2,0,0]=4 696 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,1,0|2,0,0]=4 697 B8R1.8 OCCC1=CSC=C1 AK-68259 [1,0,0,0,1,0|2,0,0]=4 698 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,0,0,0,2,0|2,0,0]=4 699 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [0,0,0,0,2,0|2,0,0]=4 700 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [0,0,0,0,2,0|2,0,0]=4 701 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [0,0,0,0,2,0|2,0,0]=4 702 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,0,0,0,2,0|1,0,0]=3 703 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,0,0,0,2,0|1,0,0]=3 704 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [0,0,0,0,2,0|2,0,0]=4 705 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,0,0,0,0,2|2,0,0]=4