0 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 O=C(N)NC1=NC=CN=C1 AK321494 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,0,0,0,0,0|0,0,4]=4 17 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [0,0,0,0,0,0|2,1,0]=3 21 B10R1.18 S=C(N)NC1=NC=CC=C1 AK158972 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,1,0,0,0,0|0,0,0]=1 54 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 AK-43706 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [0,1,0,0,0,0|2,1,0]=4 63 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,1,0,0,0,0|0,0,0]=1 64 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,1,0,0,0,0|0,0,0]=1 66 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,1,0,0,0,0|0,0,0]=1 70 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,1,0,0,0,0|1,0,1]=3 73 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,1,0,0,0,0|0,0,0]=1 78 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.40 ClCC(=O)NC1=CC=NC=C1 AK109595 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.40 O=C(NC1=NC=CC=C1)CCl AK-32350 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [0,1,0,0,0,0|0,0,0]=1 108 B11R1.86 NC1=NC=CC=C1CC(O)=O AK-68736 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.86 O=C(O)CC1=CC=CN=C1Cl AK139178 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.86 O=C(O)CC1=NC=CC=C1Cl AK-88771 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 AK-41020 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.157 CC(NC1=NC=CC(Cl)=C1)=O AK-29058 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.157 ClC1=CN=CC(=N1)CC(=O)O AK-26671 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.157 ClC1=NC=CC(=C1)NC(C)=O AK-28783 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 AK113021 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.157 O=C(O)CC1=CC(N)=NC=C1 AK548242 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [0,1,0,0,0,0|0,0,0]=1 136 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.509 CS(=O)(NC1=CC=CC=C1)=O AK-51764 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.509 F[B-](F)(CC1=CC=CC=C1)F AK105357 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.509 O=S(CC1=CC=CC=C1)(N)=O AK-32283 [0,1,0,0,0,0|1,0,1]=3 147 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,0|2,0,1]=4 148 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 AK-35557 [0,0,0,1,0,0|1,1,1]=4 149 B11R2.10 BrC1=NC2=C(N1)C=CC=C2 AK-35600 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [0,0,0,1,0,0|2,0,1]=4 151 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [0,0,0,1,0,0|2,0,0]=3 152 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [0,0,0,1,0,0|2,0,0]=3 153 B11R2.10 C1=CC=CC2=C1N=C(Cl)S2 AK-44922 [0,0,0,1,0,0|2,1,0]=4 154 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [0,0,0,1,0,0|1,1,0]=3 155 B11R2.10 C1=CC=CC2=C1SC(=N2)Br AK-27048 [0,0,0,1,0,0|2,1,0]=4 156 B11R2.10 C1=CC=NC2=C1OC(N2)=O AK-28047 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [0,0,0,1,0,0|1,1,1]=4 158 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,0,0|2,0,0]=3 159 B11R2.10 CC1=NC2=C(S1)C=CC=C2 AK-45781 [0,0,0,1,0,0|2,1,0]=4 160 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [0,0,0,1,0,0|3,0,0]=4 161 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [0,0,0,1,0,0|2,0,0]=3 162 B11R2.10 CC1=NC2=NC=CC=C2O1 AK-30675 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.10 ClC1=NC2=CC=CC=C2N1 AK-26782 [0,0,0,1,0,0|3,0,0]=4 164 B11R2.10 ClC1=NC2=NC=CC=C2O1 AK170313 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [0,0,0,1,0,0|2,0,1]=4 166 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [0,0,0,1,0,0|2,0,1]=4 167 B11R2.10 IC1=NC2=C(S1)C=CC=C2 AK-24182 [0,0,0,1,0,0|2,1,0]=4 168 B11R2.10 N1C2=CC=CN=C2NC1=O AK-24800 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [0,0,0,1,0,0|1,1,1]=4 171 B11R2.10 NC1=NC2=C(O1)C=CN=C2 AK-80598 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.10 NC1=NC2=CC=CC=C2N1 AK-54965 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.10 NC1=NC2=CC=CC=C2O1 AK-35247 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.10 NC1=NC2=CC=CC=C2S1 AK-41354 [0,0,0,1,0,0|2,1,0]=4 175 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [0,0,0,1,0,0|2,0,1]=4 176 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [0,0,0,1,0,0|2,0,0]=3 177 B11R2.10 O=C1N=C2C=CC=CN2C1 AK-80162 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [0,0,0,1,0,0|2,0,0]=3 179 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [0,0,0,1,0,0|1,0,0]=2 180 B11R2.10 O=C1NC2=C(N1)C=NC=C2 AK161520 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.10 O=C1NN2C=CC=CC2=C1 AK-89755 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,0,0,1,0,0|0,0,0]=1 183 B11R2.10 O=C1SC2=CC=CN=C2N1 AK438250 [0,0,0,1,0,0|2,1,0]=4 184 B11R2.10 OC1=CC2=C(N1)N=CC=C2 AK103904 [0,0,0,1,0,0|2,0,1]=4 185 B11R2.10 OC1=CN2C=CC=CC2=N1 AK-88442 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.10 OC1=NC2=CC=CC=C2O1 AK-35787 [0,0,0,1,0,0|1,0,1]=3 187 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [0,0,0,1,0,0|1,0,1]=3 188 B11R2.10 S=C1OC2=CC=CN=C2N1 AK-32376 [0,0,0,1,0,0|2,1,0]=4 189 B11R2.10 S=C1SC2=CC=CC=C2N1 AK-47877 [0,0,0,1,0,0|1,2,0]=4 190 B11R2.10 SC1=NC2=CC=CC=C2O1 AK161762 [0,0,0,1,0,0|1,1,0]=3 191 B11R2.10 SC1=NC2=NC=CC=C2O1 AK-49565 [0,0,0,1,0,0|2,1,0]=4 192 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,0,0,0,1,0|2,0,0]=3 193 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,0,0,1,0|2,0,0]=3 194 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,0,0,0,1,0|2,0,0]=3 195 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [0,0,0,0,1,0|1,0,1]=3 196 B9R1.6 C1=C(C=CN=C1)B(O)O AK-26762 [0,0,0,0,1,0|2,0,1]=4 197 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,0,0,0,1,0|3,0,0]=4 198 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [0,0,0,0,1,0|2,0,0]=3 199 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [0,0,0,0,1,0|2,0,0]=3 200 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [0,0,0,0,1,0|2,0,0]=3 201 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [0,0,0,0,1,0|2,0,0]=3 202 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,0,0,0,1,0|3,0,0]=4 203 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [0,0,0,0,1,0|3,0,0]=4 204 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,0,0,0,1,0|3,0,0]=4 205 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [0,0,0,0,1,0|3,0,0]=4 206 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,0,0,0,1,0|3,0,0]=4 207 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [0,0,0,0,1,0|2,0,1]=4 208 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [0,0,0,0,1,0|2,0,1]=4 209 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,0,0,0,1,0|1,0,1]=3 210 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [0,0,0,0,1,0|2,0,1]=4 211 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [0,0,0,0,1,0|2,0,1]=4 212 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [0,0,0,0,1,0|2,0,1]=4 213 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [0,0,0,0,1,0|2,1,0]=4 214 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [0,0,0,0,1,0|2,0,0]=3 216 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [0,0,0,0,1,0|3,0,0]=4 218 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [0,0,0,0,1,0|3,0,0]=4 220 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [0,0,0,0,1,0|3,0,0]=4 221 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [0,0,0,0,1,0|2,0,0]=3 222 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [0,0,0,0,1,0|3,0,0]=4 223 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [0,0,0,0,1,0|1,1,0]=3 224 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,0,0,0,1,0|2,0,0]=3 225 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,0,0,0,1,0|1,0,0]=2 226 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,0,0,0,1,0|2,0,0]=3 227 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,0,0,0,1,0|1,0,0]=2 229 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,0,0,1,0|1,0,0]=2 230 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [0,0,0,0,1,0|1,0,1]=3 231 B9R1.6 OB(C1=CC=CN=C1)O AK-26799 [0,0,0,0,1,0|2,0,1]=4 232 B9R1.6 OB(C1=NC=CC=C1)O AK-26642 [0,0,0,0,1,0|2,0,1]=4 233 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [0,0,0,0,1,0|1,0,0]=2 234 B9R1.13 C1=NC=C[N]1CC(=O)O AK-46385 [0,0,0,0,1,0|2,0,0]=3 235 B9R1.13 CC(NC1=CSC=C1)=O AK-78788 [0,0,0,0,1,0|3,0,0]=4 236 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,0,0,0,1,0|2,0,0]=3 237 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,0,0,0,1,0|1,0,0]=2 238 B9R1.13 O=C(O)CC1=CN=CN1 AK-35977 [0,0,0,0,1,0|2,0,0]=3 239 B9R1.13 O=C(O)CC1=NNC=C1 AK153425 [0,0,0,0,1,0|2,0,0]=3 240 B9R1.13 O=C(O)CN1C=CN=C1 AK-26379 [0,0,0,0,1,0|2,0,0]=3 241 B9R1.13 O=C(O)CN1N=CC=N1 AK-35148 [0,0,0,0,1,0|3,0,0]=4 242 B11R1.91 CC(NCC1=CN=CN=C1)=O AK147247 [0,0,0,0,0,1|3,0,0]=4 243 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,0,1|1,0,1]=3 244 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,0,0,0,0,1|2,0,0]=3 245 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,0,1|1,0,0]=2 246 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,0,0,0,0,1|1,0,0]=2 247 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,0,1|1,0,0]=2 248 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,0,0,0,0,1|1,0,1]=3 249 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [0,0,0,0,0,1|0,0,1]=2 250 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,0,0,0,0,1|0,0,0]=1 251 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,0,0,0,0,1|1,0,0]=2 252 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,0,0,0,0,1|1,0,0]=2 253 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,0,0,0,0,1|0,0,1]=2 254 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [0,0,0,0,0,1|1,0,1]=3 255 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [0,0,0,0,0,1|1,0,1]=3 256 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,0,0,0,0,1|0,0,1]=2 257 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,0,0,0,0,1|1,0,1]=3 258 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,0,0,0,0,1|0,0,0]=1 259 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,0,0,0,0,1|1,0,0]=2 260 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [0,0,0,0,0,1|0,0,2]=3 261 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AK111240 [0,0,0,0,0,1|1,0,2]=4 262 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|1,0,1]=4 267 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 269 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 NCC1=CC=NC=C1 AK-25866 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 NCC1=CC=NC=C1 AK-50006 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.2 OCC1=CN=CN=C1 AK-32022 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.2 OCC1=NC=CC=N1 AK-25156 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 OCC1=NC=NC=C1 AK-31889 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,0]=3 284 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|0,0,1]=3 286 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|0,0,1]=3 291 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|0,0,1]=3 292 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|0,0,1]=3 299 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|0,0,1]=3 301 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|0,0,1]=3 305 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [1,1,0,0,0,0|0,0,1]=3 316 B10R1.4 C1=C(C(=CC=C1)CC#N)Br AK-45669 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.4 CC1=CC=CC=C1CCO AK117334 [1,1,0,0,0,0|0,0,1]=3 318 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.4 N#CCC1=CC=CC=C1F AK-48152 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.4 N#CCC1=CC=CC=C1N AK-88479 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.4 OC1=CC=CC=C1CCN AK114741 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.4 OCCC1=CC=CC=C1I AK149280 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [1,1,0,0,0,0|0,0,1]=3 335 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [1,1,0,0,0,0|0,0,1]=3 337 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [1,1,0,0,0,0|0,0,1]=3 341 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.10 N#CCC1=CC=CC(N)=C1 AK-76735 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [1,1,0,0,0,0|0,0,1]=3 352 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,1,0,0,0,0|0,0,1]=3 360 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|0,0,2]=4 364 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,1,0,0,0,0|0,0,1]=3 366 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [1,1,0,0,0,0|0,0,1]=3 370 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,1,0,0,0,0|0,0,1]=3 376 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,1,0,0,1,0|2,0,0]=4 390 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [0,1,0,0,1,0|1,0,1]=4 391 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [0,1,0,0,1,0|2,0,0]=4 392 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [0,1,0,0,1,0|1,0,1]=4 393 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [0,1,0,0,1,0|1,0,1]=4 394 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [0,1,0,0,1,0|1,0,1]=4 395 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [0,1,0,0,1,0|1,0,0]=3 396 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,1,0,0,1,0|1,0,0]=3 398 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,1,0,0,1,0|1,0,0]=3 399 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,1,0,0,1,0|0,0,0]=2 400 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,1,0,0,1,0|0,0,0]=2 401 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,1,0,0,1,0|1,0,0]=3 402 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,1,0,0,1,0|2,0,0]=4 403 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [0,1,0,0,1,0|1,0,0]=3 404 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [0,1,0,0,1,0|2,0,0]=4 405 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,1,0,0,1,0|1,0,0]=3 407 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,1,0,0,1,0|1,0,0]=3 411 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,1,0,0,1,0|2,0,0]=4 415 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [0,1,0,0,1,0|1,0,1]=4 416 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [0,1,0,0,1,0|1,0,1]=4 417 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [0,1,0,0,1,0|1,0,0]=3 418 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [0,1,0,0,1,0|2,0,0]=4 419 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [0,1,0,0,1,0|1,0,1]=4 420 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [0,1,0,0,1,0|1,0,1]=4 421 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,1,0,0,1,0|1,0,1]=4 422 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,1,0,0,1,0|2,0,0]=4 424 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [0,1,0,0,1,0|1,0,0]=3 425 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [0,1,0,0,1,0|1,0,0]=3 427 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [0,1,0,0,1,0|1,0,1]=4 428 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [0,1,0,0,1,0|2,0,0]=4 429 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [0,1,0,0,1,0|2,0,0]=4 431 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,1,0,0,1,0|1,0,0]=3 434 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [0,1,0,0,1,0|1,0,1]=4 435 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [0,1,0,0,1,0|1,0,1]=4 436 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [0,1,0,0,1,0|1,0,0]=3 437 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [0,1,0,0,1,0|2,0,0]=4 438 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [0,1,0,0,1,0|2,0,0]=4 443 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [0,1,0,0,1,0|2,0,0]=4 444 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [0,1,0,0,1,0|2,0,0]=4 445 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [0,1,0,0,1,0|1,0,0]=3 446 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [0,1,0,0,1,0|2,0,0]=4 457 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,1,0,0,1,0|0,0,0]=2 460 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,1,0,0,1,0|0,0,0]=2 461 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,1,0,0,1,0|0,0,0]=2 462 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,1,0,0,1,0|0,0,0]=2 463 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,1,0,0,1,0|0,0,0]=2 464 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,1,0,0,1,0|1,0,0]=3 465 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [0,1,0,0,1,0|1,0,0]=3 466 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [0,1,0,0,1,0|1,0,0]=3 467 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [0,1,0,0,1,0|1,0,0]=3 468 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [0,1,0,0,1,0|0,0,1]=3 469 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [0,1,0,0,1,0|0,0,1]=3 470 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [0,1,0,0,1,0|1,0,0]=3 471 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [0,1,0,0,1,0|1,0,0]=3 472 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [0,1,0,0,1,0|1,0,1]=4 473 B10R1.13 O=S(C1=CC=C(F)C=C1)[O-] AK114760 [0,1,0,0,1,0|1,0,1]=4 474 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [0,1,0,0,1,0|1,0,1]=4 476 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [0,1,0,0,1,0|1,0,0]=3 477 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [0,1,0,0,1,0|1,1,0]=4 480 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [0,1,0,0,1,0|2,0,0]=4 481 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.28 C1=C([S](O)(=O)=O)C=CC=C1 AK-51336 [0,1,0,0,1,0|1,0,0]=3 483 B10R1.28 O=S(C1=CC=CC=C1)(N)=O AK-77414 [0,1,0,0,1,0|1,0,1]=4 484 B10R1.28 O=S(C1=CC=CN=C1)(O)=O AK-47361 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.61 BrC1=C(C(=O)N)C=CN=C1 AK-29834 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.61 BrC1=C(C=CN=C1)C(=O)O AK-23517 [0,1,0,0,1,0|1,0,0]=3 487 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [0,1,0,0,1,0|1,0,0]=3 488 B10R1.61 BrC1=CN=CN=C1C(=O)O AK-23815 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.61 BrC1=NC=CN=C1C(=O)O AK-30736 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.61 C1=C(C(=CC=C1)B(O)O)O AK-45876 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.61 C1=C(C(=NC=C1)Cl)C(N)=O AK-39181 [0,1,0,0,1,0|2,0,0]=4 492 B10R1.61 C1=C(C(=NC=C1)Cl)C(O)=O AK-27015 [0,1,0,0,1,0|1,0,0]=3 493 B10R1.61 C1=C(C(=NC=C1)F)C(O)=O AK-25163 [0,1,0,0,1,0|1,0,0]=3 494 B10R1.61 C1=CC=CC(=C1B(O)O)Br AK-34317 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.61 C1=CC=CC(=C1B(O)O)C AK-33581 [0,1,0,0,1,0|1,0,1]=4 496 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [0,1,0,0,1,0|1,0,0]=3 497 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [0,1,0,0,1,0|1,0,0]=3 498 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [0,1,0,0,1,0|0,0,0]=2 499 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [0,1,0,0,1,0|1,0,0]=3 500 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.61 C1=CN=C(C(=C1)C(=O)N)F AK-25200 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.61 C1=CN=C(C(=N1)C(O)=O)N AK-16902 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.61 C1=CN=CC(=C1C(=O)O)F AK-25903 [0,1,0,0,1,0|1,0,0]=3 504 B10R1.61 C1=NC=CC(=C1C(O)=O)C AK-34679 [0,1,0,0,1,0|1,0,0]=3 505 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [0,1,0,0,1,0|1,0,0]=3 506 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [0,1,0,0,1,0|2,0,0]=4 509 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,1,0,0,1,0|1,0,0]=3 511 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [0,1,0,0,1,0|2,0,0]=4 516 B10R1.61 CC1=C(C(=O)N)C=CC=N1 AK-39636 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.61 CC1=C(C(=O)O)C=CC=N1 AK-25768 [0,1,0,0,1,0|1,0,0]=3 518 B10R1.61 CC1=C(C=NC=N1)C(O)=O AK-32530 [0,1,0,0,1,0|2,0,0]=4 519 B10R1.61 CC1=NC=CN=C1C(=O)O AK-25946 [0,1,0,0,1,0|2,0,0]=4 520 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [0,1,0,0,1,0|1,0,1]=4 521 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [0,1,0,0,1,0|1,0,1]=4 522 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [0,1,0,0,1,0|1,0,1]=4 523 B10R1.61 ClC1=C(C(=O)O)C=CN=C1 AK-26411 [0,1,0,0,1,0|1,0,0]=3 524 B10R1.61 ClC1=C(C=CC=C1)B(O)O AK-34973 [0,1,0,0,1,0|1,0,1]=4 525 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [0,1,0,0,1,0|1,0,0]=3 526 B10R1.61 ClC1=CC=NC=C1C(=O)O AK-25252 [0,1,0,0,1,0|1,0,0]=3 527 B10R1.61 ClC1=NC=CN=C1C(=O)O AK-24100 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.61 FC1=C(C(=N)N)C=CC=C1 AK-16801-8 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [0,1,0,0,1,0|1,0,0]=3 531 B10R1.61 FC1=CC=CC=C1B(O)O AK-45733 [0,1,0,0,1,0|1,0,1]=4 532 B10R1.61 NC1=C(C=CN=N1)C(=O)O AK-24603 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.61 NC1=C(C=NC=C1)C(=O)N AK-29493 [0,1,0,0,1,0|2,0,0]=4 534 B10R1.61 NC1=C(C=NC=C1)C(O)=O AK-27731 [0,1,0,0,1,0|1,0,0]=3 535 B10R1.61 NC1=CC=CC=C1B(O)O AK-77788 [0,1,0,0,1,0|1,0,1]=4 536 B10R1.61 O=C(C1=CN=CN=C1N)O AK-34045 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.61 O=C(C1=CN=CNC1=O)O AK-39341 [0,1,0,0,1,0|2,0,0]=4 538 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [0,1,0,0,1,0|1,0,0]=3 539 B10R1.61 O=C(C1=NC=CN=C1I)O AK-30598 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.61 O=C(C1=NC=CNC1=O)O AK-30536 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.61 O=C(C1=NC=NC=C1C)O AK140920 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [0,1,0,0,1,0|1,0,0]=3 543 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [0,1,0,0,1,0|1,0,0]=3 544 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [0,1,0,0,1,0|1,0,0]=3 545 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [0,1,0,0,1,0|1,0,0]=3 547 B10R1.61 O=C(N)C1=CC=NC=C1C AK-29933 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.61 O=C(N)C1=CC=NC=C1N AK-77290 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.61 O=C(N)C1=NC=CC=C1C AK-48603 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.61 O=C(N)C1=NC=CC=C1N AK-35369 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.61 O=C(O)C1=C(N)N=CC=C1 AK-26982 [0,1,0,0,1,0|1,0,0]=3 552 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AK-48961 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [0,1,0,0,1,0|0,0,0]=2 554 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [0,1,0,0,1,0|0,0,0]=2 555 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [0,1,0,0,1,0|0,0,0]=2 556 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [0,1,0,0,1,0|0,0,0]=2 557 B10R1.61 O=C(O)C1=CC=NC=C1C AK-30383 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.61 O=C(O)C1=CC=NC=C1N AK-23678 [0,1,0,0,1,0|1,0,0]=3 559 B10R1.61 O=C(O)C1=CC=NC=C1O AK-23523 [0,1,0,0,1,0|1,0,0]=3 560 B10R1.61 O=C(O)C1=CN=CC=C1Br AK-25100 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.61 O=C(O)C1=CN=CC=C1C AK-75600 [0,1,0,0,1,0|1,0,0]=3 562 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [0,1,0,0,1,0|1,0,0]=3 563 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.61 O=C1C(=CC=CN1)C(O)=O AK-47329 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.61 O=C1C(=CNC=C1)C(=O)O AK-26174 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.61 OB(C1=CC=CC=C1N)O AK-35638 [0,1,0,0,1,0|1,0,1]=4 569 B10R1.61 OC(=O)C1=CC=CN=C1Br AK-25846 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.61 OC(=O)C1=CC=NNC1=O AK-89567 [0,1,0,0,1,0|2,0,0]=4 571 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [0,1,0,0,1,0|0,0,0]=2 573 B10R1.61 [O-]C1=CC=CC=C1[N+]([O-])=O AK135512 [0,1,0,0,1,0|1,0,1]=4 574 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,1,0,0,1,0|1,0,0]=3 578 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [0,1,0,0,1,0|1,0,0]=3 579 B10R1.113 C1=C(C=CC=C1Br)B(O)O AK-23693 [0,1,0,0,1,0|1,0,1]=4 580 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [0,1,0,0,1,0|0,0,0]=2 581 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [0,1,0,0,1,0|0,0,0]=2 582 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [0,1,0,0,1,0|2,0,0]=4 583 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [0,1,0,0,1,0|1,0,0]=3 584 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [0,1,0,0,1,0|1,0,0]=3 585 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [0,1,0,0,1,0|1,0,0]=3 587 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [0,1,0,0,1,0|1,0,0]=3 588 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [0,1,0,0,1,0|2,0,0]=4 589 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [0,1,0,0,1,0|2,0,0]=4 590 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [0,1,0,0,1,0|2,0,0]=4 592 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,1,0,0,1,0|2,0,0]=4 593 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [0,1,0,0,1,0|2,0,0]=4 594 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,1,0,0,1,0|2,0,0]=4 597 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,1,0,0,1,0|2,0,0]=4 600 B10R1.113 CC1=CC(B(O)O)=CC=C1 AK-41078 [0,1,0,0,1,0|1,0,1]=4 601 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [0,1,0,0,1,0|2,0,0]=4 602 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,1,0,0,1,0|2,0,0]=4 603 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [0,1,0,0,1,0|1,0,0]=3 604 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [0,1,0,0,1,0|1,0,1]=4 607 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [0,1,0,0,1,0|1,0,1]=4 608 B10R1.113 ClC1=CC=CC(=C1)B(O)O AK-47360 [0,1,0,0,1,0|1,0,1]=4 609 B10R1.113 ClC1=NC=CC(=N1)C(=O)O AK-28365 [0,1,0,0,1,0|2,0,0]=4 610 B10R1.113 FC1=CC(B(O)O)=CC=C1 AK-45904 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.113 IC1=CC=CC(=C1)B(O)O AK-45910 [0,1,0,0,1,0|1,0,1]=4 612 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 AK-16801-7 [0,1,0,0,1,0|2,0,0]=4 613 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,1,0,0,1,0|1,0,0]=3 614 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [0,1,0,0,1,0|2,0,0]=4 617 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [0,1,0,0,1,0|2,0,0]=4 618 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [0,1,0,0,1,0|1,0,0]=3 619 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [0,1,0,0,1,0|1,0,0]=3 620 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.113 O=C(C1=NC(Br)=NC=C1)O AK145986 [0,1,0,0,1,0|2,0,0]=4 622 B10R1.113 O=C(C1=NC(N)=NC=C1)O AK-65335 [0,1,0,0,1,0|2,0,0]=4 623 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [0,1,0,0,1,0|1,0,0]=3 627 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [0,1,0,0,1,0|1,0,0]=3 628 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [0,1,0,0,1,0|1,0,0]=3 629 B10R1.113 O=C(N)C1=NC=CC(N)=C1 AK103735 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [0,1,0,0,1,0|0,0,0]=2 631 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,1,0,0,1,0|0,0,0]=2 632 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [0,1,0,0,1,0|0,0,0]=2 633 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [0,1,0,0,1,0|0,0,0]=2 634 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [0,1,0,0,1,0|0,0,0]=2 635 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [0,1,0,0,1,0|1,0,0]=3 636 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [0,1,0,0,1,0|1,0,0]=3 637 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [0,1,0,0,1,0|1,0,0]=3 638 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [0,1,0,0,1,0|1,0,0]=3 639 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [0,1,0,0,1,0|1,0,0]=3 640 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [0,1,0,0,1,0|1,0,0]=3 641 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [0,1,0,0,1,0|1,0,0]=3 642 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [0,1,0,0,1,0|1,0,0]=3 643 B10R1.113 O=C1NC(=CC=N1)C(=O)O AK-30175 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.113 O=C1NN=CC(=C1)C(=O)O AK-26372 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-27034 [0,1,0,0,1,0|1,0,1]=4 646 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-43360 [0,1,0,0,1,0|1,0,1]=4 647 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-44816 [0,1,0,0,1,0|1,0,1]=4 648 B10R1.113 OB(C1=CC=CC(O)=C1)O AK-44803 [0,1,0,0,1,0|1,0,1]=4 649 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [0,1,0,0,1,0|1,0,0]=3 651 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [0,1,0,0,1,0|2,0,0]=4 653 B10R1.23 NC(C(O)=O)C1=CSC=C1 AK-34933 [0,1,0,0,1,0|1,0,0]=3 654 B10R1.23 O=C(O)[C@@H](N)C1=CSC=C1 AK117277 [0,1,0,0,1,0|1,0,0]=3 655 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,1,0,0,1,0|1,0,0]=3 656 B10R1.54 O=C(O)CC1=CSC(N)=N1 AK-92955 [0,1,0,0,1,0|2,0,0]=4 657 B10R1.54 O=C(O)CC1=NNC(N)=C1 AK-33707 [0,1,0,0,1,0|2,0,0]=4 658 B10R1.54 O=C(O)CN1N=CC(Br)=C1 AK124568 [0,1,0,0,1,0|2,0,0]=4 659 B10R1.54 O=C(O)CN1N=CC(C)=C1 AK121453 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.54 O=C(O)CN1N=CC(Cl)=C1 AK121290 [0,1,0,0,1,0|2,0,0]=4 661 B10R1.64 O=C(SC1=C(C)OC=C1)O AK307418 [0,1,0,0,1,0|2,0,0]=4 662 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,1,0,0,0,1|0,0,1]=3 663 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,1,0,0,0,1|0,0,0]=2 664 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [0,1,0,0,0,1|0,0,1]=3 667 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,1,0,0,0,1|0,0,0]=2 668 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,1,0,0,0,1|0,0,0]=2 669 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,1,0,0,0,1|0,0,0]=2 670 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,1,0,0,0,1|1,0,0]=3 671 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,1,0,0,0,1|0,0,0]=2 672 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,1,0,0,0,1|0,0,0]=2 673 B12R1.21 O=C(O)COC1=NC=C(Br)C=N1 AK-25205 [0,1,0,0,0,1|2,0,0]=4 674 B12R1.21 O=C(O)CSC1=NC=C(Br)C=N1 AK-25206 [0,1,0,0,0,1|2,0,0]=4 675 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 AK-86690 [0,1,0,0,0,1|1,0,1]=4 676 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,1,0,0,0,1|0,0,1]=3 677 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,1,0,0,0,1|0,0,1]=3 678 B12R1.21 OC(=O)C=CC1=CC=C(Br)N=C1 AK-80564 [0,1,0,0,0,1|1,0,1]=4 679 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,1,0,0,0,1|0,0,1]=3 680 B12R1.21 OC(=O)C=CC1=NC=C(F)C=C1 AK103268 [0,1,0,0,0,1|1,0,1]=4 681 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,1,0,0,0,1|0,0,0]=2 682 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,1,0,0,0,1|1,0,1]=4 683 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,1,0,0,0,1|1,0,0]=3 684 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,1,0,0,0,1|1,0,0]=3 685 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,1,0,0,0,1|0,0,0]=2 686 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,1,0,0,0,1|0,0,1]=3 687 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,1,0,0,0,1|1,0,0]=3 688 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,1,0,0,0,1|1,0,0]=3 689 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,1,0,0,0,1|1,0,0]=3 690 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,1,0,0,0,1|0,0,0]=2 691 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,1,0,0,0,1|0,0,0]=2 692 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,1,0,0,0,1|1,0,0]=3 693 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,0,1|0,0,0]=2 694 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,1,0,0,0,1|0,0,0]=2 695 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,0,1|1,0,0]=3 696 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,1,0,0,0,1|1,0,0]=3 697 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,0,1|0,0,0]=2 698 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,1,0,0,0,1|1,0,0]=3 699 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,1,0,0,0,1|1,0,0]=3 700 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,0,1|1,0,0]=3 701 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,1,0,0,0,1|1,0,0]=3 702 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,1,0,0,0,1|1,0,0]=3 703 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,1,0,0,0,1|1,0,0]=3 704 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,1,0,0,0,1|1,0,0]=3 705 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,0,1|0,0,0]=2 706 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,0,1|0,0,0]=2 707 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,1,0,0,0,1|1,0,0]=3 708 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,1,0,0,0,1|0,0,1]=3 709 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,0,1|0,0,0]=2 710 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,0,1|1,0,0]=3 711 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,1,0,0,0,1|0,0,0]=2 712 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,1,0,0,0,1|1,0,0]=3 713 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,1,0,0,0,1|1,0,1]=4 714 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,0,1|1,0,0]=3 715 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,1,0,0,0,1|0,0,0]=2 716 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,1,0,0,0,1|0,0,0]=2 717 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [0,1,0,0,0,1|1,0,0]=3 718 B12R1.107 O=C(O)CN(C)C1=NC=CC=C1 AK132907 [0,1,0,0,0,1|1,0,0]=3 719 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,1,0,0,0,1|0,0,0]=2 720 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,1,0,0,0,1|0,0,0]=2 721 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,1,0,0,0,1|0,0,0]=2 722 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,1,0,0,0,1|0,0,0]=2 723 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [0,1,0,0,0,1|1,0,0]=3 724 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,1,0,0,0,1|0,0,0]=2 725 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,1,0,0,0,1|1,0,0]=3 726 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,1,0,0,0,1|0,0,0]=2 727 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,1,0,0,0,1|0,0,0]=2 728 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [0,1,0,0,0,1|0,0,0]=2 729 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [0,1,0,0,0,1|0,0,1]=3 730 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [0,1,0,0,0,1|0,0,0]=2 731 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [0,1,0,0,0,1|0,0,0]=2 732 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,1,0,0,0,1|0,0,0]=2 733 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [0,1,0,0,0,1|0,0,0]=2 734 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [0,1,0,0,0,1|0,0,0]=2 735 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [0,1,0,0,0,1|0,0,1]=3 736 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [0,1,0,0,0,1|0,0,1]=3 737 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [0,1,0,0,0,1|0,0,1]=3 738 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [0,1,0,0,0,1|0,0,0]=2 739 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [0,1,0,0,0,1|1,0,1]=4 740 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [0,2,0,0,0,0|0,0,0]=2 742 B12R1.4 CC(NC1=CC=C(C#N)C=C1)=O AK-80147 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 AK-59632 [0,2,0,0,0,0|0,0,0]=2 747 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [0,2,0,0,0,0|0,0,0]=2 748 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AK135016 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [0,2,0,0,0,0|0,0,0]=2 750 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)F AK-36941 [0,2,0,0,0,0|0,0,0]=2 751 B12R1.19 BrC1=C(C=CC(=C1)CC(=O)O)F AK-33922 [0,2,0,0,0,0|0,0,0]=2 752 B12R1.19 C1=C(C=CC(=C1Cl)Cl)CC(O)=O AK-47326 [0,2,0,0,0,0|0,0,0]=2 753 B12R1.19 C1=C(C=CC(=C1Cl)Cl)NC(N)=O AK-32560 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.19 C1=C(C=CC(=C1Cl)O)NC(C)=O AK-39312 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.19 CC(NC1=CC=C(O)C(C)=C1)=O AK147875 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.19 CC1=C(F)C=C(CC(O)=O)C=C1 AK-34427 [0,2,0,0,0,0|0,0,0]=2 757 B12R1.19 NC1=C(F)C=C(CC(O)=O)C=C1 AK-35348 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.19 O=C(O)CC1=CC=C(Br)C(C)=C1 AK-94397 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 AK119698 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 AK-39619 [0,2,0,0,0,0|0,0,0]=2 761 B12R1.19 O=C(O)CC1=CC=C(N)C(C)=C1 AK151433 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 AK-35250 [0,2,0,0,0,0|0,0,0]=2 763 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 AK-45471 [0,2,0,0,0,0|0,0,0]=2 764 B12R1.19 OC(=O)CC1=CC(Br)=C(O)C=C1 AK-34961 [0,2,0,0,0,0|0,0,0]=2 765 B12R1.19 OC(=O)CC1=CC(F)=C(F)C=C1 AK-41956 [0,2,0,0,0,0|0,0,0]=2 766 B12R1.20 CC(C1=CC=C(C)C=C1)C(O)=O AK-36931 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br AK-36176 [0,2,0,0,0,0|0,0,0]=2 768 B12R1.20 NC(C(O)=O)C1=CC=C(O)C=C1 AK-44146 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.20 O=C(O)C(N)C1=CC=C(C)C=C1 AK-44517 [0,2,0,0,0,0|0,0,0]=2 770 B12R1.20 O=C(O)C(N)C1=CC=C(Cl)C=C1 AK-47447 [0,2,0,0,0,0|0,0,0]=2 771 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [0,2,0,0,0,0|0,0,0]=2 772 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(Cl)C=C1 AK-45149 [0,2,0,0,0,0|0,0,0]=2 773 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(F)C=C1 AK-33958 [0,2,0,0,0,0|0,0,0]=2 774 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(O)C=C1 AK-28583 [0,2,0,0,0,0|0,0,0]=2 775 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O AK-87117 [0,2,0,0,0,0|0,0,0]=2 776 B12R1.20 O=C(O)[C@H](N)C1=CC=C(Cl)C=C1 AK-44673 [0,2,0,0,0,0|0,0,0]=2 777 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-45454 [0,2,0,0,0,0|0,0,0]=2 778 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-50779 [0,2,0,0,0,0|0,0,0]=2 779 B12R1.20 O=C(O)[C@H](N)C1=CC=C(N)C=C1 AK484894 [0,2,0,0,0,0|0,0,0]=2 780 B12R1.20 O=C(O)[C@H](N)C1=CC=C(O)C=C1 AK-76523 [0,2,0,0,0,0|0,0,0]=2 781 B12R1.20 OC(C([O-])=O)C1=CC=C(O)C=C1 AK104635 [0,2,0,0,0,0|0,0,1]=3 782 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,2,0,0,0,0|0,0,0]=2 784 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 AK100243 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.49 O=C(OC)CC1=CC=C(Cl)N=C1 AK137274 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,2,0,0,0,0|0,0,0]=2 788 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.49 O=C(OC)CC1=NC=C(Br)C=N1 AK138238 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,2,0,0,0,0|1,0,1]=4 791 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 AK-87246 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.106 O=S(CC1=CC=C(C)C=C1)(Cl)=O AK-86322 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.233 BrC1=C(C=CC(=C1)F)CC(=O)O AK-35843 [0,2,0,0,0,0|0,0,0]=2 794 B12R1.233 C1=C(C(=CC=C1Cl)CC(O)=O)Cl AK-46751 [0,2,0,0,0,0|0,0,0]=2 795 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 AK101124 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.233 CC(NC1=CC=C(Br)C=C1Cl)=O AK499528 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.233 CC1=CC(F)=C(CC(O)=O)C=C1 AK-35440 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.233 FC1=C(C=CC(=C1)O)CC(=O)O AK-36113 [0,2,0,0,0,0|0,0,0]=2 799 B12R1.233 NC1=CC(=CN=C1CC(=O)O)Br AK-26406 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1Cl AK-94393 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F AK-29792 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Br AK-35501 [0,2,0,0,0,0|0,0,0]=2 803 B12R1.233 O=C(O)CC1=CC=C(F)C=C1C AK-37488 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl AK-33766 [0,2,0,0,0,0|0,0,0]=2 805 B12R1.233 OC(=O)CC1=C(F)C=C(Cl)C=C1 AK-46377 [0,2,0,0,0,0|0,0,0]=2 806 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,2,0,0,0,0|0,0,0]=2 807 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,2,0,0,0,0|0,0,1]=3 808 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,2,0,0,0,0|0,0,0]=2 809 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,2,0,0,0,0|0,0,0]=2 810 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,2,0,0,0,0|0,0,0]=2 811 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,2,0,0,0,0|0,0,0]=2 812 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,2,0,0,0,0|0,0,0]=2 813 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,2,0,0,0,0|0,0,0]=2 814 B12R1.124 C1=C(C(C(O)=O)O)C(=CC=C1)Cl AK-46625 [0,2,0,0,0,0|0,0,0]=2 815 B12R1.124 CC(C1=CC=CC=C1Cl)C(O)=O AK-45775 [0,2,0,0,0,0|0,0,0]=2 816 B12R1.124 NC1=C(C=CC=C1)C(=O)C([O-])=O AK-80636 [0,2,0,0,0,0|0,0,2]=4 817 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl AK-87599 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.124 O=C(O)C(N)C1=CC=CC=C1Cl AK-42317 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.124 O=C(O)C(N)C1=CC=CC=C1O AK-72570 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.124 O=C(O)[C@H](C1=CC=CC=C1Cl)O AK-81923 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.124 O=C(O)[C@H](N)C1=CC=CC=C1O AK199193 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.124 OC(=O)C(=O)C1=CC=CC=C1Br AK102568 [0,2,0,0,0,0|0,0,1]=3 823 B12R1.225 CC(C(O)=O)C1=CC=CC(Cl)=C1 AK-59290 [0,2,0,0,0,0|0,0,0]=2 824 B12R1.225 O=C(O)C(C1=CC=CC(Br)=C1)=O AK143405 [0,2,0,0,0,0|0,0,1]=3 825 B12R1.225 O=C(O)C(N)C1=CC=CC(Br)=C1 AK-94158 [0,2,0,0,0,0|0,0,0]=2 826 B12R1.225 O=C(O)C(N)C1=CC=CC(Cl)=C1 AK-45445 [0,2,0,0,0,0|0,0,0]=2 827 B12R1.225 O=C(O)C(N)C1=CC=CC(N)=C1 AK158805 [0,2,0,0,0,0|0,0,0]=2 828 B12R1.225 O=C(O)[C@H](N)C1=CC=CC(Cl)=C1 AK167541 [0,2,0,0,0,0|0,0,0]=2 829 B12R1.253 CC(C1=CC=CC=C1)(C)C(O)=O AK-36476 [0,2,0,0,0,0|0,0,0]=2 830 B12R1.478 CC(C(C1=NC=CC=C1)C#N)=O AK601335 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.478 NC(=O)C(C#N)C1=CC=CC=C1 AK-95370 [0,2,0,0,0,0|1,0,0]=3 832 B12R1.478 O=C(O)C(C1=CC=CC=C1)CO AK-90070 [0,2,0,0,0,0|0,0,0]=2 833 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.32 O=C(NC1=CC=CC=C1)CC#N AK174428 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,2,0,0,0,0|0,0,0]=2 837 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [0,2,0,0,0,0|1,0,0]=3 838 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.50 C=CC(NC1=CC=CC(N)=C1)=O AK319023 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.50 C=CC(NC1=CC=CC(O)=C1)=O AK548287 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.50 O=C(OC)CC1=NC(Cl)=CC=C1 AK-63367 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [0,2,0,0,0,0|1,0,1]=4 847 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [0,2,0,0,0,0|1,0,1]=4 849 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,2,0,0,0,0|0,0,0]=2 851 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,2,0,0,0,0|0,0,0]=2 852 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,2,0,0,0,0|0,0,0]=2 853 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,2,0,0,0,0|0,0,0]=2 854 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [0,2,0,0,0,0|1,0,1]=4 856 B12R1.75 C1=CC=CC(=C1CC(O)=O)OC AK-47557 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.75 CC(OC1=CC=CC=C1CBr)=O AK149576 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.75 O=C(O)CC1=CC=CC=C1C#N AK-81513 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.75 O=C(O)CC1=CC=CC=C1CN AK-35082 [0,2,0,0,0,0|0,0,0]=2 860 B12R1.127 CC(NC1=CC(F)=CC=C1I)=O AK203781 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1Br AK-86734 [0,2,0,0,0,0|0,0,0]=2 862 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1C AK126443 [0,2,0,0,0,0|0,0,0]=2 863 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1O AK-79903 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.127 O=C(O)CC1=CC(C)=CC=C1C AK-43923 [0,2,0,0,0,0|0,0,0]=2 865 B12R1.127 O=C(O)CC1=CC(Cl)=CC=C1Br AK-36452 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.127 O=C(O)CC1=CC(Cl)=CC=C1Cl AK117591 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.127 O=C(O)CC1=CC(F)=CC=C1Br AK-41072 [0,2,0,0,0,0|0,0,0]=2 868 B12R1.127 O=C(O)CC1=CC(N)=CC=C1F AK186667 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.127 OC(=O)CC1=C(Cl)C=CC(Br)=C1 AK103141 [0,2,0,0,0,0|0,0,0]=2 870 B12R1.151 O=S(C)(CC1=CC=CC=C1Br)=O AK343538 [0,2,0,0,0,0|1,0,1]=4 871 B12R1.224 BrC1=CC=CC(=C1F)CC(=O)O AK-49015 [0,2,0,0,0,0|0,0,0]=2 872 B12R1.224 O=C(O)CC1=CC=CC(C)=C1C AK-53963 [0,2,0,0,0,0|0,0,0]=2 873 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1F AK117555 [0,2,0,0,0,0|0,0,0]=2 874 B12R1.224 O=C(O)CC1=CC=CC(F)=C1C AK-94142 [0,2,0,0,0,0|0,0,0]=2 875 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Cl AK101139 [0,2,0,0,0,0|0,0,0]=2 876 B12R1.224 O=C(O)CC1=CC=CC(F)=C1F AK-44652 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br AK-86284 [0,2,0,0,0,0|0,0,0]=2 878 B12R1.1009 O=C(O)CC1=C(C)C=CC=C1C AK136023 [0,2,0,0,0,0|0,0,0]=2 879 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl AK-36014 [0,2,0,0,0,0|0,0,0]=2 880 B12R1.1009 OB(O)CC1=C(Cl)C=CC=C1Cl AK-84739 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 AK108345 [0,2,0,0,0,0|0,0,0]=2 882 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 AK-32255 [0,2,0,0,0,0|0,0,0]=2 883 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 AK-33988 [0,2,0,0,0,0|0,0,0]=2 884 B12R1.101 O=C(O)CC1=CC(O)=CC(O)=C1 AK140515 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.438 CC(OC1=CC=CC(CBr)=C1)=O AK149577 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.438 O=C(O)CC1=CC(C#N)=NC=C1 AK140202 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.438 O=C(O)CC1=CC(OC)=NC=C1 AK103183 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.438 O=C(O)CC1=CC=CC(C=O)=C1 AK148333 [0,2,0,0,0,0|0,0,0]=2 889 B12R1.438 O=C(O)CC1=CC=CC(OC)=C1 AK-46642 [0,2,0,0,0,0|0,0,0]=2 890 B12R1.438 OC(=O)CC1=CC(=CC=C1)C#N AK-87994 [0,2,0,0,0,0|0,0,0]=2 891 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,0,1,1,0,0|1,0,1]=4 892 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [1,0,0,1,0,0|2,0,0]=4 893 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [1,0,0,1,0,0|1,0,1]=4 894 B10R2.7 C12=C(OC=N1)C=CN=C2 AK601670 [1,0,0,1,0,0|2,0,0]=4 895 B10R2.7 C12=CC=CC=C1N=CN2 AK109037 [1,0,0,1,0,0|2,0,0]=4 896 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [1,0,0,1,0,0|1,0,1]=4 897 B10R2.7 C12=NC=CC=C1N=CO2 AK-85804 [1,0,0,1,0,0|2,0,0]=4 898 B10R2.7 C12=NC=CC=C1OC=C2 AK119994 [1,0,0,1,0,0|1,0,1]=4 899 B10R2.7 C12=NC=CC=C1OC=N2 AK-85807 [1,0,0,1,0,0|2,0,0]=4 900 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [1,0,0,1,0,0|0,0,1]=3 901 B10R2.7 C1=CC=CC2=C1N=CO2 AK-47416 [1,0,0,1,0,0|1,0,0]=3 902 B10R2.7 C1=CSC2=C1C=CC=C2 AK-44148 [1,0,0,1,0,0|0,1,1]=4 903 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|1,0,1]=4 904 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|0,0,0]=2 905 B12R2.24 C1=C2C(=NC=C1O)C=CC=C2 AK-26151 [0,0,0,1,0,1|1,0,1]=4 906 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,1|1,0,0]=3 907 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,0,0,1,0,1|1,0,0]=3 908 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,0,1|1,0,0]=3 909 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,0,0,1,0,1|1,0,0]=3 910 B12R2.24 O=C1COC2=CC=CN=C2N1 AK-81532 [0,0,0,1,0,1|2,0,0]=4 911 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,0,1|1,0,0]=3 912 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [0,0,0,1,0,1|1,0,1]=4 913 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AK-28738 [0,0,0,1,0,1|1,0,1]=4 914 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,0,1|1,0,1]=4 915 B12R2.606 BrC1=CC2=C(NC(=O)O2)C=C1 AK-33961 [0,1,0,1,0,0|1,0,0]=3 916 B12R2.606 BrC1=CC2=C(NC(N2)=O)C=C1 AK-22228 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.606 BrC1=CC2=C(OC(=O)N2)C=C1 AK-86848 [0,1,0,1,0,0|1,0,0]=3 918 B12R2.606 BrC1=CC2=C(SC(=O)N2)C=C1 AK-87034 [0,1,0,1,0,0|1,1,0]=4 919 B12R2.606 BrC1=CC=C2CC(=O)CC2=C1 AK-32489 [0,1,0,1,0,0|1,0,0]=3 920 B12R2.606 BrC1=CC=C2CC(CC2=C1)O AK-36598 [0,1,0,1,0,0|1,0,1]=4 921 B12R2.606 BrC1=CN=C2C(=C1)OC(N2)=O AK-24539 [0,1,0,1,0,0|2,0,0]=4 922 B12R2.606 C1=C(C=CC2=C1NC(N2)=O)N AK-27188 [0,1,0,1,0,0|2,0,0]=4 923 B12R2.606 C1=CC(=CC2=C1NC(=O)S2)Br AK-35883 [0,1,0,1,0,0|1,1,0]=4 924 B12R2.606 CC1=CC2=C(OC(N)=N2)C=C1 AK-48427 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.606 CC1=NC2=C(O1)C=C(Cl)C=C2 AK-85814 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.606 CC1=NC2=C(O1)C=C(N)C=C2 AK-29411 [0,1,0,1,0,0|2,0,0]=4 927 B12R2.606 CC1=NC2=C(O1)C=CC(O)=C2 AK104913 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 AK-30558 [0,1,0,1,0,0|2,0,0]=4 929 B12R2.606 CC1=NC2=CC(Cl)=CC=C2O1 AK-54057 [0,1,0,1,0,0|2,0,0]=4 930 B12R2.606 CC1=NC2=CC(F)=CC=C2O1 AK202356 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.606 ClC1=CC2=C(NC(=O)S2)C=C1 AK-30262 [0,1,0,1,0,0|1,1,0]=4 932 B12R2.606 ClC1=NC2=C(O1)C=CC(=C2)Cl AK-26747 [0,1,0,1,0,0|2,0,0]=4 933 B12R2.606 ClC1=NC2=CC(Br)=CC=C2O1 AK117626 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.606 ClC1=NC=C2C(=C1)CC(N2)=O AK-27509 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.606 FC1=CC2=C(OC(S)=N2)C=C1 AK111312 [0,1,0,1,0,0|1,1,0]=4 936 B12R2.606 FC1=CC=C2NC(=O)SC2=C1 AK-30083 [0,1,0,1,0,0|1,1,0]=4 937 B12R2.606 NC1=CC2=C(NC(=O)S2)C=C1 AK-86990 [0,1,0,1,0,0|1,1,0]=4 938 B12R2.606 NC1=NC2=C(O1)C=C(Br)C=C2 AK-35461 [0,1,0,1,0,0|2,0,0]=4 939 B12R2.606 NC1=NC2=CC(Br)=CC=C2O1 AK-40298 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 AK154493 [0,1,0,1,0,0|1,0,0]=3 941 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 AK-23804 [0,1,0,1,0,0|2,0,0]=4 942 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 AK-39517 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 AK-88818 [0,1,0,1,0,0|2,0,0]=4 944 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 AK-27436 [0,1,0,1,0,0|2,0,0]=4 945 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 AK-59555 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.606 O=C1NC2=C(C1)C=C(N=C2)Br AK-77361 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)C1 AK-39225 [0,1,0,1,0,0|1,0,0]=3 948 B12R2.606 O=C1NC2=C(C=C(F)C=C2)C1 AK-23028 [0,1,0,1,0,0|1,0,0]=3 949 B12R2.606 O=C1NC2=C(C=C(N)C=C2)C1 AK-37753 [0,1,0,1,0,0|1,0,0]=3 950 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)C1 AK-26491 [0,1,0,1,0,0|1,0,0]=3 951 B12R2.606 O=C1NC2=C(C=CC(C)=C2)C1 AK-79359 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)C1 AK-29404 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.606 O=C1NC2=C(C=CC(N)=C2)C1 AK-28791 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.606 O=C1NC2=CC=C(C)C=C2N1 AK-92933 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 AK-22225 [0,1,0,1,0,0|2,0,0]=4 956 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 AK-22224 [0,1,0,1,0,0|2,0,0]=4 957 B12R2.606 O=C1OC2=CC(Cl)=CN=C2N1 AK-32208 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.606 O=C1OC2=CC=C(F)C=C2N1 AK157798 [0,1,0,1,0,0|1,0,0]=3 959 B12R2.606 S=C1OC2=CC=C(Br)C=C2N1 AK142820 [0,1,0,1,0,0|1,1,0]=4 960 B12R2.606 S=C1OC2=CC=C(Cl)C=C2N1 AK111072 [0,1,0,1,0,0|1,1,0]=4 961 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,1,0,1,0,0|0,0,1]=3 962 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [0,1,0,1,0,0|1,0,1]=4 963 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [0,1,0,1,0,0|1,0,1]=4 964 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [0,1,0,1,0,0|1,0,1]=4 965 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,1,0,1,0,0|1,0,1]=4 966 B12R2.32 C1=C(OC2=C1C=CC=C2)C#N AK-23549 [0,1,0,1,0,0|1,0,1]=4 967 B12R2.32 C1=CC=CC2=C1[NH]C(=N2)CO AK-27112 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.32 CCC1=NC2=CC=CC=C2O1 AK551044 [0,1,0,1,0,0|2,0,0]=4 969 B12R2.32 CSC1=NC2=CC=CC=C2O1 AK108390 [0,1,0,1,0,0|1,1,0]=4 970 B12R2.32 ClCC1=NC2=C(O1)C=CC=C2 AK-61808 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.32 O1C2=C(N=C1CO)C=CC=C2 AK-31640 [0,1,0,1,0,0|1,0,1]=4 972 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [0,1,0,1,0,0|0,0,1]=3 973 B12R2.32 O=CC1=NC2=CC=CC=C2N1 AK-25780 [0,1,0,1,0,0|2,0,0]=4 974 B12R2.32 O=CC1=NC2=CC=CC=C2S1 AK-30101 [0,1,0,1,0,0|1,1,0]=4 975 B12R2.32 OCC1=CC2=CC=CC=C2S1 AK-48826 [0,1,0,1,0,0|0,1,1]=4 976 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [0,1,0,1,0,0|0,0,2]=4 977 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [0,1,0,1,0,0|1,0,1]=4 978 B12R2.32 S1C(=CC2=C1C=CC=C2)C=O AK-42941 [0,1,0,1,0,0|0,1,1]=4 979 B12R2.95 O=S1(NC2=CC=CC=C2C1)=O AK158285 [0,1,0,1,0,0|1,0,1]=4 980 B12R2.202 BrC1=C2CC(NC2=NC=C1)=O AK-27825 [0,1,0,1,0,0|2,0,0]=4 981 B12R2.202 C1=C2NC(CC2=C(Br)C=C1)=O AK-39917 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br AK-80547 [0,1,0,1,0,0|2,0,0]=4 983 B12R2.202 ClC1=C2CC(NC2=NC=C1)=O AK-27550 [0,1,0,1,0,0|2,0,0]=4 984 B12R2.202 FC1=CC=CC2=C1NC(=O)S2 AK-87026 [0,1,0,1,0,0|1,1,0]=4 985 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 AK134831 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.202 NC1=NC2=C(O)C=CC=C2O1 AK-48635 [0,1,0,1,0,0|2,0,0]=4 987 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 AK134675 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.202 O=C1CC2=C(C(Cl)=CC=C2)C1 AK113491 [0,1,0,1,0,0|1,0,0]=3 989 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 AK-64386 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.202 O=C1CC2=NC=CC(C)=C2N1 AK-59577 [0,1,0,1,0,0|2,0,0]=4 991 B12R2.202 O=C1NC2=C(C(C)=CC=C2)C1 AK-57812 [0,1,0,1,0,0|1,0,0]=3 992 B12R2.202 O=C1NC2=C(C(Cl)=CC=C2)C1 AK-34054 [0,1,0,1,0,0|1,0,0]=3 993 B12R2.202 O=C1NC2=C(C(F)=CC=C2)C1 AK-33206 [0,1,0,1,0,0|1,0,0]=3 994 B12R2.202 O=C1NC2=C(C(O)=CC=C2)C1 AK-58192 [0,1,0,1,0,0|1,0,0]=3 995 B12R2.202 O=C1NC2=C(C1)C(=CN=C2)Br AK-88815 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.202 O=C1NC2=C(C=CC=C2Br)C1 AK-41628 [0,1,0,1,0,0|1,0,0]=3 997 B12R2.202 O=C1NC2=C(C=CC=C2Cl)C1 AK-31070 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 AK-51558 [0,1,0,1,0,0|1,0,0]=3 999 B12R2.202 O=C1NC2=C(F)C=CC=C2N1 AK-46854 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.202 OC1CC2=C(C(Br)=CC=C2)C1 AK146728 [0,1,0,1,0,0|1,0,1]=4 1001 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,1,0|1,0,1]=4 1002 B8R1.8 OCCC1=CSC=C1 AK-68259 [1,0,0,0,1,0|1,0,1]=4 1003 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [0,0,0,0,2,0|2,0,0]=4 1004 B8R1.7 C1=COC=C1C(O)=O AK-32276 [0,0,0,0,2,0|1,0,0]=3 1005 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [0,0,0,0,2,0|2,0,0]=4 1006 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [0,0,0,0,2,0|2,0,0]=4 1007 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,0,0,0,2,0|2,0,0]=4 1008 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,0,0,0,2,0|2,0,0]=4 1009 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [0,0,0,0,2,0|2,0,0]=4 1010 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,0,0,0,2,0|1,0,0]=3 1011 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,0,0,0,2,0|1,0,0]=3 1012 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [0,0,0,0,2,0|1,0,1]=4 1013 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,0,0,0,2,0|2,0,0]=4 1014 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [0,0,0,0,2,0|2,0,0]=4 1015 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,0,0,0,2,0|2,0,0]=4 1016 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,0,0,0,2,0|2,0,0]=4 1017 B8R1.7 O=C(C1=COC=N1)O AK-29026 [0,0,0,0,2,0|2,0,0]=4 1018 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [0,0,0,0,2,0|1,0,0]=3 1019 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [0,0,0,0,2,0|2,0,0]=4 1020 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [0,0,0,0,2,0|2,0,0]=4 1021 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [0,0,0,0,2,0|2,0,0]=4 1022 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [0,0,0,0,2,0|1,0,0]=3 1023 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [0,0,0,0,2,0|2,0,0]=4 1024 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [0,0,0,0,2,0|2,0,0]=4 1025 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [0,0,0,0,2,0|1,0,1]=4 1026 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,0,0,0,0,2|1,0,0]=3 1027 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,0,0,0,0,2|0,0,0]=2 1028 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [0,0,0,0,0,2|1,0,0]=3 1029 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,0,0,0,0,2|0,0,0]=2 1030 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,0,0,0,0,2|0,0,0]=2 1031 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,0,0,0,0,2|0,0,1]=3 1032 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [0,0,0,0,0,2|0,0,0]=2 1033 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,0,0,0,0,2|0,0,0]=2