0 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.35 BrC1=CC=C(B(O)O)S1 AK-33558 [0,0,0,0,0,0|1,1,1]=3 3 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,0,0,0,0,0|0,2,0]=2 7 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,0,0,0,0,0|1,1,0]=2 8 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [0,0,0,0,0,0|3,1,0]=4 9 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 C1=C(SC(=N1)Br)[N+]([O-])=O AK-23613 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 C1=C([NH]C(=N1)Cl)[N+]([O-])=O AK-23625 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 CC1=CC=C(B(O)O)S1 AK-33560 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 CN1C=CC(=N1)C(N)=O AK102817 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 ClC1=NC=C(B(O)O)S1 AK542389 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.35 ClC1=NC=C(S1)[N+](=O)[O-] AK-25740 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.35 NC1=NN=C(N1)C(O)=O AK-24773 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK-65072 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK113066 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [0,0,0,0,0,0|3,1,0]=4 30 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,0,0,0,0,0|3,1,0]=4 31 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [0,0,0,0,0,0|3,1,0]=4 32 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [0,0,0,0,0,0|2,1,0]=3 33 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,0,0,0,0,0|0,1,0]=1 36 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,0,0,0,0,0|0,1,0]=1 38 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,0,0,0,0,0|0,1,0]=1 39 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,0,0,0,0,0|0,1,0]=1 40 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 O=C(C1=CN(C)N=C1)O AK-39751 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.35 O=C(C1=CN=C(Br)S1)N AK-48537 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [0,0,0,0,0,0|1,1,0]=2 44 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,0,0,0,0,0|2,1,0]=3 45 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [0,0,0,0,0,0|2,1,0]=3 48 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [0,0,0,0,0,0|2,1,0]=3 49 B9R1.35 O=C(C1=CSC(Br)=C1)N AK138264 [0,0,0,0,0,0|3,1,0]=4 50 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [0,0,0,0,0,0|2,1,0]=3 51 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.35 O=C(C1=CSC(N)=N1)N AK109042 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [0,0,0,0,0,0|2,1,0]=3 54 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 O=C(C1=NC=C(Br)S1)O AK122038 [0,0,0,0,0,0|1,1,0]=2 56 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.35 O=C(C1=NN=C(C)S1)[O-] AK170312 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.35 O=C(C1=NNC(Br)=C1)O AK128451 [0,0,0,0,0,0|3,1,0]=4 59 B9R1.35 O=C(C1=NNC(Cl)=C1)O AK112708 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,0,0,0,0,0|1,0,0]=1 62 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,0,0,0,0,0|2,1,0]=3 63 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 O=[N+](C1=CC=C(Br)S1)[O-] AK-25363 [0,0,0,0,0,0|1,1,1]=3 65 B9R1.35 O=[N+](C1=NC=C(Br)S1)[O-] AK473906 [0,0,0,0,0,0|2,1,1]=4 66 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [0,0,0,0,0,0|2,1,0]=3 67 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [0,0,0,0,0,0|2,1,0]=3 69 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,0,0,0,0,0|1,1,0]=2 70 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.1 BrC1=CC=C(S1)C#N AK-34110 [1,0,0,0,0,0|1,1,1]=4 74 B8R1.1 C1=C(C=O)SC(=N1)Br AK-23611 [1,0,0,0,0,0|1,1,0]=3 75 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [1,0,0,0,0,0|0,1,0]=2 77 B8R1.1 C1=C(SC(=N1)Br)CO AK-23617 [1,0,0,0,0,0|1,1,1]=4 78 B8R1.1 C1=C(SC(=N1)N)C=O AK-21788 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.1 ClC1=CC=C(S1)C#C AK-59107 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.1 ClC1=NC=C(S1)C#N AK-22064 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.1 ClC1=NC=C(S1)CN AK-22135 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.1 ClC1=NC=C(S1)CN AK-24052 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.1 ClCC1=CC=C(Cl)S1 AK112065 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [1,0,0,0,0,0|2,1,0]=4 89 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [1,0,0,0,0,0|2,1,0]=4 90 B8R1.1 N#CC1=CC=C(C)S1 AK128470 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.1 N#CC1=CC=C(N)S1 AK128561 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.1 NCC1=CC=C(Br)S1 AK-68661 [1,0,0,0,0,0|1,1,1]=4 93 B8R1.1 NCC1=CC=C(Cl)S1 AK170725 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.1 O=CC1=CC(Br)=CO1 AK-79028 [1,0,0,0,0,0|2,1,0]=4 95 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [1,0,0,0,0,0|2,1,0]=4 96 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [1,0,0,0,0,0|0,2,0]=3 97 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [1,0,0,0,0,0|1,1,0]=3 98 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [1,0,0,0,0,0|0,1,0]=2 99 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [1,0,0,0,0,0|0,0,0]=1 100 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [1,0,0,0,0,0|2,1,0]=4 101 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.1 O=CC1=CN=C(Cl)S1 AK-45673 [1,0,0,0,0,0|1,0,0]=2 103 B8R1.1 O=CC1=CN=C(N)S1 AK-94752 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.1 O=CC1=CSC(Br)=N1 AK-21791 [1,0,0,0,0,0|2,1,0]=4 105 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 O=CC1=CSC(Cl)=C1 AK-50469 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.1 O=CC1=CSC(Cl)=N1 AK-40953 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.1 O=CC1=NC(Br)=CS1 AK-40945 [1,0,0,0,0,0|2,1,0]=4 109 B8R1.1 OCC1=CC=C(C)O1 AK135169 [1,0,0,0,0,0|1,1,1]=4 110 B8R1.1 OCC1=CN=C(N)S1 AK-57568 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.1 OCC1=CN=C(N)S1 AK164238 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [1,0,0,0,0,0|1,1,1]=4 114 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,0,0|1,0,0]=2 118 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,0,0|2,0,0]=3 120 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,0,0|2,1,0]=4 121 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.7 N=C(C1=NC=CS1)N AK-78239 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,0,0|1,0,0]=2 128 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,0,0|0,1,0]=2 129 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,0,0|0,0,1]=2 130 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,0,0|1,1,0]=3 131 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,0,0,0|1,0,2]=4 133 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,0,0|1,1,0]=3 134 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,0,0|2,0,0]=3 137 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,0,0|2,0,0]=3 138 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,0,0|2,0,0]=3 139 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.7 O=C(C1=NC=CN1)N AK139797 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [1,0,0,0,0,0|1,1,1]=4 142 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.7 O=C(C1CC=CC1)O AK-36334 [1,0,0,0,0,0|1,0,2]=4 145 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [1,0,0,0,0,0|1,0,2]=4 146 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [1,0,0,0,0,0|2,0,1]=4 147 B8R1.7 OB(C1=CC=CS1)O AK-46314 [1,0,0,0,0,0|1,0,1]=3 148 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,0,0|1,0,0]=2 152 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [1,0,0,0,0,0|1,1,0]=3 153 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [1,0,0,0,0,0|1,0,2]=4 154 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,0,0|0,0,1]=2 156 B10R1.14 C1=C(C(C=O)=O)SC(=C1)Br AK-10033 [0,1,0,0,0,0|0,1,1]=3 157 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.14 C1=C(C(OC)=O)SC(=N1)Br AK-23911 [0,1,0,0,0,0|1,1,0]=3 159 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.14 C1=C(N=C(S1)Br)C(=O)OC AK-21789 [0,1,0,0,0,0|2,1,0]=4 161 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,1,0,0,0,0|2,1,0]=4 163 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,1,0,0,0,0|2,1,0]=4 164 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,1,0,0,0,0|2,1,0]=4 165 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,1,0,0,0,0|2,1,0]=4 166 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.14 ClC1=NC=C(S1)C(=O)OC AK-65059 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,1,0,0,0,0|1,1,0]=3 169 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,1,0,0,0,0|0,2,0]=3 170 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,1,0,0,0,0|0,1,0]=2 171 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,0,0,0|1,1,0]=3 172 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.14 O=C(C1=CN=C(Br)O1)OC AK-75897 [0,1,0,0,0,0|1,2,0]=4 174 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,1,0,0,0,0|2,1,0]=4 175 B10R1.14 O=C(C1=CN=C(Cl)O1)OC AK-77391 [0,1,0,0,0,0|1,1,0]=3 176 B10R1.14 O=C(C1=CN=C(N)S1)NC AK164189 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.14 O=C(C1=COC(Br)=N1)OC AK-41107 [0,1,0,0,0,0|2,1,0]=4 178 B10R1.14 O=C(C1=COC(Cl)=N1)OC AK-36915 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,1,0,0,0,0|2,1,0]=4 180 B10R1.14 O=C(C1=NC(Br)=CS1)OC AK146642 [0,1,0,0,0,0|2,1,0]=4 181 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,1,0,0,0,0|1,1,0]=3 184 B10R1.31 C1=C(SC(=C1)C#N)B(O)O AK-25742 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.31 C1=C(SC(=C1)C#N)[N+]([O-])=O AK-33603 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.31 C1=C(SC(=C1)C=O)B(O)O AK-35155 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.31 C1=C(SC(=C1)C=O)[N+](=O)[O-] AK-44199 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.31 O=C(C1=CC(C#N)=CO1)O AK-42021 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.31 O=C(C1=CC=C(C=O)O1)O AK-58389 [0,1,0,0,0,0|1,1,0]=3 191 B10R1.31 O=C(C1=CC=C(C=O)S1)O AK-35246 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.31 O=C(C1=CSC(CC)=N1)O AK-41200 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.31 O=C(C1=CSC(CC)=N1)O AK107643 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.31 O=C(C1=NC(CC)=CS1)O AK158458 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.31 O=C(C1=NC=C(OC)O1)O AK139150 [0,1,0,0,0,0|2,1,0]=4 196 B10R1.31 O=CC1=CC=C(C(C)=O)S1 AK110433 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.31 OC(=O)C1=CC=C(O1)C#N AK-40423 [0,1,0,0,0,0|1,1,0]=3 198 B10R1.31 OCC1=CC=C(S1)B(O)O AK-34744 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.58 CN1N=C(C=C1C)C(O)=O AK-95883 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.58 O=C(C1=CC(Br)=C(Cl)S1)O AK127057 [0,1,0,0,0,0|0,0,0]=1 201 B10R1.58 O=C(C1=CC(Cl)=C(Br)S1)O AK127116 [0,1,0,0,0,0|0,1,0]=2 202 B10R1.58 O=C(C1=CC(Cl)=C(Cl)N1)N AK138105 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.58 O=C(C1=CC(Cl)=C(Cl)S1)O AK-76939 [0,1,0,0,0,0|0,0,0]=1 204 B10R1.58 O=C(C1=CC(N)=C(Br)S1)O AK-30179 [0,1,0,0,0,0|0,1,0]=2 205 B10R1.58 O=C(C1=NN(C)C(O)=C1)O AK-81704 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.58 OC(=O)C1=CC(Br)=C(Br)S1 AK-82334 [0,1,0,0,0,0|0,1,0]=2 207 B10R1.59 BrC1=NC(=C(S1)C(=O)O)Br AK-24208 [0,1,0,0,0,0|1,1,0]=3 208 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AK-80296 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.59 CC(C1=C(C)C=C(C)O1)=O AK126891 [0,1,0,0,0,0|2,1,0]=4 210 B10R1.59 CC1=C(N=C(Cl)S1)C(O)=O AK-41562 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.59 CN1C=C(Br)C(=N1)C(O)=O AK-57069 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.59 ClC1=NC(=C(S1)Cl)C(=O)O AK-37242 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.59 O=C(C1=C(Br)C=C(Cl)S1)O AK156001 [0,1,0,0,0,0|0,0,0]=1 214 B10R1.59 O=C(C1=C(Br)OC(C)=N1)O AK-24421 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.59 O=C(C1=C(Br)SC(Br)=C1)O AK-64336 [0,1,0,0,0,0|2,1,0]=4 216 B10R1.59 O=C(C1=C(C)N=C(Br)S1)O AK-30367 [0,1,0,0,0,0|1,1,0]=3 217 B10R1.59 O=C(C1=C(C)N=C(C)S1)O AK-35512 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.59 O=C(C1=C(C)SC(Br)=N1)O AK-67662 [0,1,0,0,0,0|2,1,0]=4 219 B10R1.59 O=C(C1=C(C)SC(N)=N1)O AK-50040 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.59 O=C(C1=C(Cl)N=C(Br)S1)O AK152865 [0,1,0,0,0,0|1,1,0]=3 221 B10R1.59 O=C(C1=C(Cl)N=C(Cl)S1)O AK-24205 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.59 O=C(C1=C(Cl)SC(Cl)=C1)O AK-34842 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.59 O=C(C1=CC(Br)=CN1C)O AK101071 [0,1,0,0,0,0|2,1,0]=4 224 B10R1.59 O=C(C1=NN(C)C=C1C)O AK-43757 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.59 OC1=NC(=C(S1)C(=O)O)C AK-32105 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.194 O=C(C1=C(C)C(C)=CS1)O AK-36791 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.194 O=C(C1=C(C)N(C)C=C1)O AK164868 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.194 O=C(C1=C(Cl)C(Cl)=NS1)O AK-28232 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.194 O=C(C1=CC=C(Br)N1C)O AK-36608 [0,1,0,0,0,0|1,1,0]=3 230 B10R1.194 O=C(C1=CSC(C)=C1N)O AK161687 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [0,0,0,0,0,1|2,1,0]=4 232 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [0,0,0,0,0,1|2,1,0]=4 233 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,0,0,0,0,1|2,1,0]=4 234 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.13 C1=C(C=CC(=N1)Cl)B(O)O AK-29256 [0,0,0,0,0,1|2,0,1]=4 236 B10R1.13 C1=C(C=CC(=N1)[N+]([O-])=O)Cl AK-47611 [0,0,0,0,0,1|2,0,1]=4 237 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,0,0,0,0,1|2,1,0]=4 240 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,0,0,0,0,1|2,1,0]=4 241 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,0,0,0,0,1|1,1,0]=3 242 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,0,0,0,0,1|1,1,0]=3 243 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Cl AK-25992 [0,0,0,0,0,1|2,0,1]=4 246 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [0,0,0,0,0,1|1,1,0]=3 247 B10R1.13 C1=NC(=CN=C1C(=O)N)Cl AK-28055 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [0,0,0,0,0,1|2,0,0]=3 249 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,0,0,0,0,1|2,1,0]=4 251 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,0,0,0,0,1|2,1,0]=4 253 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.13 CC(C1=CN=C(Cl)N=C1)=O AK135579 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,0,0,0,0,1|2,1,0]=4 258 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,0,0,0,0,1|2,0,1]=4 264 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [0,0,0,0,0,1|2,0,1]=4 265 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.13 ClC1=CC=C(N=N1)C(=O)N AK-28115 [0,0,0,0,0,1|2,0,0]=3 268 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [0,0,0,0,0,1|1,0,0]=2 269 B10R1.13 ClC1=CN=C(C=C1)B(O)O AK-24785 [0,0,0,0,0,1|2,0,1]=4 270 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [0,0,0,0,0,1|1,1,0]=3 271 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 AK-67868 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,0,0,0,0,1|2,1,0]=4 273 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [0,0,0,0,0,1|2,0,0]=3 277 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [0,0,0,0,0,1|2,1,0]=4 282 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [0,0,0,0,0,1|1,1,0]=3 283 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,0,0,0,0,1|2,0,0]=3 290 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [0,0,0,0,0,1|2,1,0]=4 293 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [0,0,0,0,0,1|2,1,0]=4 296 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,0,0,0,0,1|2,0,0]=3 297 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,0,0,0,0,1|1,0,0]=2 298 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,0,0,0,0,1|1,1,0]=3 299 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,0,0,0,0,1|2,0,0]=3 301 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [0,0,0,0,0,1|1,0,0]=2 303 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [0,0,0,0,0,1|2,0,0]=3 304 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [0,0,0,0,0,1|2,0,0]=3 305 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [0,0,0,0,0,1|2,0,1]=4 306 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [0,0,0,0,0,1|2,0,1]=4 307 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [0,0,0,0,0,1|1,1,0]=3 308 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [0,0,0,0,0,1|1,1,0]=3 310 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [0,0,0,0,0,1|2,0,0]=3 311 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [0,0,0,0,0,1|1,1,0]=3 312 B10R1.54 CC(=O)NC1=CC=C(Br)S1 AK-86925 [0,0,0,0,0,1|1,1,0]=3 313 B10R1.54 O=C(O)CC1=CSC(N)=N1 AK-92955 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.54 O=C(O)CN1N=CC(Cl)=C1 AK121290 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,0,0,0,0,1|2,1,0]=4 316 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,0,0,0,0,1|2,1,0]=4 318 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [0,0,0,0,0,1|2,0,0]=3 320 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [0,0,0,0,0,1|1,0,0]=2 321 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [0,0,0,0,0,1|1,1,0]=3 322 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [0,0,0,0,0,1|2,1,0]=4 323 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [0,0,0,0,0,1|1,1,0]=3 324 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [0,0,0,0,0,1|2,0,0]=3 325 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [0,0,0,0,0,1|1,0,0]=2 326 B10R1.113 C1=C(Cl)N=CC=C1B(O)O AK-26000 [0,0,0,0,0,1|2,0,1]=4 327 B10R1.113 C1=C(N=C(C=C1)Cl)[N+]([O-])=O AK-28534 [0,0,0,0,0,1|2,0,1]=4 328 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [0,0,0,0,0,1|1,1,0]=3 329 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [0,0,0,0,0,1|2,0,0]=3 330 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [0,0,0,0,0,1|3,0,0]=4 331 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [0,0,0,0,0,1|1,0,0]=2 332 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [0,0,0,0,0,1|2,0,0]=3 333 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [0,0,0,0,0,1|2,0,0]=3 334 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 AK100632 [0,0,0,0,0,1|2,0,0]=3 335 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,0,0,0,0,1|2,1,0]=4 336 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [0,0,0,0,0,1|3,0,0]=4 337 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,0,0,0,0,1|2,1,0]=4 338 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,0,0,0,0,1|2,1,0]=4 341 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,0,0,0,0,1|3,0,0]=4 342 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,0,0,0,0,1|2,0,0]=3 343 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,0,0,0,0,1|3,0,0]=4 344 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [0,0,0,0,0,1|2,0,0]=3 345 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [0,0,0,0,0,1|2,0,0]=3 346 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [0,0,0,0,0,1|2,0,0]=3 347 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [0,0,0,0,0,1|2,0,1]=4 348 B10R1.113 ClC1=CC(=CN=C1)N(=O)=O AK-23519 [0,0,0,0,0,1|2,0,1]=4 349 B10R1.113 ClC1=CC(=NC=C1)[N+](=O)[O-] AK-23757 [0,0,0,0,0,1|2,0,1]=4 350 B10R1.113 ClC1=CC(B(O)O)=NC=C1 AK-81399 [0,0,0,0,0,1|2,0,1]=4 351 B10R1.113 ClC1=CC=CC(=C1)B(O)O AK-47360 [0,0,0,0,0,1|2,0,1]=4 352 B10R1.113 ClC1=NC=CC(=C1)[N+](=O)[O-] AK-25623 [0,0,0,0,0,1|2,0,1]=4 353 B10R1.113 ClC1=NC=CC(=N1)C(=O)O AK-28365 [0,0,0,0,0,1|1,0,0]=2 354 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 AK-39096 [0,0,0,0,0,1|2,0,0]=3 355 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,0,0,0,0,1|3,0,0]=4 356 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [0,0,0,0,0,1|2,0,0]=3 357 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [0,0,0,0,0,1|2,0,0]=3 358 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [0,0,0,0,0,1|2,0,0]=3 359 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [0,0,0,0,0,1|3,0,0]=4 360 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [0,0,0,0,0,1|1,0,0]=2 361 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [0,0,0,0,0,1|2,0,0]=3 362 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [0,0,0,0,0,1|1,1,0]=3 363 B10R1.113 O=C(C1=NC(Br)=NC=C1)O AK145986 [0,0,0,0,0,1|1,1,0]=3 364 B10R1.113 O=C(C1=NC(Cl)=NC=C1)N AK107035 [0,0,0,0,0,1|2,0,0]=3 365 B10R1.113 O=C(C1=NC(N)=NC=C1)N AK145739 [0,0,0,0,0,1|3,0,0]=4 366 B10R1.113 O=C(C1=NC(N)=NC=C1)O AK-65335 [0,0,0,0,0,1|2,0,0]=3 367 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [0,0,0,0,0,1|1,1,0]=3 368 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [0,0,0,0,0,1|3,0,0]=4 369 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [0,0,0,0,0,1|2,0,0]=3 370 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [0,0,0,0,0,1|2,0,0]=3 371 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [0,0,0,0,0,1|2,0,0]=3 372 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [0,0,0,0,0,1|2,1,0]=4 373 B10R1.113 O=C(N)C1=NC=CC(N)=C1 AK103735 [0,0,0,0,0,1|3,0,0]=4 374 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [0,0,0,0,0,1|1,1,0]=3 375 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,0,0,0,0,1|2,0,0]=3 376 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [0,0,0,0,0,1|1,1,0]=3 377 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [0,0,0,0,0,1|2,0,0]=3 378 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [0,0,0,0,0,1|2,0,0]=3 379 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [0,0,0,0,0,1|1,1,0]=3 380 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [0,0,0,0,0,1|2,0,0]=3 381 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [0,0,0,0,0,1|2,0,0]=3 382 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [0,0,0,0,0,1|1,1,0]=3 383 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [0,0,0,0,0,1|1,1,0]=3 384 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [0,0,0,0,0,1|2,0,0]=3 385 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [0,0,0,0,0,1|1,0,0]=2 386 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [0,0,0,0,0,1|1,1,0]=3 387 B10R1.113 O=C1NC(=CC=N1)C(=O)O AK-30175 [0,0,0,0,0,1|2,0,0]=3 388 B10R1.113 O=C1NN=CC(=C1)C(=O)O AK-26372 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.113 OB(O)C1=CC(Cl)=CN=C1 AK-26378 [0,0,0,0,0,1|2,0,1]=4 390 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [0,0,0,0,0,1|1,0,0]=2 391 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [0,0,0,0,0,1|1,1,0]=3 392 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [0,0,0,0,0,1|1,1,0]=3 393 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [0,0,0,0,0,1|2,0,0]=3 394 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [1,0,1,0,0,0|1,0,1]=4 395 B7R1.1 C1=C(N=CS1)C=O AK-23930 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.1 C1=C(SC=C1)C#N AK-46367 [2,0,0,0,0,0|1,0,1]=4 397 B7R1.1 C1=C(SC=C1)C=O AK-26482 [2,0,0,0,0,0|0,0,0]=2 398 B7R1.1 C1=C(SC=N1)CO AK-23792 [2,0,0,0,0,0|1,0,1]=4 399 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [2,0,0,0,0,0|2,0,0]=4 400 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [2,0,0,0,0,0|2,0,0]=4 401 B7R1.1 C1=CSC(=N1)C=O AK-46309 [2,0,0,0,0,0|1,0,0]=3 402 B7R1.1 C=CC1=NC=CS1 AK251551 [2,0,0,0,0,0|2,0,0]=4 403 B7R1.1 CCC1=CC=CS1 AK-76635 [2,0,0,0,0,0|1,0,1]=4 404 B7R1.1 COC1=CC=CS1 AK-60885 [2,0,0,0,0,0|2,0,0]=4 405 B7R1.1 NCC1=CC=CS1 AK-46394 [2,0,0,0,0,0|1,0,1]=4 406 B7R1.1 O=CC1=CC=CN1 AK-25235 [2,0,0,0,0,0|1,0,0]=3 407 B7R1.1 O=CC1=CN=CS1 AK-39378 [2,0,0,0,0,0|1,0,0]=3 408 B7R1.1 O=CC1=CNC=C1 AK-36182 [2,0,0,0,0,0|2,0,0]=4 409 B7R1.1 O=CC1=CSC=C1 AK-42964 [2,0,0,0,0,0|2,0,0]=4 410 B7R1.1 OCC1=CC=CS1 AK-93468 [2,0,0,0,0,0|0,0,1]=3 411 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [2,0,0,0,0,0|2,0,0]=4 412 B7R1.2 BrC1=NC=C(S1)Cl AK-30271 [2,0,0,0,0,0|2,0,0]=4 413 B7R1.2 C1=C(Br)SC(=C1)Br AK-46301 [2,0,0,0,0,0|1,1,0]=4 414 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [2,0,0,0,0,0|0,1,1]=4 415 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [2,0,0,0,0,0|1,0,1]=4 416 B7R1.2 ClC1=CC=C(Cl)S1 AK112943 [2,0,0,0,0,0|1,0,0]=3 417 B7R1.2 ClC1=CC=C(I)S1 AK-82112 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [1,1,0,0,0,0|1,1,0]=4 419 B9R1.21 COC1=NC=C(S1)C=O AK-27989 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.21 O=CC1=CC=C(C=O)O1 AK-72875 [1,1,0,0,0,0|1,1,0]=4 421 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.22 BrC1=NC(=C(S1)C=O)Br AK-24207 [1,1,0,0,0,0|1,1,0]=4 423 B9R1.22 C1(=C(N=C(S1)Cl)Cl)C=O AK-10081 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.22 ClC1=C(C=C(S1)Cl)C=O AK-49034 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.22 NC1=NC(=C(S1)C=O)Cl AK-15131 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.22 O=CC1=C(C)C=C(C)N1 AK-34150 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 AK-25159 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.23 O=CC1=NC(C)=C(C)S1 AK-64606 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.11 BrCC(C1=NC=CS1)=O AK-45640 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.11 COC(=O)C1=COC=N1 AK100835 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [1,1,0,0,0,0|1,1,0]=4 436 B9R1.11 NC(C1=CC=CS1)CO AK684513 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [1,1,0,0,0,0|0,0,0]=2 439 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.19 C1=C([S](N)(=O)=O)SC=C1 AK-23658 [1,1,0,0,0,0|1,0,1]=4 447 B9R1.19 O=S(C1=CC=CS1)(O)=O AK-53556 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.41 BrC1=C(B(O)O)SC=C1 AK-64134 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [1,1,0,0,0,0|1,1,0]=4 450 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [1,1,0,0,0,0|0,1,0]=3 453 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [1,1,0,0,0,0|0,0,0]=2 455 B9R1.41 NC1=C([N+]([O-])=O)SC=C1 AK126981 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.41 O=C(C1=C(Br)C=NN1)O AK-59621 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.41 O=C(C1=C(Br)SC=N1)O AK-22047 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [1,1,0,0,0,0|0,0,0]=2 462 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [1,1,0,0,0,0|1,1,0]=4 463 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.41 O=C(C1=C(Cl)C=NN1)O AK-75702 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.41 O=C(C1=C(Cl)C=NS1)O AK314030 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [1,1,0,0,0,0|0,0,0]=2 470 B9R1.41 O=C(C1=C(I)C=NN1)O AK-92905 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.41 O=C(C1=NNC=C1Br)O AK-46340 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.41 O=[N+](C1=C(Br)C=CS1)[O-] AK-98663 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [1,1,0,0,0,0|0,1,0]=3 480 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [1,1,0,0,0,0|0,0,0]=2 481 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.3 C1=CC(=NC=C1C(=O)O)NN AK-33131 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.21 BrC1=C(C=C(C(=O)O)C=C1)O AK-39977 [0,1,0,0,0,1|1,1,0]=4 497 B11R1.21 BrC1=C(C=CC(=C1)C(=O)O)Cl AK-30019 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.21 BrC1=CN=C(C=C1C)C(=O)O AK-37510 [0,1,0,0,0,1|1,1,0]=4 499 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N AK-34321 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.21 C1=C(C(=CC=C1C(=O)O)N)C AK-34339 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.21 C1=C(C(=CC=C1C(O)=O)Cl)O AK-25796 [0,1,0,0,0,1|1,0,0]=3 502 B11R1.21 C1=C(C(=CC=C1C(O)=O)O)C AK-46719 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.21 C1=C(C=CC(=C1Br)C)C(O)=O AK-36339 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.21 C1=C(C=CC(=C1C)Cl)C(O)=O AK-47580 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.21 C1=C(C=CC(=C1Cl)Cl)C(O)=O AK-46631 [0,1,0,0,0,1|1,0,0]=3 506 B11R1.21 C1=C(C=CC(=C1F)C)C(O)=O AK-34796 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.21 C1=C(C=CC(=C1F)F)C(O)=O AK-47373 [0,1,0,0,0,1|1,1,0]=4 508 B11R1.21 C1=C(C=CC(=C1O)O)C(O)=O AK-47644 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 C1=C(O)C(=CC=C1C(=O)O)N AK-34278 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)F AK-35058 [0,1,0,0,0,1|1,1,0]=4 511 B11R1.21 C1=CC(=C(C=C1C(O)=O)F)N AK-35239 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.21 CC(C1=CC(C)=C(Cl)N=C1)=O AK139010 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [0,1,0,0,0,1|1,1,0]=4 518 B11R1.21 CC1=CC(=CNC1=O)C(O)=O AK-78282 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.21 FC1=C(C=CC(=C1)C(=O)O)I AK-36475 [0,1,0,0,0,1|1,1,0]=4 520 B11R1.21 NC1=C(I)C=CC(=C1)C(O)=O AK-82318 [0,1,0,0,0,1|1,1,0]=4 521 B11R1.21 NC1=C(O)C=CC(=C1)C(O)=O AK-33476 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.21 NC1=CC(=CC=C1Cl)C(O)=O AK-73058 [0,1,0,0,0,1|1,0,0]=3 523 B11R1.21 O=C(C1=CC(Br)=C(Br)N=C1)O AK-29099 [0,1,0,0,0,1|1,1,0]=4 524 B11R1.21 O=C(C1=CC(Cl)=C(Cl)N=C1)O AK-25953 [0,1,0,0,0,1|1,0,0]=3 525 B11R1.21 O=C(C1=NC(Cl)=C(C)C=C1)O AK-76573 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.21 O=C(C1=NC(Cl)=C(Cl)N=C1)O AK133010 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)O AK-34900 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 AK-64921 [0,1,0,0,0,1|1,1,0]=4 529 B11R1.21 O=C(O)C1=CC=C(Br)C(C)=C1 AK-26325 [0,1,0,0,0,1|1,1,0]=4 530 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 AK-86432 [0,1,0,0,0,1|1,1,0]=4 531 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 AK-50383 [0,1,0,0,0,1|1,1,0]=4 532 B11R1.21 O=C(O)C1=CC=C(Br)C(N)=C1 AK-34514 [0,1,0,0,0,1|1,1,0]=4 533 B11R1.21 O=C(O)C1=CC=C(C)C(Cl)=C1 AK-73060 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 AK-51540 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.21 O=C(O)C1=CC=C(C)C(O)=C1 AK-61869 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=C1 AK-35057 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 AK-32644 [0,1,0,0,0,1|1,1,0]=4 538 B11R1.21 O=C(O)C1=CC=C(F)C(C)=C1 AK-35056 [0,1,0,0,0,1|1,1,0]=4 539 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 AK-53849 [0,1,0,0,0,1|1,1,0]=4 540 B11R1.21 O=C(O)C1=CC=C(F)C(N)=C1 AK-34274 [0,1,0,0,0,1|1,1,0]=4 541 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 AK-35418 [0,1,0,0,0,1|1,1,0]=4 542 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 AK174208 [0,1,0,0,0,1|1,1,0]=4 543 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 AK-44390 [0,1,0,0,0,1|1,1,0]=4 544 B11R1.21 O=C(O)C1=CC=C(N)C(Br)=C1 AK-35930 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.21 O=C(O)C1=CC=C(N)C(Cl)=C1 AK-34340 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.21 O=C(O)C1=CC=C(N)C(N)=C1 AK-45165 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 AK-34797 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 AK-23816 [0,1,0,0,0,1|1,0,0]=3 549 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 AK173995 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.21 O=C(O)C1=CN=C(Cl)C(I)=C1 AK324930 [0,1,0,0,0,1|1,0,0]=3 551 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 AK-49660 [0,1,0,0,0,1|1,1,0]=4 552 B11R1.21 O=C(O)C1=CN=C(N)C(Br)=C1 AK-25059 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.21 O=C(O)C1=CN=C(N)C(N)=C1 AK126240 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.21 O=C(O)C1=NC(Br)=C(C)C=C1 AK138206 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 AK-53664 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 AK-53910 [0,1,0,0,0,1|1,1,0]=4 557 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [0,1,0,0,0,1|1,1,0]=4 558 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 AK-53898 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 AK-53913 [0,1,0,0,0,1|1,1,0]=4 560 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 AK-92903 [0,1,0,0,0,1|1,1,0]=4 561 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 AK-55136 [0,1,0,0,0,1|1,1,0]=4 562 B11R1.21 O=C(O)C1=NC=C(C)C(Br)=C1 AK137974 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.21 OC(=O)C1=CC(=O)C(O)=CN1 AK-89588 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.21 OC(=O)C1=CC(Br)=C(I)C=C1 AK-80847 [0,1,0,0,0,1|1,1,0]=4 565 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 AK-64714 [0,1,0,0,0,1|1,1,0]=4 566 B11R1.21 OC(=O)C1=CC(I)=C(Cl)C=C1 AK-35135 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.21 OC(=O)C1=CC=C(Cl)C(=O)N1 AK100453 [0,1,0,0,0,1|1,0,0]=3 568 B11R1.21 OC(=O)C1=NC=C(Cl)C(Cl)=C1 AK-67884 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,1,0,0,0,1|1,1,0]=4 570 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,1,0,0,0,1|1,1,0]=4 573 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [0,1,0,0,0,1|1,1,0]=4 575 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,1,0,0,0,1|1,0,0]=3 576 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 AK-25021 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [0,1,0,0,0,1|1,0,1]=4 579 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [0,1,0,0,0,1|1,1,0]=4 582 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [0,1,0,0,0,1|1,1,0]=4 584 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,1,0,0,0,1|1,0,0]=3 585 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,1,0,0,0,1|1,1,0]=4 589 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,1,0,0,0,1|1,1,0]=4 590 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.166 BrC1=C(C(=O)O)C=CC(=C1)Cl AK-36919 [0,1,0,0,0,1|1,0,0]=3 597 B11R1.166 BrC1=CN=C(C(=C1)C)C(=O)O AK-26400 [0,1,0,0,0,1|1,1,0]=4 598 B11R1.166 C1=C(C(=CC(=C1)Br)N)C(=O)O AK-34046 [0,1,0,0,0,1|1,1,0]=4 599 B11R1.166 C1=C(C(=CC(=C1)Cl)I)C(O)=O AK-46379 [0,1,0,0,0,1|1,0,0]=3 600 B11R1.166 C1=C(C(=CC(=C1)Cl)N)C(O)=O AK-36798 [0,1,0,0,0,1|1,0,0]=3 601 B11R1.166 C1=C(C(=CC=C1C)C(=O)O)N AK-25621 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.166 C1=C(C(=CC=C1Cl)C(C)=O)Cl AK-47301 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.166 C1=C(C(=CC=C1N)C(=O)O)C AK-27038 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.166 C1=C(Cl)C=NC(=C1Cl)C(=O)O AK-24701 [0,1,0,0,0,1|1,0,0]=3 605 B11R1.166 C1=CC(=C(C=C1N)Cl)C(O)=O AK-29059 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br AK-45532 [0,1,0,0,0,1|1,1,0]=4 607 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Br AK-26260 [0,1,0,0,0,1|1,1,0]=4 608 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Cl AK-32606 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.166 C1=CC(=CC(=C1C(O)=O)Cl)Cl AK-46538 [0,1,0,0,0,1|1,0,0]=3 611 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)C AK-26324 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)F AK-49138 [0,1,0,0,0,1|1,1,0]=4 613 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)N AK-25984 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)C AK-73066 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)Cl AK-47585 [0,1,0,0,0,1|1,0,0]=3 616 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)F AK-29195 [0,1,0,0,0,1|1,1,0]=4 617 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O AK-75637 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.166 CC(C1=CC=C(Cl)N=C1Cl)=O AK-49093 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.166 CC1=C(C=NC(Cl)=C1)C(O)=O AK-42673 [0,1,0,0,0,1|1,0,0]=3 620 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)O AK-25883 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.166 ClC1=CC(=C(C=C1)C(C)=O)F AK-46375 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.166 ClC1=CN=C(C(=C1)C)C(=O)O AK-29698 [0,1,0,0,0,1|1,0,0]=3 623 B11R1.166 ClC1=NC=C(C(=N1)Cl)C(=O)O AK-24354 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.166 FC1=C(C(=O)O)C=CC(=C1)I AK-33039 [0,1,0,0,0,1|1,1,0]=4 625 B11R1.166 FC1=NC(=C(C(=O)O)C=C1)C AK-30364 [0,1,0,0,0,1|1,1,0]=4 626 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl AK-97072 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1N AK-64550 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Cl AK100505 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.166 NC1=C(C(=O)O)C=CC(=N1)Cl AK-31140 [0,1,0,0,0,1|1,0,0]=3 630 B11R1.166 O=C(C1=NC=C(F)C=C1F)O AK-36274 [0,1,0,0,0,1|1,1,0]=4 631 B11R1.166 O=C(C=1C(O)=CC(NC1)=O)O AK-27721 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.166 O=C(N)C1=CC=C(Cl)C=C1N AK-43520 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.166 O=C(N)C1=CN=C(Cl)C=C1Cl AK-29452 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.166 O=C(O)C1=C(C)N=C(Br)C=C1 AK144236 [0,1,0,0,0,1|1,1,0]=4 635 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 AK-58691 [0,1,0,0,0,1|1,0,0]=3 636 B11R1.166 O=C(O)C1=C(Cl)N=C(C)C=C1 AK-84877 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 AK-25090 [0,1,0,0,0,1|1,0,0]=3 638 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 AK120480 [0,1,0,0,0,1|1,0,0]=3 639 B11R1.166 O=C(O)C1=C(N)N=C(Br)C=C1 AK-77320 [0,1,0,0,0,1|1,1,0]=4 640 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 AK-68352 [0,1,0,0,0,1|1,0,0]=3 641 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Cl AK-40035 [0,1,0,0,0,1|1,1,0]=4 642 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F AK-45932 [0,1,0,0,0,1|1,1,0]=4 643 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I AK-73142 [0,1,0,0,0,1|1,1,0]=4 644 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O AK-44937 [0,1,0,0,0,1|1,1,0]=4 645 B11R1.166 O=C(O)C1=CC=C(C)C=C1Br AK-36340 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.166 O=C(O)C1=CC=C(C)C=C1Cl AK-36338 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.166 O=C(O)C1=CC=C(C)C=C1I AK201253 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br AK-32641 [0,1,0,0,0,1|1,1,0]=4 649 B11R1.166 O=C(O)C1=CC=C(F)C=C1C AK-34672 [0,1,0,0,0,1|1,1,0]=4 650 B11R1.166 O=C(O)C1=CC=C(F)C=C1I AK-29400 [0,1,0,0,0,1|1,1,0]=4 651 B11R1.166 O=C(O)C1=CC=C(F)C=C1N AK-25985 [0,1,0,0,0,1|1,1,0]=4 652 B11R1.166 O=C(O)C1=CC=C(I)C=C1N AK-34047 [0,1,0,0,0,1|1,1,0]=4 653 B11R1.166 O=C(O)C1=CC=C(N)C=C1O AK-46320 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.166 O=C(O)C1=CC=C(O)C=C1C AK-40693 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.166 O=C(O)C1=CC=C(O)C=C1F AK-35989 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.166 O=C(O)C1=CC=C(O)C=C1O AK-88714 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br AK-55073 [0,1,0,0,0,1|1,1,0]=4 658 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl AK161047 [0,1,0,0,0,1|1,1,0]=4 659 B11R1.166 O=C(O)C1=CN=C(C)C=C1C AK-29000 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.166 O=C(O)C1=CN=C(C)C=C1Cl AK-28459 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.166 O=C(O)C1=CN=C(C)C=C1N AK-29804 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br AK167576 [0,1,0,0,0,1|1,0,0]=3 663 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl AK-26772 [0,1,0,0,0,1|1,0,0]=3 664 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1N AK121862 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.166 O=C(O)C1=CN=C(F)C=C1C AK123501 [0,1,0,0,0,1|1,1,0]=4 666 B11R1.166 O=C(O)C1=CN=C(F)C=C1F AK-26362 [0,1,0,0,0,1|1,1,0]=4 667 B11R1.166 O=C(O)C1=CN=C(N)C=C1C AK-68341 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.166 O=C(O)C1=CN=C(N)C=C1Cl AK153190 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl AK-55097 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl AK-53906 [0,1,0,0,0,1|1,1,0]=4 671 B11R1.166 O=C(O)C1=NC=C(C)C=C1Br AK-76925 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br AK101091 [0,1,0,0,0,1|1,0,0]=3 673 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1N AK120030 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br AK-53675 [0,1,0,0,0,1|1,1,0]=4 675 B11R1.166 OC(=O)C1=C(Br)C=C(I)C=C1 AK-61744 [0,1,0,0,0,1|1,1,0]=4 676 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=N1 AK-53915 [0,1,0,0,0,1|1,1,0]=4 677 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Br AK-30252 [0,1,0,0,0,1|1,1,0]=4 678 B11R1.166 OC(=O)C1=NC=C(Cl)N=C1Cl AK-51403 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.166 OC(=O)C1=NC=C(F)C=C1Cl AK109963 [0,1,0,0,0,1|1,1,0]=4 680 B11R1.166 OC1=CC(=NC=C1C(=O)O)C AK-25007 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.645 O=C(O)CC1=C(C)NC(S1)=S AK-34759 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [0,1,0,0,0,1|1,1,0]=4 683 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [0,1,0,0,0,1|1,1,0]=4 685 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [0,1,0,0,0,1|1,0,0]=3 687 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [0,1,0,0,0,1|1,0,0]=3 688 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [0,1,0,0,0,1|1,1,0]=4 694 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 AK-76962 [0,1,0,0,0,1|1,1,0]=4 697 B11R1.23 COC(=O)C1=NC(Br)=CC=N1 AK110267 [0,1,0,0,0,1|1,1,0]=4 698 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [0,1,0,0,0,1|1,0,0]=3 701 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [0,1,0,0,0,1|1,1,0]=4 702 B11R1.23 ClC1=CC(=CN=N1)C(=O)OC AK-32830 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.23 ClC1=CC=NC(=C1)C(=O)NC AK-28999 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.23 ClC1=CN=CC(=N1)C(=O)OC AK-29037 [0,1,0,0,0,1|1,0,0]=3 706 B11R1.23 ClC1=NC=CC(=N1)C(=O)OC AK-33388 [0,1,0,0,0,1|1,0,0]=3 707 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,1,0,0,0,1|1,1,0]=4 708 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.23 NC1=CN=CC(=N1)C(=O)OC AK-28731 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AK-60929 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O AK-10035 [0,1,0,0,0,1|1,0,1]=4 712 B11R1.23 O=C(C1=NC(Br)=CN=C1)OC AK-39151 [0,1,0,0,0,1|1,1,0]=4 713 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [0,1,0,0,0,1|1,0,0]=3 715 B11R1.23 O=C(C1=NC(N)=NC=C1)OC AK-76214 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.23 O=C(C1=NC=NC(Cl)=C1)OC AK-64323 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.23 O=C(C=1C=CNC(N1)=O)OC AK-76285 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 AK-38402 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,1,0,0,0,1|1,1,0]=4 721 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,1,0,0,0,1|1,0,0]=3 722 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,1,0,0,0,1|1,1,0]=4 723 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [0,1,0,0,0,1|1,1,0]=4 725 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [0,1,0,0,0,1|1,1,0]=4 726 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [0,1,0,0,0,1|1,1,0]=4 728 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.74 BrC1=CC(=CC(=C1)C(=O)O)C AK-35753 [0,1,0,0,0,1|1,1,0]=4 730 B11R1.74 BrC1=NC(=CC(=C1)C(=O)O)Br AK-25563 [0,1,0,0,0,1|1,1,0]=4 731 B11R1.74 C1=C(C=C(C=C1C(O)=O)C)C AK-45888 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.74 C1=C(C=C(C=C1C(O)=O)Cl)Cl AK-47334 [0,1,0,0,0,1|1,0,0]=3 733 B11R1.74 C1=C(C=C(C=C1C(O)=O)F)C AK-35437 [0,1,0,0,0,1|1,1,0]=4 734 B11R1.74 C1=C(C=C(C=C1C(O)=O)F)F AK-29265 [0,1,0,0,0,1|1,1,0]=4 735 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 AK-88050 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.74 CC(C1=CC(Cl)=CC(Cl)=C1)=O AK-86403 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.74 CC1=CC(=CC(C)=N1)C(O)=O AK-29366 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.74 CC1=CC(=CC(N)=C1)C(O)=O AK-34242 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C AK-23860 [0,1,0,0,0,1|1,0,0]=3 740 B11R1.74 ClC1=CC(=NC(=C1)C(=O)O)Cl AK-32490 [0,1,0,0,0,1|1,0,0]=3 741 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)F AK-37396 [0,1,0,0,0,1|1,1,0]=4 742 B11R1.74 NC1=CC(Cl)=CC(=C1)C(O)=O AK-45965 [0,1,0,0,0,1|1,0,0]=3 743 B11R1.74 NC1=CC(O)=CC(=C1)C(O)=O AK-59360 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.74 O=C(C1=NC(Cl)=NC(Cl)=C1)N AK-75611 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.74 O=C(C=1C=C(Cl)NC(C1)=O)O AK151344 [0,1,0,0,0,1|1,0,0]=3 746 B11R1.74 O=C(C=1NC(=O)NC(C1)=O)O AK-30280 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.74 O=C(Cl)C1=CC(Cl)=NC(Cl)=C1 AK113177 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.74 O=C(Cl)C1=NC(Cl)=NC(Cl)=C1 AK-34454 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 AK-73084 [0,1,0,0,0,1|1,1,0]=4 750 B11R1.74 O=C(O)C1=CC(Br)=CC(N)=C1 AK-61316 [0,1,0,0,0,1|1,1,0]=4 751 B11R1.74 O=C(O)C1=CC(C)=CC(Cl)=C1 AK-75961 [0,1,0,0,0,1|1,0,0]=3 752 B11R1.74 O=C(O)C1=CC(C)=CC(O)=C1 AK-47209 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.74 O=C(O)C1=CC(C)=NC(Cl)=C1 AK-25667 [0,1,0,0,0,1|1,0,0]=3 754 B11R1.74 O=C(O)C1=CC(C)=NC(O)=C1 AK-48984 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=C1 AK-76578 [0,1,0,0,0,1|1,0,0]=3 756 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 AK-29357 [0,1,0,0,0,1|1,0,0]=3 757 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 AK115966 [0,1,0,0,0,1|1,1,0]=4 758 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 AK-33873 [0,1,0,0,0,1|1,1,0]=4 759 B11R1.74 O=C(O)C1=CC(N)=CC(N)=C1 AK-41179 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 AK107678 [0,1,0,0,0,1|1,0,0]=3 761 B11R1.74 O=C(O)C1=CC(O)=CC(F)=C1 AK-67889 [0,1,0,0,0,1|1,1,0]=4 762 B11R1.74 O=C(O)C1=CC(O)=CC(N)=C1 AK-36312 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 AK-44160 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.74 O=C(O)C1=NC(C)=CC(C)=C1 AK-33798 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.74 O=C(O)C1=NC(C)=CC(Cl)=C1 AK174217 [0,1,0,0,0,1|1,0,0]=3 766 B11R1.74 O=C1NC(C=C(N1)C(O)=O)=O AK-94167 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.74 OC(=O)C1=CC(Cl)=CC(I)=C1 AK-34536 [0,1,0,0,0,1|1,0,0]=3 768 B11R1.74 OC(=O)C1=CC(I)=CC(F)=C1 AK-36219 [0,1,0,0,0,1|1,1,0]=4 769 B11R1.74 OC(=O)C1=CC(I)=CC(I)=C1 AK-79041 [0,1,0,0,0,1|1,1,0]=4 770 B11R1.159 BrC1=C(C(=O)O)C=CC=C1C AK-28470 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.159 BrC1=C(C(=O)O)C=CC=C1F AK-25368 [0,1,0,0,0,1|1,1,0]=4 772 B11R1.159 BrC1=CC=CC(=C1Cl)C(=O)O AK-41763 [0,1,0,0,0,1|1,1,0]=4 773 B11R1.159 BrC1=CC=CC(=C1O)C(=O)O AK-24666 [0,1,0,0,0,1|1,1,0]=4 774 B11R1.159 C1=C(C(=C(C=C1)C)N)C(O)=O AK-35167 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.159 C1=C(C(=C(C=C1)F)C)C(O)=O AK-26272 [0,1,0,0,0,1|1,1,0]=4 776 B11R1.159 C1=C(C(=C(C=C1)O)N)C(O)=O AK-35611 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)C AK-26167 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)Cl AK-29499 [0,1,0,0,0,1|1,0,0]=3 779 B11R1.159 C1=CC=C(C(=C1C(O)=O)N)F AK-29556 [0,1,0,0,0,1|1,1,0]=4 780 B11R1.159 C1=CC=C(C(=C1C(O)=O)O)F AK-34755 [0,1,0,0,0,1|1,1,0]=4 781 B11R1.159 CC(C1=CC=CC(Cl)=C1Cl)=O AK-75733 [0,1,0,0,0,1|2,0,0]=4 782 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O AK-34682 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.159 CC1=C(O)C=CC=C1C(O)=O AK-45470 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.159 CC1=CC=CC(C(O)=O)=C1I AK-61437 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.159 CN1C(=O)C=CC=C1C(O)=O AK-84571 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O AK-35914 [0,1,0,0,0,1|1,0,0]=3 787 B11R1.159 FC1=C(C(=O)O)C=CC=C1I AK-35201 [0,1,0,0,0,1|1,1,0]=4 788 B11R1.159 FC1=CC=CC(=C1I)C(=O)O AK-34964 [0,1,0,0,0,1|1,1,0]=4 789 B11R1.159 FC1=NC=CC(=C1F)C(=O)O AK-36566 [0,1,0,0,0,1|1,1,0]=4 790 B11R1.159 NC1=C(C=CN=C1Cl)C(O)=O AK-55039 [0,1,0,0,0,1|1,0,0]=3 791 B11R1.159 NC1=C(Cl)C=CC=C1C(O)=O AK-31072 [0,1,0,0,0,1|1,0,0]=3 792 B11R1.159 NC1=CC=CC(=C1Cl)C(=O)O AK-32822 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.159 O=C(C1=CC=CC(N1O)=O)O AK-88861 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.159 O=C(C1=NC=NC(Cl)=C1Cl)O AK101579 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.159 O=C(N)C1=CC=CC(Cl)=C1F AK305347 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.159 O=C(O)C1=CC=CC(Br)=C1C AK-27090 [0,1,0,0,0,1|1,1,0]=4 797 B11R1.159 O=C(O)C1=CC=CC(Br)=C1F AK-23680 [0,1,0,0,0,1|1,1,0]=4 798 B11R1.159 O=C(O)C1=CC=CC(Br)=C1I AK-73145 [0,1,0,0,0,1|1,1,0]=4 799 B11R1.159 O=C(O)C1=CC=CC(Br)=C1N AK-28094 [0,1,0,0,0,1|1,1,0]=4 800 B11R1.159 O=C(O)C1=CC=CC(C)=C1F AK-34640 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Cl AK-48292 [0,1,0,0,0,1|1,0,0]=3 802 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1F AK-29899 [0,1,0,0,0,1|1,0,0]=3 803 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I AK-68531 [0,1,0,0,0,1|1,0,0]=3 804 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O AK-75898 [0,1,0,0,0,1|1,0,0]=3 805 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl AK-32695 [0,1,0,0,0,1|1,1,0]=4 806 B11R1.159 O=C(O)C1=CC=CC(F)=C1F AK-48902 [0,1,0,0,0,1|1,1,0]=4 807 B11R1.159 O=C(O)C1=CC=CC(I)=C1N AK-64570 [0,1,0,0,0,1|1,1,0]=4 808 B11R1.159 O=C(O)C1=CC=CC(N)=C1C AK-45495 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.159 O=C(O)C1=CC=CC(N)=C1F AK-36851 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.159 O=C(O)C1=CC=CC(O)=C1O AK-24541 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.159 O=C(O)C1=CC=NC(Br)=C1Br AK-86977 [0,1,0,0,0,1|1,1,0]=4 812 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1C AK-81020 [0,1,0,0,0,1|1,0,0]=3 813 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Cl AK-28927 [0,1,0,0,0,1|1,0,0]=3 814 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AK127033 [0,1,0,0,0,1|1,1,0]=4 815 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl AK144516 [0,1,0,0,0,1|1,1,0]=4 816 B11R1.159 O=C(O)C1=CN=CC(Br)=C1N AK112514 [0,1,0,0,0,1|1,1,0]=4 817 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O AK-84818 [0,1,0,0,0,1|1,1,0]=4 818 B11R1.159 OC(=O)C1=C(Br)C(Cl)=CC=C1 AK-35679 [0,1,0,0,0,1|1,0,0]=3 819 B11R1.159 OC(=O)C1=C(Br)C(I)=CC=C1 AK-28155 [0,1,0,0,0,1|1,1,0]=4 820 B11R1.167 BrC1=C(C(=O)O)C=C(C=N1)Br AK-34554 [0,1,0,0,0,1|1,1,0]=4 821 B11R1.167 BrC1=CC(=C(N=C1)Cl)C(=O)O AK-23807 [0,1,0,0,0,1|1,1,0]=4 822 B11R1.167 BrC1=CC(=C(N=C1)F)C(=O)O AK-26870 [0,1,0,0,0,1|1,1,0]=4 823 B11R1.167 BrC1=NC=C(C(=C1)C(=O)O)Br AK-62144 [0,1,0,0,0,1|1,1,0]=4 824 B11R1.167 BrC1=NC=C(N=C1C(=O)O)Br AK-31824 [0,1,0,0,0,1|1,1,0]=4 825 B11R1.167 C1=C(Br)C=CC(=C1C(O)=O)Br AK-26176 [0,1,0,0,0,1|1,1,0]=4 826 B11R1.167 C1=C(C(=CC=C1Br)C)C(O)=O AK-26338 [0,1,0,0,0,1|1,1,0]=4 827 B11R1.167 C1=C(C(=CC=C1C)Br)C(O)=O AK-30136 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.167 C1=C(C(=CC=C1C)F)C(O)=O AK-34671 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.167 C1=C(C(=CC=C1Cl)Br)C(O)=O AK-28994 [0,1,0,0,0,1|1,0,0]=3 830 B11R1.167 C1=C(C(=CC=C1Cl)C)C(O)=O AK-32605 [0,1,0,0,0,1|1,0,0]=3 831 B11R1.167 C1=C(C(=CC=C1F)N)C(O)=O AK-35193 [0,1,0,0,0,1|1,1,0]=4 832 B11R1.167 C1=C(C(=CC=C1O)C)C(=O)O AK-40532 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.167 C1=C(C(=NC=C1Br)N)C(=O)O AK-23512 [0,1,0,0,0,1|1,1,0]=4 834 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)C AK-48911 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)N AK-34555 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.167 C1=C(Cl)C=CC(=C1C(C)=O)Cl AK-73074 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O AK-44071 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.167 C1=C(Cl)C=CC(=C1C(O)=O)Cl AK-47665 [0,1,0,0,0,1|1,0,0]=3 839 B11R1.167 C1=C(Cl)C=CC(=C1C(O)=O)N AK-26989 [0,1,0,0,0,1|1,0,0]=3 840 B11R1.167 C1=C(I)C=CC(=C1C(O)=O)N AK-35517 [0,1,0,0,0,1|1,1,0]=4 841 B11R1.167 C1=C(N)C=CC(=C1C(O)=O)Cl AK-36786 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.167 C1=C(N)C=CC(=C1C(O)=O)O AK-72925 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.167 C1=CC(=NC(=C1Cl)C(O)=O)Cl AK-25485 [0,1,0,0,0,1|1,0,0]=3 844 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 AK-28102 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 AK-30762 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.167 CC(C1=CC(Cl)=CC=C1Br)=O AK-51654 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.167 CC(C1=CC(Cl)=CC=C1F)=O AK-76691 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.167 CC(C1=NC(Cl)=NC=C1C)=O AK-92912 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.167 CC1=C(N=C(Cl)N=C1)C(O)=O AK-31572 [0,1,0,0,0,1|1,0,0]=3 850 B11R1.167 CC1=CC=C(C)C(=N1)C(O)=O AK-76881 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.167 CC1=NC(C(O)=O)=C(C)N=C1 AK-80652 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.167 CC1=NC(C(O)=O)=C(Cl)C=N1 AK100033 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.167 CC1=NC=C(C(=N1)C(=O)O)Br AK-23643 [0,1,0,0,0,1|2,0,0]=4 854 B11R1.167 CC1=NC=C(N)C(=C1)C(O)=O AK-55124 [0,1,0,0,0,1|2,0,0]=4 855 B11R1.167 ClC1=C(C(=O)O)C=C(C=N1)Cl AK-27047 [0,1,0,0,0,1|1,0,0]=3 856 B11R1.167 ClC1=C(C=C(N=N1)Cl)C(=O)O AK-35400 [0,1,0,0,0,1|2,0,0]=4 857 B11R1.167 ClC1=NC=C(C=C1C(=O)O)C AK-39746 [0,1,0,0,0,1|2,0,0]=4 858 B11R1.167 FC1=CC(=C(C=C1)I)C(=O)O AK-26068 [0,1,0,0,0,1|1,1,0]=4 859 B11R1.167 IC1=CC(=C(C=C1)C)C(=O)O AK-23836 [0,1,0,0,0,1|1,1,0]=4 860 B11R1.167 NC1=CC(=C(C=C1)Br)C(=O)O AK-34512 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.167 NC1=CC(=C(C=C1)C)C(=O)O AK-24895 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.167 NC1=CC=C(Cl)N=C1C(O)=O AK-39553 [0,1,0,0,0,1|1,0,0]=3 863 B11R1.167 NC1=CC=C(O)C=C1C(O)=O AK-45120 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl AK-26155 [0,1,0,0,0,1|1,0,0]=3 865 B11R1.167 NC1=NC=C(C(=C1)C(=O)O)Br AK-76920 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.167 NC1=NC=C(C=C1C(=O)O)Cl AK-50594 [0,1,0,0,0,1|1,0,0]=3 867 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br AK-21914 [0,1,0,0,0,1|1,1,0]=4 868 B11R1.167 NC1=NC=C(N=C1C(=O)O)Cl AK-30466 [0,1,0,0,0,1|1,0,0]=3 869 B11R1.167 O=C(C1=CC(Br)=CNC1=O)O AK-27746 [0,1,0,0,0,1|1,1,0]=4 870 B11R1.167 O=C(C1=CC(Cl)=CN=C1C)O AK-41038 [0,1,0,0,0,1|1,0,0]=3 871 B11R1.167 O=C(C1=CC(Cl)=NN=C1O)O AK-48296 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.167 O=C(C1=NC(Br)=CN=C1O)O AK-93166 [0,1,0,0,0,1|1,1,0]=4 873 B11R1.167 O=C(C1=NC(Cl)=CC=C1Br)O AK-39554 [0,1,0,0,0,1|1,0,0]=3 874 B11R1.167 O=C(C1=NC(Cl)=CN=C1Br)O AK-31823 [0,1,0,0,0,1|1,0,0]=3 875 B11R1.167 O=C(C1=NC(Cl)=CN=C1Cl)N AK134683 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.167 O=C(C1=NC(Cl)=CN=C1Cl)O AK128606 [0,1,0,0,0,1|1,0,0]=3 877 B11R1.167 O=C(C1=NC(Cl)=CN=C1O)N AK-76972 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.167 O=C(C1=NC(N)=NC=C1Cl)O AK138229 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.167 O=C(N)C1=CC(Cl)=CC=C1Cl AK-88605 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 AK-30394 [0,1,0,0,0,1|1,0,0]=3 881 B11R1.167 O=C(O)C1=C(Br)C=NC(O)=C1 AK-29593 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 AK-36007 [0,1,0,0,0,1|1,0,0]=3 883 B11R1.167 O=C(O)C1=C(Cl)C=NC(C)=C1 AK123459 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.167 O=C(O)C1=C(Cl)C=NC(Cl)=C1 AK-26410 [0,1,0,0,0,1|1,0,0]=3 885 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 AK-25888 [0,1,0,0,0,1|1,1,0]=4 886 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 AK112903 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.167 O=C(O)C1=C(F)C=NC(C)=C1 AK148000 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.167 O=C(O)C1=C(F)C=NC(Cl)=C1 AK-26942 [0,1,0,0,0,1|1,0,0]=3 889 B11R1.167 O=C(O)C1=C(F)N=CC(C)=C1 AK-61406 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.167 O=C(O)C1=C(N)C=NC(Br)=C1 AK-42019 [0,1,0,0,0,1|1,1,0]=4 891 B11R1.167 O=C(O)C1=C(N)C=NC(F)=C1 AK-28881 [0,1,0,0,0,1|1,1,0]=4 892 B11R1.167 O=C(O)C1=C(N)N=CC(C)=C1 AK-29345 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.167 O=C(O)C1=C(N)N=CC(I)=C1 AK-68339 [0,1,0,0,0,1|1,1,0]=4 894 B11R1.167 O=C(O)C1=C(O)C=NC(Cl)=C1 AK-51287 [0,1,0,0,0,1|1,0,0]=3 895 B11R1.167 O=C(O)C1=CC(Br)=CC=C1Cl AK-28993 [0,1,0,0,0,1|1,1,0]=4 896 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F AK-33317 [0,1,0,0,0,1|1,1,0]=4 897 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I AK-25605 [0,1,0,0,0,1|1,1,0]=4 898 B11R1.167 O=C(O)C1=CC(Br)=CC=C1N AK-25578 [0,1,0,0,0,1|1,1,0]=4 899 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O AK-44136 [0,1,0,0,0,1|1,1,0]=4 900 B11R1.167 O=C(O)C1=CC(Br)=CC=C1S AK116283 [0,1,0,0,0,1|1,1,0]=4 901 B11R1.167 O=C(O)C1=CC(C)=CC=C1Cl AK-35943 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.167 O=C(O)C1=CC(C)=CC=C1I AK-35485 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F AK-30325 [0,1,0,0,0,1|1,0,0]=3 904 B11R1.167 O=C(O)C1=CC(F)=CC=C1Br AK-35001 [0,1,0,0,0,1|1,1,0]=4 905 B11R1.167 O=C(O)C1=CC(F)=CC=C1C AK-34724 [0,1,0,0,0,1|1,1,0]=4 906 B11R1.167 O=C(O)C1=CC(F)=CC=C1F AK-29107 [0,1,0,0,0,1|1,1,0]=4 907 B11R1.167 O=C(O)C1=CC(F)=CC=C1O AK-49710 [0,1,0,0,0,1|1,1,0]=4 908 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br AK-40149 [0,1,0,0,0,1|1,1,0]=4 909 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl AK-33887 [0,1,0,0,0,1|1,1,0]=4 910 B11R1.167 O=C(O)C1=CC(I)=CC=C1F AK-28758 [0,1,0,0,0,1|1,1,0]=4 911 B11R1.167 O=C(O)C1=CC(N)=CC=C1F AK-35670 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.167 O=C(O)C1=CC(O)=CC=C1Br AK-77223 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl AK-35680 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.167 O=C(O)C1=CC(O)=CC=C1F AK-35417 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br AK-92200 [0,1,0,0,0,1|1,1,0]=4 916 B11R1.167 O=C(O)C1=NC(C)=CC=C1O AK123475 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1C AK-47252 [0,1,0,0,0,1|1,0,0]=3 918 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F AK113170 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1N AK157328 [0,1,0,0,0,1|1,0,0]=3 920 B11R1.167 O=C(O)C1=NC(F)=CC=C1Br AK-89900 [0,1,0,0,0,1|1,1,0]=4 921 B11R1.167 O=C(O)C1=NC(O)=CC=C1C AK-68364 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl AK101774 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 AK-49825 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.167 OC(=O)C1=CC(Br)=NC=C1F AK-53677 [0,1,0,0,0,1|1,1,0]=4 925 B11R1.167 OC1=CC=C(C)C=C1C(O)=O AK-48577 [0,1,0,0,0,1|2,0,0]=4 926 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O AK-29893 [0,1,0,0,0,1|2,0,0]=4 927 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,1,0,0,0,1|1,0,0]=3 928 B11R1.266 C1=C(C=CC=C1C(O)=O)C=O AK-45897 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.266 C1=CC(=NC(=N1)SC)C(=O)O AK-23650 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.266 CC(C1=CC=CC(CCl)=C1)=O AK-86175 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.266 CCC1=CC=CC(=N1)C(O)=O AK-65227 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.266 COC1=CC(=CN=C1)C(=O)O AK-40655 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.266 COC1=NC(=CN=C1)C(O)=O AK-66990 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.266 O=C(C1=NC(CO)=CC=C1)O AK-40085 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.266 O=C(C1=NC(NC)=CN=C1)O AK-35586 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.266 O=C(C1=NC=CC(OC)=N1)O AK-37494 [0,1,0,0,0,1|2,0,0]=4 938 B11R1.266 O=C(O)C1=CC=CC(C#N)=C1 AK-68392 [0,1,0,0,0,1|2,0,0]=4 939 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,1,0,0,0,1|1,1,0]=4 940 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,1,0,0,0,1|2,0,0]=4 941 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,1,0,0,0,1|2,0,0]=4 942 B11R1.266 O=C(O)C1=CC=NC(C=O)=C1 AK-77221 [0,1,0,0,0,1|2,0,0]=4 943 B11R1.266 O=C(O)C1=CC=NC(OC)=C1 AK-26853 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.266 O=C(O)C1=NC(C=O)=CC=C1 AK145136 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.266 O=C(O)C1=NC(CN)=CC=C1 AK152008 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.266 O=C(O)C1=NC(OC)=CC=C1 AK-29968 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.266 O=C(O)C1=NC=CC(OC)=C1 AK-29096 [0,1,0,0,0,1|2,0,0]=4 948 B11R1.266 OC(=O)C1=NC(=CC=C1)C#N AK-68141 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.15 C1=C(C(OCC)=O)SC(=N1)N AK-24490 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.15 C1=C(N=C(O1)Cl)C(=O)OCC AK-22054 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.15 CCOC(=O)C1=CC(Cl)=CS1 AK100368 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.15 CCOC(=O)C1=CC=C(C)N1 AK-34707 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.15 CCOC(=O)C1=CN=C(C)S1 AK-28121 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.15 ClC1=CC=C(S1)C(=O)OCC AK-35710 [0,2,0,0,0,0|0,0,0]=2 956 B11R1.15 ClC1=NC=C(S1)C(=O)OCC AK-24491 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.15 ClC1=NN=C(S1)C(=O)OCC AK-30089 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.15 O=C(C1=CC=C(Br)S1)OCC AK-35711 [0,2,0,0,0,0|0,1,0]=3 959 B11R1.15 O=C(C1=CN=C(Br)S1)OCC AK-44741 [0,2,0,0,0,0|1,1,0]=4 960 B11R1.15 O=C(C1=CN=C(Cl)O1)OCC AK-77693 [0,2,0,0,0,0|1,1,0]=4 961 B11R1.15 O=C(C1=CSC(Cl)=N1)OCC AK-39574 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.44 C(=O)C1=CC=C(S1)C(=O)OC AK-48442 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.44 COC(=O)C1=COC(CCl)=N1 AK-24875 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.44 ClCC1=NC(=CS1)C(=O)OC AK-24874 [0,2,0,0,0,0|2,0,0]=4 965 B11R1.225 CC1=C(SC(=N1)N)C(=O)OC AK-46664 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.225 O=C(C1=C(Br)SC(Cl)=N1)OC AK138805 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.225 O=C(C1=C(N)C=C(Br)S1)OC AK-77276 [0,2,0,0,0,0|0,1,0]=3 968 B11R1.225 O=C(C1=C(N)C=C(C)S1)OC AK-79409 [0,2,0,0,0,0|1,0,0]=3 969 B11R1.225 O=C(C1=C(N)C=C(I)S1)OC AK-51537 [0,2,0,0,0,0|0,1,0]=3 970 B11R1.225 O=C(C1=C(N)SC(Cl)=C1)OC AK153104 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.225 O=C(C1=C(O)C=C(Cl)S1)OC AK-38695 [0,2,0,0,0,0|0,0,0]=2 972 B11R1.225 OC1=C(SC(=C1)C)C(=O)OC AK-38893 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.226 NC1=C(SC(=C1)C(=O)OC)Cl AK-22057 [0,2,0,0,0,0|0,0,0]=2 974 B11R1.226 O=C(C1=CC(Br)=C(Cl)S1)OC AK174199 [0,2,0,0,0,0|0,0,0]=2 975 B11R1.226 O=C(C1=CC(N)=C(N)S1)OC AK122523 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.175 C1=C(SC(=C1)B(O)O)C(=O)C AK-34035 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.175 C1=C(SC(=C1)[N+](=O)[O-])C(O)=O AK-27084 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.175 O=C(C1=CC=C(C(C)C)N1)O AK465872 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.175 O=C(C1=CC=C(C(O)=O)N1)O AK-93345 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.175 O=C(C1=CC=C(C(O)=O)O1)O AK-44620 [0,2,0,0,0,0|1,1,0]=4 981 B11R1.175 OB(C1=CC=C(C(O)=O)S1)O AK-26004 [0,2,0,0,0,0|1,0,0]=3 982 B11R1.175 S1C(=CC=C1C(=O)O)C(=O)O AK-35132 [0,2,0,0,0,0|1,0,0]=3 983 B11R1.49 C(C)C1=C(SC(=N1)C)C(=O)O AK-56280 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [0,0,1,1,0,0|2,0,0]=4 985 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,0,1,1,0,0|2,0,0]=4 986 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,1,1,0,0|2,0,0]=4 987 B9R1.69 BrC1=C(C=C(C=C1)Cl)O AK-33177 [0,0,1,1,0,0|2,0,0]=4 988 B9R1.69 C1=C(Cl)C=CC(=C1O)N AK-34515 [0,0,1,1,0,0|2,0,0]=4 989 B9R1.69 ClC1=CC(=C(C=C1)F)O AK-25539 [0,0,1,1,0,0|2,0,0]=4 990 B9R1.69 OC1=CC(Cl)=CC=C1I AK-58638 [0,0,1,1,0,0|2,0,0]=4 991 B9R1.2 C1=CC=C(Br)N=C1C=O AK-25797 [1,0,0,0,0,1|1,1,0]=4 992 B9R1.2 C1=NC(=CC(=C1)C=O)Cl AK-32653 [1,0,0,0,0,1|1,0,0]=3 993 B9R1.2 CC1=CC(=CN=C1)C=O AK-28384 [1,0,0,0,0,1|2,0,0]=4 994 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [1,0,0,0,0,1|2,0,0]=4 995 B9R1.2 CC1=NC=CC(=N1)C=O AK-23647 [1,0,0,0,0,1|2,0,0]=4 996 B9R1.2 ClC1=CC(=NC=C1)CO AK-27991 [1,0,0,0,0,1|1,0,1]=4 997 B9R1.2 ClC1=CC(C=C)=NC=C1 AK100297 [1,0,0,0,0,1|2,0,0]=4 998 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [1,0,0,0,0,1|1,0,1]=4 999 B9R1.2 ClC1=CC=CC(=N1)CO AK-28428 [1,0,0,0,0,1|1,0,1]=4 1000 B9R1.2 ClC1=CN=CC(=C1)CO AK-23534 [1,0,0,0,0,1|1,0,1]=4 1001 B9R1.2 ClC1=NC(C=O)=CN=C1 AK-64725 [1,0,0,0,0,1|1,0,0]=3 1002 B9R1.2 FC1=CC(=CN=C1)C=O AK-30355 [1,0,0,0,0,1|1,1,0]=4 1003 B9R1.2 FC1=CC(C=O)=NC=C1 AK-32767 [1,0,0,0,0,1|1,1,0]=4 1004 B9R1.2 FC1=NC(=CC=C1)C=O AK-25580 [1,0,0,0,0,1|1,1,0]=4 1005 B9R1.2 O=CC1=CC=CC(Br)=C1 AK-77027 [1,0,0,0,0,1|1,1,0]=4 1006 B9R1.2 O=CC1=CC=CC(Cl)=C1 AK-68812 [1,0,0,0,0,1|1,0,0]=3 1007 B9R1.2 O=CC1=CC=CC(F)=C1 AK112743 [1,0,0,0,0,1|1,1,0]=4 1008 B9R1.2 O=CC1=CC=CC(I)=C1 AK-50045 [1,0,0,0,0,1|1,1,0]=4 1009 B9R1.2 O=CC1=CC=CC(N)=C1 AK121859 [1,0,0,0,0,1|2,0,0]=4 1010 B9R1.2 O=CC1=CC=CC(O)=C1 AK-77369 [1,0,0,0,0,1|2,0,0]=4 1011 B9R1.2 O=CC1=CC=NC(C)=C1 AK-30085 [1,0,0,0,0,1|2,0,0]=4 1012 B9R1.2 O=CC1=CC=NC(Cl)=C1 AK165004 [1,0,0,0,0,1|1,0,0]=3 1013 B9R1.2 O=CC1=CC=NC(F)=C1 AK-29829 [1,0,0,0,0,1|1,1,0]=4 1014 B9R1.2 O=CC1=CC=NC(O)=C1 AK-24042 [1,0,0,0,0,1|2,0,0]=4 1015 B9R1.2 O=CC1=CN=CC(Br)=C1 AK-25300 [1,0,0,0,0,1|1,1,0]=4 1016 B9R1.2 O=CC1=CN=CC(O)=C1 AK139755 [1,0,0,0,0,1|2,0,0]=4 1017 B9R1.2 O=CC1=NC(C)=CC=C1 AK-45099 [1,0,0,0,0,1|2,0,0]=4 1018 B9R1.2 O=CC1=NC(Cl)=CC=C1 AK-29361 [1,0,0,0,0,1|1,0,0]=3 1019 B9R1.2 O=CC1=NC=CC(Br)=C1 AK-29828 [1,0,0,0,0,1|1,1,0]=4 1020 B9R1.2 OCC1=CC(Cl)=NC=C1 AK-32643 [1,0,0,0,0,1|1,0,1]=4 1021 B9R1.2 OCC1=NC(Cl)=CC=C1 AK-29179 [1,0,0,0,0,1|1,0,1]=4 1022 B9R1.2 OCC1=NC(Cl)=CN=C1 AK-98157 [1,0,0,0,0,1|1,0,1]=4 1023 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [1,0,0,0,0,1|1,0,0]=3 1024 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [1,0,0,0,0,1|0,1,0]=3 1025 B9R1.13 O=C(O)CC1=CN=CN1 AK-35977 [1,0,0,0,0,1|2,0,0]=4 1026 B9R1.13 O=C(O)CC1=NNC=C1 AK153425 [1,0,0,0,0,1|2,0,0]=4 1027 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,0,0,0,0,2|1,1,0]=4 1028 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,0,0,0,0,2|1,1,0]=4 1029 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,0,0,0,0,2|2,0,0]=4 1030 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,0,0,0,0,2|2,0,0]=4 1031 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,0,0,0,0,2|2,0,0]=4 1032 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,0,0,0,0,2|2,0,0]=4 1033 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [0,0,0,0,0,2|1,0,0]=3 1034 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,0,0,0,0,2|1,1,0]=4 1035 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [0,0,0,0,0,2|2,0,0]=4 1036 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,0,0,0,0,2|2,0,0]=4 1037 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,0,0,0,0,2|1,1,0]=4 1038 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,0,0,0,0,2|1,0,0]=3 1039 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,0,0,0,0,2|2,0,0]=4 1040 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [0,0,0,0,0,2|1,0,0]=3 1041 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [0,0,0,0,0,2|1,1,0]=4 1042 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [0,0,0,0,0,2|2,0,0]=4 1043 B11R1.157 CC(NC1=NC=CC(Cl)=C1)=O AK-29058 [0,0,0,0,0,2|2,0,0]=4 1044 B11R1.157 ClC1=CN=CC(=N1)CC(=O)O AK-26671 [0,0,0,0,0,2|1,0,0]=3 1045 B11R1.157 ClC1=NC=CC(=C1)NC(C)=O AK-28783 [0,0,0,0,0,2|2,0,0]=4 1046 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [0,0,0,0,0,2|2,0,0]=4 1047 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 AK113021 [0,0,0,0,0,2|1,1,0]=4 1048 B11R1.157 O=C(O)CC1=CC(N)=NC=C1 AK548242 [0,0,0,0,0,2|2,0,0]=4 1049 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [0,0,0,0,0,2|1,1,0]=4 1050 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [0,0,0,0,0,2|1,1,0]=4 1051 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,0,0,0,0,2|1,1,0]=4 1052 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,0,0,0,0,2|1,0,0]=3 1053 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,0,0,0,0,2|2,0,0]=4 1054 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,0,0,0,0,2|1,0,0]=3