0 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [1,0,0,0,0,0|0,0,3]=4 1 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [1,0,0,0,0,0|0,0,0]=1 2 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [0,0,0,1,0,0|3,0,0]=4 3 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,0|2,0,1]=4 4 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [0,0,0,1,0,0|3,0,0]=4 5 B11R2.1 C[N]1C2=NC=CC=C2C=C1 AK-24546 [0,0,0,1,0,0|3,0,0]=4 6 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 AK-35557 [0,0,0,1,0,0|2,1,0]=4 7 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [0,0,0,1,0,0|2,0,0]=3 8 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.10 C1=CC=NC2=C1OC(N2)=O AK-28047 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [0,0,0,1,0,0|1,1,0]=3 11 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,0,0|2,0,0]=3 12 B11R2.10 CC1=CC2=CC=CN=C2N1 AK-25051 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.10 CC1=NC2=C(S1)C=CC=C2 AK-45781 [0,0,0,1,0,0|2,1,0]=4 14 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [0,0,0,1,0,0|2,0,0]=3 16 B11R2.10 CC1=NC2=NC=CC=C2N1 AK-39947 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.10 CC1=NC2=NC=CC=C2O1 AK-30675 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.10 ClC1=NC2=NC=CC=C2O1 AK170313 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [0,0,0,1,0,0|3,0,0]=4 21 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [0,0,0,1,0,0|2,1,0]=4 22 B11R2.10 NC1=NC2=CC=CC=C2O1 AK-35247 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,0,0,1,0,0|2,0,1]=4 24 B11R2.10 OC1=NC2=CC=CC=C2O1 AK-35787 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.10 S=C1OC2=CC=CN=C2N1 AK-32376 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.10 SC1=NC2=CC=CC=C2O1 AK161762 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.10 SC1=NC2=NC=CC=C2O1 AK-49565 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.1 O=C\C=C\C1=CC=C(C)C=C1 AK101325 [0,0,0,0,0,1|1,0,0]=2 29 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 AK128976 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [0,0,0,0,0,1|2,0,0]=3 32 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|0,0,2]=4 33 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [2,0,0,0,0,0|1,1,0]=4 35 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [2,0,0,0,0,0|0,1,0]=3 36 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [2,0,0,0,0,0|0,0,0]=2 40 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [2,0,0,0,0,0|1,1,0]=4 42 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [2,0,0,0,0,0|1,1,0]=4 44 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.1 OCC1=CC=C(C)O1 AK135169 [2,0,0,0,0,0|0,0,2]=4 46 B10R1.14 C1=C(C(C=O)=O)SC(=C1)Br AK-10033 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 AK-86690 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.21 O=[N+](\C=C\C1=CC=C(C)C=C1)[O-] AK142090 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.21 OC(=O)C=CC1=CC=C(Br)N=C1 AK-80564 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.21 OC(=O)C=CC1=NC=C(F)C=C1 AK103268 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.337 O=C\C=C\C1=CC=C([N+]([O-])=O)O1 AK163281 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.39 OC(=O)C1=C(SC=C1)C=O AK110642 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [0,0,1,1,0,0|1,0,1]=4 63 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [0,0,1,1,0,0|1,0,1]=4 64 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [0,0,1,1,0,0|2,0,0]=4 65 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [0,0,1,1,0,0|0,0,2]=4 66 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [0,0,1,1,0,0|1,0,1]=4 67 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,0,1,1,0,0|1,0,1]=4 68 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [0,0,1,1,0,0|1,0,1]=4 69 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [0,0,1,1,0,0|1,0,1]=4 70 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [0,0,1,1,0,0|1,0,1]=4 71 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [0,0,1,1,0,0|1,0,1]=4 72 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [0,0,1,1,0,0|2,0,0]=4 74 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [0,0,1,1,0,0|2,0,0]=4 76 B10R1.61 O=C1C(=CC=CN1)C(O)=O AK-47329 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.61 O=C1C(=CNC=C1)C(=O)O AK-26174 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [0,0,1,1,0,0|1,0,1]=4 79 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [0,0,1,1,0,0|1,0,1]=4 80 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [0,0,1,1,0,0|1,0,1]=4 81 B10R1.8 C1=C(C=C(C)C=C1C)C=O AK-48944 [0,0,1,1,0,0|1,0,1]=4 82 B10R1.8 CC1=CC(C=O)=CC(O)=C1 AK-76899 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.8 O=CC1=CC(C)=CC(Br)=C1 AK-48923 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.8 O=CC1=CC(C)=CC(F)=C1 AK-33874 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.8 O=CC1=CC(C)=NC(C)=C1 AK-28915 [0,0,1,1,0,0|1,0,1]=4 86 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [0,0,1,1,0,0|1,0,1]=4 87 B10R1.30 BrC1=C(C=O)C=C(C=C1)Br AK-26309 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.30 BrC1=C(C=O)C=C(C=C1)Cl AK-48947 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.30 BrC1=C(C=O)C=C(C=C1)O AK-25723 [0,0,1,1,0,0|1,0,0]=3 90 B10R1.30 BrC1=CC(=C(C=C1)C)C=O AK-36810 [0,0,1,1,0,0|1,0,0]=3 91 B10R1.30 BrC1=CC(=C(C=C1)I)C=O AK-27766 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.30 C1=C(C(=CC=C1Br)F)C=O AK-23808 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.30 C1=C(C(=CC=C1Cl)Cl)C=O AK-47459 [0,0,1,1,0,0|2,0,0]=4 94 B10R1.30 C1=C(C(=CC=C1Cl)F)C=O AK-29629 [0,0,1,1,0,0|2,0,0]=4 95 B10R1.30 C1=C(C(=CC=C1F)Br)C=O AK-36950 [0,0,1,1,0,0|2,0,0]=4 96 B10R1.30 C1=C(C(=CC=C1F)C)C=O AK-27209 [0,0,1,1,0,0|1,0,0]=3 97 B10R1.30 C1=C(C(=CC=C1F)O)C=O AK-24761 [0,0,1,1,0,0|2,0,0]=4 98 B10R1.30 C1=C(C=CC(=C1C=O)F)C AK-29613 [0,0,1,1,0,0|2,0,0]=4 99 B10R1.30 C1=CC(=C(C=C1F)C=O)F AK-46524 [0,0,1,1,0,0|2,0,0]=4 100 B10R1.30 FC1=C(C=O)C=C(C=C1)O AK-24196 [0,0,1,1,0,0|1,0,0]=3 101 B10R1.30 NC1=CC=C(Cl)C=C1C=O AK-30625 [0,0,1,1,0,0|2,0,0]=4 102 B10R1.30 O=CC1=C(C)N=CC(F)=C1 AK146841 [0,0,1,1,0,0|2,0,0]=4 103 B10R1.30 O=CC1=CC(Br)=CC=C1Cl AK-25542 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.30 O=CC1=CC(Br)=CC=C1N AK-26645 [0,0,1,1,0,0|2,0,0]=4 105 B10R1.30 O=CC1=CC(C)=CC=C1Br AK-76557 [0,0,1,1,0,0|2,0,0]=4 106 B10R1.30 O=CC1=CC(C)=CC=C1O AK-30554 [0,0,1,1,0,0|2,0,0]=4 107 B10R1.30 O=CC1=CC(I)=CC=C1Br AK-61395 [0,0,1,1,0,0|2,0,0]=4 108 B10R1.30 O=CC1=CC(O)=CC=C1Cl AK-65101 [0,0,1,1,0,0|1,0,0]=3 109 B10R1.30 OC1=CC(C=O)=C(I)C=C1 AK-81430 [0,0,1,1,0,0|1,0,0]=3 110 B10R1.30 OC1=CC=C(Br)C(CC)=C1 AK207125 [0,0,1,1,0,0|1,0,1]=4 111 B10R1.30 OC1=CC=C(Br)C(OC)=C1 AK-49206 [0,0,1,1,0,0|2,0,0]=4 112 B10R1.30 OC1=CC=C(Br)C=C1C=O AK-49497 [0,0,1,1,0,0|2,0,0]=4 113 B10R1.30 OC1=CC=C(F)C(OC)=C1 AK-94399 [0,0,1,1,0,0|2,0,0]=4 114 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [0,0,1,1,0,0|1,0,1]=4 115 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [0,0,1,1,0,0|1,0,1]=4 116 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [0,0,1,1,0,0|0,0,2]=4 117 B10R1.2 CC1=C(C=O)C=CC=C1C AK-48951 [0,0,1,1,0,0|1,0,1]=4 118 B10R1.2 O=CC1=CC=CC(C)=C1Br AK153145 [0,0,1,1,0,0|2,0,0]=4 119 B10R1.2 OC1=C(C)C=CC=C1C=O AK-45464 [0,0,1,1,0,0|2,0,0]=4 120 B10R2.7 C12=NC=CC=C1OC=C2 AK119994 [1,0,0,1,0,0|1,0,0]=3 121 B10R2.7 C12=NC=CC=C1OC=N2 AK-85807 [1,0,0,1,0,0|2,0,0]=4 122 B10R2.7 C1=CC2=C(N=C1)C=C[NH]2 AK-29974 [1,0,0,1,0,0|2,0,0]=4 123 B10R2.7 C1=CC=CC2=C1N=CO2 AK-47416 [1,0,0,1,0,0|2,0,0]=4 124 B10R2.7 C1=CSC2=C1C=CC=C2 AK-44148 [1,0,0,1,0,0|1,1,0]=4 125 B10R2.7 S1C=CC2=C1C=CC=N2 AK-55220 [1,0,0,1,0,0|1,1,0]=4 126 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [0,0,0,1,0,1|2,0,0]=4 127 B12R2.24 CC1=NC2=NC=CC=C2C=C1 AK-44284 [0,0,0,1,0,1|2,0,0]=4 128 B12R2.202 BrC1=CC2=C(S1)C=CNC2=O AK-47057 [0,1,0,1,0,0|1,1,0]=4 129 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 AK-37464 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.202 CC1=CC2=C(N1)N=CC=C2Cl AK109567 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br AK-80547 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.202 CC=1NC2=C(C1)C(=CC=C2)Br AK-67965 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.202 CC=1SC2=C(C1)C(=NC=C2)Cl AK-27414 [0,1,0,1,0,0|1,1,0]=4 134 B12R2.202 O=C1C=2C=C(C)SC2C=CN1 AK-49958 [0,1,0,1,0,0|0,1,0]=3 135 B12R2.202 O=C1C=2C=C(C)SC2N=CN1 AK-32823 [0,1,0,1,0,0|1,1,0]=4 136 B12R2.202 OC1=CC=CC2=C1C=C(C)N2 AK-23777 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.606 BrC1=CN=C2C(=C1)OC(=N2)C AK-30676 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.606 C1=C([NH]C2=CC=C(C=C12)C)C AK-32967 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.606 CC1=CC2=C(N1)C=C(Cl)C=C2 AK-49978 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.606 CC1=CC2=C(N1)C=C(F)C=C2 AK-82140 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.606 CC1=CC2=C(N1)C=C(O)C=C2 AK105293 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.606 CC1=NC2=C(O1)C=C(Cl)C=C2 AK-85814 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.606 CC1=NC2=C(O1)C=C(N)C=C2 AK-29411 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.606 CC1=NC2=C(O1)C=CC(O)=C2 AK104913 [0,1,0,1,0,0|1,0,1]=4 145 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 AK-30558 [0,1,0,1,0,0|2,0,0]=4 146 B12R2.606 CC1=NC2=CC(Cl)=CC=C2O1 AK-54057 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.606 CC1=NC2=CC(F)=CC=C2O1 AK202356 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Br AK-25283 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Cl AK-32804 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br AK-67966 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.606 FC1=CC=C2[NH]C(=CC2=C1)C AK-26800 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 AK-28158 [0,1,0,1,0,0|1,1,0]=4 154 B12R2.32 C1=C(OC2=C1C=CC=C2)C#N AK-23549 [0,1,0,1,0,0|1,0,1]=4 155 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.32 CCC1=NC2=CC=CC=C2O1 AK551044 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.32 CCC1=NC2=NC=CC=C2O1 AK-85808 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.32 CSC1=NC2=CC=CC=C2O1 AK108390 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.32 ClCC1=NC2=C(O1)C=CC=C2 AK-61808 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.32 NCC=1NC2=C(C1)C=CC=C2 AK-27799 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.32 O1C2=C(N=C1CO)C=CC=C2 AK-31640 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [0,1,0,1,0,0|1,0,1]=4 163 B12R2.32 OCC1=CC2=CC=CC=C2S1 AK-48826 [0,1,0,1,0,0|1,1,0]=4 164 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [0,1,0,1,0,0|2,0,0]=4