0 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,0,0,0,0,0|0,0,0]=0 11 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,0,0,0,0,0|1,0,3]=4 15 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [0,0,0,0,0,0|0,0,1]=1 18 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AK111240 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [1,0,0,0,0,0|0,0,2]=3 20 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,0,0,0,0,0|0,0,2]=3 23 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [1,0,0,0,0,0|0,0,3]=4 27 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,0,0,0,0,0|0,0,3]=4 28 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [1,0,0,0,0,0|1,0,1]=3 29 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,1,0,0,0,0|0,0,2]=3 31 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,1,0,0,0,0|1,0,2]=4 32 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [0,1,0,0,0,0|0,0,2]=3 34 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,1,0,0,0,0|0,0,2]=3 36 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,1,0,0,0,0|0,0,2]=3 37 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 AK-86690 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.21 O=[N+](\C=C\C1=CC=C(C)C=C1)[O-] AK142090 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,1,0,0,0,0|0,0,0]=1 44 B12R1.21 OC(=O)C=CC1=CC=C(Br)N=C1 AK-80564 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.21 OC(=O)C=CC1=NC=C(F)C=C1 AK103268 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,1,0,0,0,0|0,0,0]=1 52 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,1,0,0,0,0|1,0,1]=3 56 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,1,0,0,0,0|1,0,2]=4 58 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,0,0|0,0,2]=3 59 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,1,0,0,0,0|0,0,1]=2 60 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,0,0|1,0,2]=4 61 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,0,0|0,0,2]=3 63 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,1,0,0,0,0|1,0,2]=4 65 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,1,0,0,0,0|1,0,2]=4 70 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,0,0|0,0,2]=3 71 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,0,0|0,0,2]=3 72 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,1,0,0,0,0|1,0,2]=4 73 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,0,0|0,0,2]=3 75 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,1,0,0,0,0|0,0,2]=3 77 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [0,1,0,0,0,0|1,0,2]=4 83 B12R1.107 O=C(O)CN(C)C1=NC=CC=C1 AK132907 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,1,0,0,0,0|0,0,2]=3 86 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,1,0,0,0,0|0,0,2]=3 87 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,1,0,0,0,0|0,0,2]=3 88 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [0,1,0,0,0,0|1,0,2]=4 89 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,1,0,0,0,0|0,0,2]=3 90 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,1,0,0,0,0|0,0,2]=3 92 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,1,0,0,0,0|0,0,2]=3 93 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.125 O=[N+](\C=C\C1=CC=CC=C1Cl)[O-] AK686774 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [0,1,0,0,0,0|0,0,2]=3 97 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,1,0,0,0,0|0,0,2]=3 99 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [0,1,0,0,0,0|0,0,2]=3 100 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [0,1,0,0,0,0|0,0,2]=3 101 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.226 O=[N+](\C=C\C1=CC(F)=CC=C1)[O-] AK113142 [0,1,0,0,0,0|1,0,1]=3 105 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [0,1,0,0,0,0|1,0,1]=3 106 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 AK-23692 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AK-27162 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.24 BrC1=CC=C2C(=C1)C=NC=C2 AK-26157 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 AK-26028 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 AK-31792 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 AK-78425 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.24 C1=C(Br)C=CC2=C1C=CN=C2 AK-23508 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.24 C1=C(C=C2C(=C1)N=CC=C2)Cl AK-26786 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.24 C1=C(F)C=CC2=C1C=CC=N2 AK-30337 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.24 C1=C(N)C=CC2=C1N=CC=C2 AK-23984 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.24 C1=C(N)N=CC2=CC=CC=C12 AK-27774 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.24 C1=C(O)C=CC2=NC=CC=C12 AK-26149 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.24 C1=C2C(=CC=C1Br)C=CC=C2 AK-35732 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 C1=C2C(=NC=C1Cl)C=CC=C2 AK-39638 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.24 C1=C2C(=NC=C1O)C=CC=C2 AK-26151 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.24 C1=CC(=CC2=C1C=CC=N2)Cl AK-39660 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.24 C1=CC2=C(N=C1N)C=CC=C2 AK-26798 [0,0,0,1,0,0|2,0,0]=3 123 B12R2.24 C1=CC=C2C(=N1)C=CC(=C2)Br AK-26082 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,0|1,0,2]=4 125 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.24 C1=CC=CC2=CC=C(N=C12)Br AK-24234 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.24 C1=CC=CC2=CC=C(N=C12)Cl AK-27768 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.24 C1=NC(=NC2=C1C=CC=C2)Cl AK-27695 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.24 C1=NC=CC2=CC=C(C=C12)N AK-25639 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.24 CC1=NC2=NC=CC=C2C=C1 AK-44284 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.24 ClC1=CC2=C(C=C1)C=CN=C2 AK-39352 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.24 ClC1=CC2=C(C=NC=C2)C=C1 AK-35918 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AK-24474 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 ClC1=CC=C2C=CC=NC2=N1 AK-28846 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 AK-47004 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 AK-38087 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 FC1=CC2=C(C=CN=C2)C=C1 AK-54877 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 FC1=CC2=C(C=NC=C2)C=C1 AK-47714 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 AK110894 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.24 IC1=CC=C2N=CC=CC2=C1 AK-28766 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 N1=C2C=CC(NC2=NC=C1)=O AK-31206 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 NC1=CC=C2C=CC=NC2=C1 AK173105 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 NC1=CC=C2C=NC=CC2=C1 AK-27243 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AK-29433 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.24 NC1=NC2=C(C=CC=C2)N=C1 AK-30450 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.24 NC1=NC2=CC=CC=C2C=N1 AK-24681 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.24 NC1=NC2=CC=CN=C2C=C1 AK-33784 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.24 NC1=NC2=NC=CC=C2C=C1 AK-60468 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,0,0|2,0,1]=4 151 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,0,0,1,0,0|2,0,1]=4 152 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,0,0|2,0,1]=4 153 B12R2.24 O=C1NC2=CC=CN=C2C=C1 AK-38086 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.24 O=C1NC2=CN=CC=C2C=C1 AK-40195 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.24 OC1=CC2=C(C=NC=C2)C=C1 AK-24368 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AK-24768 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.24 OC1=CC=C2N=CC=NC2=C1 AK112533 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [0,0,0,1,0,0|1,0,0]=2 159 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AK-28738 [0,0,0,1,0,0|2,0,0]=3 160 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,1,0|2,0,1]=4 161 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,1,0|1,0,1]=3 162 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,1,0|1,0,1]=3 163 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,1,0|2,0,1]=4 164 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,1,0|2,0,0]=3 165 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [0,0,0,0,1,0|2,0,1]=4 166 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,1,0|2,0,1]=4 167 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [0,0,0,0,1,0|3,0,0]=4 168 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,1,0|1,0,1]=3 169 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,1,0|2,0,1]=4 170 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,1,0|1,0,1]=3 171 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,0,0,0,1,0|2,0,0]=3 172 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,1,0|1,0,1]=3 173 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [0,0,0,0,1,0|2,1,0]=4 174 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [0,0,0,0,1,0|2,1,0]=4 175 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,0,0,0,1,0|1,0,2]=4 176 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,0,0,0,0,1|1,0,2]=4 177 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,0,0,0,0,1|0,0,2]=3 178 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [0,0,0,0,0,1|1,0,2]=4 179 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,0,0,0,0,1|0,0,2]=3 180 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,0,0,0,0,1|0,0,2]=3 181 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,0,0,0,0,1|0,0,3]=4 182 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [0,0,0,0,0,1|0,0,2]=3 183 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,0,0,0,0,1|0,0,2]=3 184 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [2,0,0,0,0,0|1,0,1]=4 185 B9R1.8 ONCC1=CC=CC=C1 AK110567 [2,0,0,0,0,0|1,0,1]=4 186 B11R1.1 O=C\C=C\C1=CC=C(C)C=C1 AK101325 [1,1,0,0,0,0|0,0,0]=2 187 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 AK128976 [1,1,0,0,0,0|0,0,0]=2 188 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [1,1,0,0,0,0|0,0,0]=2 189 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [1,1,0,0,0,0|0,0,0]=2 190 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,1,0,0,0,0|0,0,2]=4 191 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,1,0,0,1,0|1,0,1]=4 193 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,1,0,0,1,0|0,0,1]=3 194 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,1,0,0,1,0|1,0,1]=4 195 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,1,0,0,1,0|0,0,1]=3 196 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,1,0,0,1,0|2,0,0]=4 197 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,1,0,0,1,0|2,0,0]=4 198 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,1,0,0,1,0|1,0,1]=4 200 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,1,0,0,1,0|0,0,1]=3 201 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [0,1,0,0,1,0|1,0,1]=4 202 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,1,0,0,1,0|0,0,1]=3 203 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [0,1,0,0,1,0|1,0,1]=4 204 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,1,0,0,1,0|1,0,1]=4 205 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,1,0,0,1,0|0,0,1]=3 206 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,1,0,0,1,0|0,0,1]=3 207 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,1,0,0,1,0|0,0,1]=3 208 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,1,0,0,1,0|0,0,1]=3 209 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,1,0,0,1,0|0,0,1]=3 210 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,1,0,0,1,0|0,0,1]=3 211 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,1,0,0,1,0|0,0,1]=3 213 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,1,0,0,1,0|0,0,1]=3 214 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,1,0,0,1,0|1,0,1]=4 215 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,1,0,0,1,0|1,0,1]=4 216 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,1,0,0,1,0|1,0,1]=4 217 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,1,0,0,1,0|1,0,1]=4 218 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,1,0,0,1,0|0,0,1]=3 219 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,1,0,0,1,0|0,0,1]=3 220 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,1,0,0,1,0|0,0,1]=3 221 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,1,0,0,1,0|0,0,1]=3 222 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,1,0,0,1,0|0,0,1]=3 223 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,1,0,0,1,0|0,0,1]=3 224 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,1,0,0,1,0|0,0,1]=3 225 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,1,0,0,1,0|1,0,1]=4 226 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,1,0,0,1,0|0,0,1]=3 227 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [0,1,0,0,1,0|0,0,1]=3 228 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,1,0,0,1,0|1,0,1]=4 229 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [0,1,0,0,1,0|0,0,1]=3 232 B11R1.86 NC1=NC=CC=C1CC(O)=O AK-68736 [0,1,0,0,1,0|1,0,1]=4 233 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [0,1,0,0,1,0|0,0,1]=3 234 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [0,1,0,0,1,0|0,0,1]=3 235 B11R1.86 O=C(O)CC1=CC=CN=C1Cl AK139178 [0,1,0,0,1,0|1,0,1]=4 236 B11R1.86 O=C(O)CC1=NC=CC=C1Cl AK-88771 [0,1,0,0,1,0|1,0,1]=4 237 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [0,1,0,0,1,0|0,0,1]=3 238 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [0,1,0,0,1,0|0,0,1]=3 239 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [0,1,0,0,1,0|0,0,1]=3 240 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,1,0,0,1,0|1,0,1]=4 241 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,1,0,0,1,0|1,0,1]=4 242 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [0,1,0,0,1,0|1,0,1]=4 247 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [0,1,0,0,1,0|1,0,1]=4 248 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 AK113021 [0,1,0,0,1,0|1,0,1]=4 249 B11R1.157 O=C(O)CC1=CC(N)=NC=C1 AK548242 [0,1,0,0,1,0|1,0,1]=4 250 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [0,1,0,0,1,0|0,0,1]=3 251 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [0,1,0,0,1,0|0,0,1]=3 252 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,1,0,0,1,0|1,0,1]=4 253 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,1,0,0,1,0|1,0,1]=4 254 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,1,0,0,1,0|1,0,1]=4 255 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,1,0,0,1,0|1,0,1]=4 256 B13R1.45 O=C(O)CC[C@@H](N)C1=CC=CC=C1 AK174392 [0,1,0,0,0,1|0,0,2]=4 257 B13R1.45 O=C(O)CNC(C1=CC=CC=C1)=O AK-42216 [0,1,0,0,0,1|0,0,1]=3 258 B13R1.45 O=C(O)CN[C@@H](C1=CC=CC=C1)C AK160811 [0,1,0,0,0,1|0,0,2]=4 259 B13R1.45 O=C(O)CN[C@H](C1=CC=CC=C1)C AK153106 [0,1,0,0,0,1|0,0,2]=4 260 B13R1.149 NC1=CC=CC(CCCC(O)=O)=C1 AK-36873 [0,1,0,0,0,1|0,0,2]=4 261 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 AK116882 [0,1,0,0,0,1|0,0,2]=4 262 B13R1.158 O=C(O)CCOC1=CC=CC=C1N AK155867 [0,1,0,0,0,1|0,0,2]=4 263 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,1,0,0,0,1|1,0,1]=4 264 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-44152 [0,1,0,0,0,1|0,0,2]=4 265 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-77790 [0,1,0,0,0,1|0,0,2]=4 266 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,1,0,0,0,1|0,0,1]=3 267 B13R1.351 O=C(O)C(N)CCC1=CC=CC=C1 AK-80198 [0,1,0,0,0,1|0,0,2]=4 268 B13R1.351 O=C(O)[C@@H](N)CCC1=CC=CC=C1 AK-47396 [0,1,0,0,0,1|0,0,2]=4 269 B13R1.351 O=C(O)[C@H](N)CCC1=CC=CC=C1 AK-44092 [0,1,0,0,0,1|0,0,2]=4 270 B13R1.351 [C@H](O)(C(=O)O)CCC1=CC=CC=C1 AK-34569 [0,1,0,0,0,1|0,0,2]=4 271 B13R1.513 C1=C(C=CC(=C1)O)CCCC(=O)O AK-25224 [0,1,0,0,0,1|0,0,2]=4 272 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 AK-81606 [0,1,0,0,0,1|0,0,2]=4 273 B13R1.513 O=C(O)CCCC1=CC=C(C)C=C1 AK-92957 [0,1,0,0,0,1|0,0,2]=4 274 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 AK-38450 [0,1,0,0,0,1|0,0,2]=4 275 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 AK327765 [0,1,0,0,0,1|0,0,2]=4 276 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 AK162891 [0,1,0,0,0,1|0,0,2]=4 277 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [0,1,0,0,0,1|0,0,2]=4 278 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [0,1,0,0,0,1|0,0,2]=4 279 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [0,1,0,0,0,1|0,0,2]=4 280 B13R1.3 C(#N)C1=CC=C(C=C1)CCC(=O)O AK-45844 [0,2,0,0,0,0|0,0,2]=4 281 B13R1.3 COC1=CC=C(C=CC(O)=O)C=C1 AK-98686 [0,2,0,0,0,0|0,0,0]=2 282 B13R1.3 O=C(O)C#CC1=CC=C(OC)C=C1 AK-98790 [0,2,0,0,0,0|0,0,2]=4 283 B13R1.3 O=C(O)CCC1=CC=C(OC)C=C1 AK-88471 [0,2,0,0,0,0|0,0,2]=4 284 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 AK-49065 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.3 O=C(O)COC1=CC=C(C=O)C=C1 AK306098 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 AK-45551 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.3 O=C(O)COC1=CC=C(OC)C=C1 AK140534 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.3 O=C(O)\C=C\C1=CC=C(SC)C=C1 AK305277 [0,2,0,0,0,0|0,0,0]=2 289 B13R1.3 O=[N+](\C=C\C1=CC=C(OC)C=C1)[O-] AK677721 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,2,0,0,0,0|0,0,2]=4 291 B13R1.14 COC(=O)/C=C/C1=CC=C(O)C=C1 AK109487 [0,2,0,0,0,0|0,0,0]=2 292 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,2,0,0,0,0|0,0,2]=4 293 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,2,0,0,0,0|0,0,2]=4 294 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,2,0,0,0,0|0,0,2]=4 295 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,2,0,0,0,0|0,0,2]=4 296 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 AK117162 [0,2,0,0,0,0|0,0,0]=2 298 B13R1.14 O=C(OC)\C=C\C1=CC=C(O)C=C1 AK-49067 [0,2,0,0,0,0|0,0,0]=2 299 B13R1.132 O=C(O)CC(N)C1=CC=C(Br)C=C1 AK-44663 [0,2,0,0,0,0|0,0,2]=4 300 B13R1.132 O=C(O)CC(N)C1=CC=C(C)C=C1 AK-44082 [0,2,0,0,0,0|0,0,2]=4 301 B13R1.132 O=C(O)CC(N)C1=CC=C(Cl)C=C1 AK-47545 [0,2,0,0,0,0|0,0,2]=4 302 B13R1.132 O=C(O)CC(N)C1=CC=C(F)C=C1 AK-39870 [0,2,0,0,0,0|0,0,2]=4 303 B13R1.133 CC1=CC=C(CC(N)C(O)=O)C=C1 AK-35255 [0,2,0,0,0,0|0,0,2]=4 304 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O AK111064 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.133 C\C([N+]([O-])=O)=C/C1=CC=C(Br)C=C1 AK544509 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.133 FC1=CC=C(C[C@H](N)C(=O)O)C=C1 AK-25301 [0,2,0,0,0,0|0,0,2]=4 307 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(O)=O AK-49382 [0,2,0,0,0,0|0,0,2]=4 308 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(O)=O AK-80383 [0,2,0,0,0,0|0,0,2]=4 309 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(O)=O AK-93419 [0,2,0,0,0,0|0,0,2]=4 310 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(O)=O AK-49989 [0,2,0,0,0,0|0,0,2]=4 311 B13R1.133 N[C@H](CC1=CC=C(C)C=C1)C(O)=O AK-81259 [0,2,0,0,0,0|0,0,2]=4 312 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(O)=O AK-49327 [0,2,0,0,0,0|0,0,2]=4 313 B13R1.133 O=C(O)C(N)CC1=CC=C(O)C=C1 AK-81253 [0,2,0,0,0,0|0,0,2]=4 314 B13R1.133 O=C(O)C(NC1=NC=C(Cl)C=C1)=O AK171307 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Br)C=C1 AK-75929 [0,2,0,0,0,0|0,0,2]=4 316 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1 AK-81361 [0,2,0,0,0,0|0,0,2]=4 317 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 AK139122 [0,2,0,0,0,0|0,0,2]=4 318 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(N)C=C1 AK-42598 [0,2,0,0,0,0|0,0,2]=4 319 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(O)C=C1 AK-62832 [0,2,0,0,0,0|0,0,2]=4 320 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(F)C=C1 AK-42471 [0,2,0,0,0,0|0,0,2]=4 321 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(N)C=C1 AK106107 [0,2,0,0,0,0|0,0,2]=4 322 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(O)C=C1 AK-49908 [0,2,0,0,0,0|0,0,2]=4 323 B13R1.133 [C@H](N)(CC1=CC=C(C)C=C1)C(O)=O AK-81281 [0,2,0,0,0,0|0,0,2]=4 324 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O AK-48062 [0,2,0,0,0,0|0,0,2]=4 325 B13R1.164 O=C(O)CCC1=CC=C(Br)C=C1F AK-94712 [0,2,0,0,0,0|0,0,2]=4 326 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br AK-45825 [0,2,0,0,0,0|0,0,2]=4 327 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl AK-45828 [0,2,0,0,0,0|0,0,2]=4 328 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O AK112329 [0,2,0,0,0,0|0,0,2]=4 329 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl AK-47769 [0,2,0,0,0,0|0,0,0]=2 330 B13R1.164 OC(=O)CCC1=C(F)C=C(Cl)C=C1 AK-63830 [0,2,0,0,0,0|0,0,2]=4 331 B13R1.511 O=C(O)CCC1=CC=C(Br)C(F)=C1 AK548708 [0,2,0,0,0,0|0,0,2]=4 332 B13R1.511 O=C(O)CCC1=CC=C(C)C(C)=C1 AK130343 [0,2,0,0,0,0|0,0,2]=4 333 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 AK-34356 [0,2,0,0,0,0|0,0,2]=4 334 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 AK-40959 [0,2,0,0,0,0|0,0,2]=4 335 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 AK548710 [0,2,0,0,0,0|0,0,2]=4 336 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 AK-88787 [0,2,0,0,0,0|0,0,0]=2 337 B13R1.11 O=C(OC)CC(C1=NC=CC=C1)=O AK-50095 [0,2,0,0,0,0|1,0,1]=4 338 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [0,2,0,0,0,0|0,0,2]=4 339 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [0,2,0,0,0,0|0,0,2]=4 340 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 AK-79037 [0,2,0,0,0,0|0,0,2]=4 341 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 AK-83017 [0,2,0,0,0,0|0,0,2]=4 342 B13R1.42 CCOC(=O)C=CC1=CC=NC=C1 AK-49599 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,2,0,0,0,0|0,0,2]=4 344 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,2,0,0,0,0|0,0,2]=4 345 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,2,0,0,0,0|0,0,2]=4 346 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,2,0,0,0,0|0,0,2]=4 347 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,2,0,0,0,0|0,0,2]=4 348 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [0,2,0,0,0,0|0,0,2]=4 349 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(O)=O AK-49664 [0,2,0,0,0,0|0,0,2]=4 350 B13R1.148 NC(CC1=CC(F)=CC=C1)C(O)=O AK-80309 [0,2,0,0,0,0|0,0,2]=4 351 B13R1.148 N[C@@H](CC1=CC=CC(C)=C1)C(O)=O AK-41282 [0,2,0,0,0,0|0,0,2]=4 352 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(O)=O AK-45521 [0,2,0,0,0,0|0,0,2]=4 353 B13R1.148 O=C(O)C(N)CC1=CC=CC(C)=C1 AK-89323 [0,2,0,0,0,0|0,0,2]=4 354 B13R1.148 O=C(O)C(N)CC1=CC=CC(O)=C1 AK-50979 [0,2,0,0,0,0|0,0,2]=4 355 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Br)=C1 AK-77026 [0,2,0,0,0,0|0,0,2]=4 356 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-50137 [0,2,0,0,0,0|0,0,2]=4 357 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-93785 [0,2,0,0,0,0|0,0,2]=4 358 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(N)=C1 AK325880 [0,2,0,0,0,0|0,0,2]=4 359 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(O)=C1 AK-86473 [0,2,0,0,0,0|0,0,2]=4 360 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Br)=C1 AK-94768 [0,2,0,0,0,0|0,0,2]=4 361 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Cl)=C1 AK162592 [0,2,0,0,0,0|0,0,2]=4 362 B13R1.148 [C@H](N)(CC1=CC=CC(F)=C1)C(O)=O AK-81280 [0,2,0,0,0,0|0,0,2]=4 363 B13R1.152 CC(C(C)C(C1=CC=CC=C1)=O)=O AK-36052 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.152 CC(C1=CC=CC=C1)C(N)C(O)=O AK-36440 [0,2,0,0,0,0|0,0,2]=4 365 B13R1.202 C1=C(C(=CC=C1)Cl)CC(C(O)=O)N AK-59197 [0,2,0,0,0,0|0,0,2]=4 366 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(O)=O AK-44107 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1Br AK-80271 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1C AK-89321 [0,2,0,0,0,0|0,0,2]=4 369 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Br AK-89325 [0,2,0,0,0,0|0,0,2]=4 370 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl AK109418 [0,2,0,0,0,0|0,0,2]=4 371 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1O AK172674 [0,2,0,0,0,0|0,0,2]=4 372 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1Br AK-95498 [0,2,0,0,0,0|0,0,2]=4 373 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1C AK109372 [0,2,0,0,0,0|0,0,2]=4 374 B13R1.202 [C@@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-26481 [0,2,0,0,0,0|0,0,2]=4 375 B13R1.202 [C@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-81279 [0,2,0,0,0,0|0,0,2]=4 376 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O AK-40093 [0,2,0,0,0,0|0,0,2]=4 377 B13R1.1073 CC(OC1=CC=CC=C1)(C)C(O)=O AK-96821 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.1073 O=C(O)C(C)(C)CC1=CC=CC=C1 AK-86266 [0,2,0,0,0,0|0,0,2]=4 379 B13R1.147 O=C(O)CC(N)C1=CC=CC(Br)=C1 AK-44480 [0,2,0,0,0,0|0,0,2]=4 380 B13R1.147 O=C(O)CC(N)C1=CC=CC(F)=C1 AK-45520 [0,2,0,0,0,0|0,0,2]=4 381 B13R1.147 O=C(O)C[C@@H](N)C1=CC=CC(F)=C1 AK115418 [0,2,0,0,0,0|0,0,2]=4 382 B13R1.201 N[C@@H](CC(=O)O)C1=C(C=CC=C1)C AK-45136 [0,2,0,0,0,0|0,0,2]=4 383 B13R1.201 O=C(O)C[C@@H](N)C1=CC=CC=C1C AK111346 [0,2,0,0,0,0|0,0,2]=4 384 B13R1.713 O=C(O)CC(C1=CC=CC=C1)CN AK-32807 [0,2,0,0,0,0|0,0,2]=4 385 B13R1.713 O=C(O)C[C@@H](C1=CC=CC=C1)CN AK142717 [0,2,0,0,0,0|0,0,2]=4 386 B13R1.713 O=C(O)C[C@H](C1=CC=CC=C1)CN AK164234 [0,2,0,0,0,0|0,0,2]=4 387 B13R1.90 O=C(O)CCC1=CC=CC=C1C#N AK-45829 [0,2,0,0,0,0|0,0,2]=4 388 B13R1.90 O=C(O)CCC1=CC=CC=C1OC AK164482 [0,2,0,0,0,0|0,0,2]=4 389 B13R1.90 O=C(O)\C=C\C1=CC=CC=C1C=O AK-44934 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1F AK118738 [0,2,0,0,0,0|0,0,2]=4 391 B13R1.893 O=C(O)CCC1=CC(Br)=CC=C1F AK548707 [0,2,0,0,0,0|0,0,2]=4 392 B13R1.893 O=C(O)CCC1=CC(Cl)=CC=C1Cl AK548678 [0,2,0,0,0,0|0,0,2]=4 393 B13R1.893 O=C(O)CCC1=CC(Cl)=CC=C1F AK316588 [0,2,0,0,0,0|0,0,2]=4 394 B13R1.893 O=C(O)\C=C\C1=CC(C)=CC=C1C AK388784 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl AK112248 [0,2,0,0,0,0|0,0,0]=2 396 B13R1.643 COC1=CC=CC(CCC(O)=O)=C1 AK-32748 [0,2,0,0,0,0|0,0,2]=4 397 B13R1.643 O=C(O)CCC1=CC=CC(C#N)=C1 AK-46076 [0,2,0,0,0,0|0,0,2]=4 398 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Br)=C1 AK548682 [0,2,0,0,0,0|0,0,2]=4 399 B11R1.53 C1=CC=CC(=C1C=O)C(O)=O AK-46701 [0,0,1,1,0,0|1,0,0]=3 400 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O AK-44122 [0,0,1,1,0,0|1,0,1]=4 401 B11R1.53 O=C(O)C1=CC=CC=C1C#C AK129466 [0,0,1,1,0,0|0,0,2]=4 402 B11R1.53 O=C(O)C1=CC=CC=C1CC AK-77452 [0,0,1,1,0,0|0,0,2]=4 403 B11R1.53 O=C(O)C1=CC=CC=C1CO AK-35845 [0,0,1,1,0,0|1,0,1]=4 404 B11R1.53 O=C(O)C1=CC=CC=C1OC AK-77451 [0,0,1,1,0,0|1,0,1]=4 405 B11R1.53 OB(O)C1=C(C=C)C=CC=C1 AK-45480 [0,0,1,1,0,0|1,0,1]=4 406 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,0,1,1,0,0|1,0,1]=4 407 B11R1.266 C1=C(C=CC=C1C(O)=O)C=O AK-45897 [0,0,1,1,0,0|1,0,0]=3 408 B11R1.266 C=CC1=CC(B(O)O)=CC=C1 AK101141 [0,0,1,1,0,0|1,0,1]=4 409 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,0,1,1,0,0|1,0,1]=4 410 B11R1.266 O=C(N)C1=CC=CC(C=O)=C1 AK-65110 [0,0,1,1,0,0|2,0,0]=4 411 B11R1.266 O=C(O)C1=CC=CC(C#N)=C1 AK-68392 [0,0,1,1,0,0|1,0,1]=4 412 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,0,1,1,0,0|1,0,1]=4 413 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,0,1,1,0,0|1,0,1]=4 414 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,0,1,1,0,0|1,0,1]=4 415 B11R1.266 O=C(O)C1=CC=NC(C=O)=C1 AK-77221 [0,0,1,1,0,0|2,0,0]=4 416 B11R1.266 O=C(O)C1=NC(C=O)=CC=C1 AK145136 [0,0,1,1,0,0|2,0,0]=4 417 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,0,1,1,0,0|1,0,1]=4 418 B11R1.167 C1=C(Br)C=CC(=C1C(O)=O)Br AK-26176 [0,0,1,1,0,0|2,0,0]=4 419 B11R1.167 C1=C(C(=CC=C1Br)C)C(O)=O AK-26338 [0,0,1,1,0,0|1,0,1]=4 420 B11R1.167 C1=C(C(=CC=C1C)Br)C(O)=O AK-30136 [0,0,1,1,0,0|1,0,1]=4 421 B11R1.167 C1=C(C(=CC=C1C)F)C(O)=O AK-34671 [0,0,1,1,0,0|1,0,1]=4 422 B11R1.167 C1=C(C(=CC=C1Cl)Br)C(O)=O AK-28994 [0,0,1,1,0,0|2,0,0]=4 423 B11R1.167 C1=C(C(=CC=C1Cl)C)C(O)=O AK-32605 [0,0,1,1,0,0|1,0,1]=4 424 B11R1.167 C1=C(C(=CC=C1F)N)C(O)=O AK-35193 [0,0,1,1,0,0|2,0,0]=4 425 B11R1.167 C1=C(C(=CC=C1O)C)C(=O)O AK-40532 [0,0,1,1,0,0|1,0,1]=4 426 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)C AK-48911 [0,0,1,1,0,0|0,0,2]=4 427 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)N AK-34555 [0,0,1,1,0,0|1,0,1]=4 428 B11R1.167 C1=C(Cl)C=CC(=C1C(O)=O)Cl AK-47665 [0,0,1,1,0,0|2,0,0]=4 429 B11R1.167 C1=C(Cl)C=CC(=C1C(O)=O)N AK-26989 [0,0,1,1,0,0|2,0,0]=4 430 B11R1.167 C1=C(I)C=CC(=C1C(O)=O)N AK-35517 [0,0,1,1,0,0|2,0,0]=4 431 B11R1.167 C1=C(N)C=CC(=C1C(O)=O)Cl AK-36786 [0,0,1,1,0,0|2,0,0]=4 432 B11R1.167 C1=C(N)C=CC(=C1C(O)=O)O AK-72925 [0,0,1,1,0,0|2,0,0]=4 433 B11R1.167 FC1=CC(=C(C=C1)I)C(=O)O AK-26068 [0,0,1,1,0,0|2,0,0]=4 434 B11R1.167 IC1=CC(=C(C=C1)C)C(=O)O AK-23836 [0,0,1,1,0,0|1,0,1]=4 435 B11R1.167 NC1=CC(=C(C=C1)Br)C(=O)O AK-34512 [0,0,1,1,0,0|2,0,0]=4 436 B11R1.167 NC1=CC(=C(C=C1)C)C(=O)O AK-24895 [0,0,1,1,0,0|1,0,1]=4 437 B11R1.167 NC1=CC=C(O)C=C1C(O)=O AK-45120 [0,0,1,1,0,0|2,0,0]=4 438 B11R1.167 O=C(O)C1=CC(Br)=CC=C1Cl AK-28993 [0,0,1,1,0,0|2,0,0]=4 439 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F AK-33317 [0,0,1,1,0,0|2,0,0]=4 440 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I AK-25605 [0,0,1,1,0,0|2,0,0]=4 441 B11R1.167 O=C(O)C1=CC(Br)=CC=C1N AK-25578 [0,0,1,1,0,0|2,0,0]=4 442 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O AK-44136 [0,0,1,1,0,0|2,0,0]=4 443 B11R1.167 O=C(O)C1=CC(Br)=CC=C1S AK116283 [0,0,1,1,0,0|2,0,0]=4 444 B11R1.167 O=C(O)C1=CC(C)=CC=C1Cl AK-35943 [0,0,1,1,0,0|1,0,1]=4 445 B11R1.167 O=C(O)C1=CC(C)=CC=C1I AK-35485 [0,0,1,1,0,0|1,0,1]=4 446 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F AK-30325 [0,0,1,1,0,0|2,0,0]=4 447 B11R1.167 O=C(O)C1=CC(F)=CC=C1Br AK-35001 [0,0,1,1,0,0|2,0,0]=4 448 B11R1.167 O=C(O)C1=CC(F)=CC=C1C AK-34724 [0,0,1,1,0,0|1,0,1]=4 449 B11R1.167 O=C(O)C1=CC(F)=CC=C1F AK-29107 [0,0,1,1,0,0|2,0,0]=4 450 B11R1.167 O=C(O)C1=CC(F)=CC=C1O AK-49710 [0,0,1,1,0,0|2,0,0]=4 451 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br AK-40149 [0,0,1,1,0,0|2,0,0]=4 452 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl AK-33887 [0,0,1,1,0,0|2,0,0]=4 453 B11R1.167 O=C(O)C1=CC(I)=CC=C1F AK-28758 [0,0,1,1,0,0|2,0,0]=4 454 B11R1.167 O=C(O)C1=CC(N)=CC=C1F AK-35670 [0,0,1,1,0,0|2,0,0]=4 455 B11R1.167 O=C(O)C1=CC(O)=CC=C1Br AK-77223 [0,0,1,1,0,0|2,0,0]=4 456 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl AK-35680 [0,0,1,1,0,0|2,0,0]=4 457 B11R1.167 O=C(O)C1=CC(O)=CC=C1F AK-35417 [0,0,1,1,0,0|2,0,0]=4 458 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 AK-49825 [0,0,1,1,0,0|2,0,0]=4 459 B11R1.167 OC1=CC=C(C)C=C1C(O)=O AK-48577 [0,0,1,1,0,0|1,0,1]=4 460 B11R2.1 BrC1=COC2=C1C=CC=C2 AK-90311 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [1,0,0,1,0,0|2,0,0]=4 462 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|0,0,2]=4 464 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [1,0,0,1,0,0|1,0,1]=4 465 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,1,0,0|1,0,1]=4 466 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [1,0,0,1,0,0|2,0,0]=4 467 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [1,0,0,1,0,0|1,0,1]=4 469 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,1,0,0|1,0,1]=4 470 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,1,0,0|1,0,1]=4 471 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [1,0,0,1,0,0|2,0,0]=4 472 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [1,0,0,1,0,0|2,0,0]=4 473 B11R2.20 C12=CC=NC=C1N=CC=C2 AK-65141 [1,0,0,1,0,0|2,0,0]=4 474 B11R2.20 C12=CN=CC=C1N=CC=C2 AK-47050 [1,0,0,1,0,0|2,0,0]=4 475 B11R2.20 C12=NC=CC=C1N=CC=C2 AK-39624 [1,0,0,1,0,0|2,0,0]=4 476 B11R2.20 C1=C2C(=NC=C1)N=CC=C2 AK-34374 [1,0,0,1,0,0|2,0,0]=4 477 B11R2.20 C1=C2C(=NC=N1)C=CC=C2 AK-46565 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.20 C1=CC=C2N=NC=CC2=C1 AK-64450 [1,0,0,1,0,0|2,0,0]=4 479 B11R2.20 C1=CC=CC2=NC=CN=C12 AK-51744 [1,0,0,1,0,0|2,0,0]=4 480 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 AK-35557 [0,0,0,1,1,0|1,1,0]=4 481 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [0,0,0,1,1,0|2,0,0]=4 482 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [0,0,0,1,1,0|2,0,0]=4 483 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [0,0,0,1,1,0|2,0,0]=4 484 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [0,0,0,1,1,0|1,1,0]=4 485 B11R2.10 C1=CC=NC2=C1OC(N2)=O AK-28047 [0,0,0,1,1,0|2,0,0]=4 486 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [0,0,0,1,1,0|1,1,0]=4 487 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,1,0|2,0,0]=4 488 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [0,0,0,1,1,0|2,0,0]=4 489 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [0,0,0,1,1,0|2,0,0]=4 490 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [0,0,0,1,1,0|2,0,0]=4 491 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [0,0,0,1,1,0|1,1,0]=4 492 B11R2.10 NC1=NC2=CC=CC=C2O1 AK-35247 [0,0,0,1,1,0|2,0,0]=4 493 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [0,0,0,1,1,0|1,0,1]=4 494 B11R2.10 O=C1NN2C=CC=CC2=C1 AK-89755 [0,0,0,1,1,0|2,0,0]=4 495 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,0,0,1,1,0|0,0,1]=3 496 B11R2.10 OC1=CC2=C(N1)N=CC=C2 AK103904 [0,0,0,1,1,0|2,0,0]=4 497 B11R2.10 OC1=CN2C=CC=CC2=N1 AK-88442 [0,0,0,1,1,0|2,0,0]=4 498 B11R2.10 OC1=NC2=CC=CC=C2O1 AK-35787 [0,0,0,1,1,0|1,0,1]=4 499 B11R2.10 SC1=NC2=CC=CC=C2O1 AK161762 [0,0,0,1,1,0|1,1,0]=4 500 B11R2.36 C1=CC2=C([NH]1)C=CC(=C2)O AK-39838 [0,0,0,1,1,0|2,0,0]=4 501 B11R2.36 O=C1C=CC=2NC=CC2N1 AK-60577 [0,0,0,1,1,0|2,0,0]=4 502 B11R2.36 [NH]1C2=NC(=CC=C2C=C1)O AK-26805 [0,0,0,1,1,0|2,0,0]=4 503 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 AK140036 [0,0,0,1,0,1|1,1,0]=4 504 B13R2.10 BrC1=CN=C(O1)C2=CC=CC=C2 AK-40252 [0,0,0,1,0,1|1,0,0]=3 505 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 AK123482 [0,0,0,1,0,1|2,0,0]=4 506 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 AK149271 [0,0,0,1,0,1|2,0,0]=4 507 B13R2.10 BrC1=NC=C(O1)C2=CC=CC=C2 AK-33084 [0,0,0,1,0,1|1,0,0]=3 508 B13R2.10 BrC1=NN=C(O1)C2=CC=CC=C2 AK-24511 [0,0,0,1,0,1|2,0,0]=4 509 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AK163292 [0,0,0,1,0,1|2,0,0]=4 510 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 AK-33190 [0,0,0,1,0,1|2,0,0]=4 511 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 AK139802 [0,0,0,1,0,1|2,0,0]=4 512 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)O1 AK-78036 [0,0,0,1,0,1|1,0,0]=3 513 B13R2.10 ClC1=NN=C(C2=CC=CC=C2)O1 AK138790 [0,0,0,1,0,1|2,0,0]=4 514 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 AK200048 [0,0,0,1,0,1|1,1,0]=4 515 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 AK477790 [0,0,0,1,0,1|2,0,0]=4 516 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 AK-64962 [0,0,0,1,0,1|2,0,0]=4 517 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 AK-41436 [0,0,0,1,0,1|1,1,0]=4 518 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 AK126060 [0,0,0,1,0,1|2,0,0]=4 519 B13R2.10 NC1=NN=C(C2=CC=CC=C2)O1 AK-28609 [0,0,0,1,0,1|2,0,0]=4 520 B13R2.10 O=C1NN(C2=CC=CC=C2)C=C1 AK543254 [0,0,0,1,0,1|1,0,0]=3 521 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 AK-67990 [0,0,0,1,0,1|2,0,0]=4 522 B13R2.10 S=C1NN=C(O1)C2=CC=CC=C2 AK111076 [0,0,0,1,0,1|1,1,0]=4 523 B13R2.72 C1=CC=CC2=C1C(=C[NH]2)C(C)=O AK-47338 [0,0,0,1,0,1|1,0,0]=3 524 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 AK103933 [0,0,0,1,0,1|2,0,0]=4 525 B13R2.72 CC(=O)C1=CNC2=C1C=CN=C2 AK-80921 [0,0,0,1,0,1|2,0,0]=4 526 B13R2.72 CC(C1=CNC2=C1C=NC=C2)=O AK141015 [0,0,0,1,0,1|2,0,0]=4 527 B13R2.72 O1C2=C(C(=N1)C(=O)O)C=CC=C2 AK-31280 [0,0,0,1,0,1|1,0,0]=3 528 B13R2.72 O=C(C1=C2C=CC=CN2N=C1)O AK-27754 [0,0,0,1,0,1|1,0,0]=3 529 B13R2.72 O=C(C1=CN=C2C=CC=CN21)O AK-30256 [0,0,0,1,0,1|1,0,0]=3 530 B13R2.72 O=C(C1=CN=C2N=CC=CN21)O AK128275 [0,0,0,1,0,1|2,0,0]=4 531 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)N AK-42150 [0,0,0,1,0,1|1,0,0]=3 532 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)O AK-46089 [0,0,0,1,0,1|0,0,0]=2 533 B13R2.72 O=C(C1=CNC2=C1C=CC=N2)C AK-24555 [0,0,0,1,0,1|2,0,0]=4 534 B13R2.72 O=C(C1=CNC2=C1C=NC=C2)O AK-45852 [0,0,0,1,0,1|1,0,0]=3 535 B13R2.72 O=C(C1=CNC2=CC=CN=C12)O AK-36589 [0,0,0,1,0,1|1,0,0]=3 536 B13R2.72 O=C(C1=CNC2=NC=CC=C21)O AK-46690 [0,0,0,1,0,1|1,0,0]=3 537 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)N AK-46919 [0,0,0,1,0,1|2,0,0]=4 538 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)O AK-27131 [0,0,0,1,0,1|1,0,0]=3 539 B13R2.72 O=C(C1=NNC2=CC=CN=C21)O AK-31594 [0,0,0,1,0,1|2,0,0]=4 540 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O AK-39534 [0,0,0,1,0,1|0,0,2]=4 541 B13R2.72 O=C([C@@H]1NCC2=C1C=CC=C2)O AK550278 [0,0,0,1,0,1|0,0,2]=4 542 B13R2.72 O=C([C@H]1NCC2=C1C=CC=C2)O AK550292 [0,0,0,1,0,1|0,0,2]=4 543 B13R2.72 O=[N+](C1=CNC2=C1C=CC=C2)[O-] AK117845 [0,0,0,1,0,1|1,0,1]=4 544 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 AK-85399 [0,0,0,1,0,1|1,0,1]=4 545 B13R2.72 OB(O)C1=CSC2=C1C=CC=C2 AK-99036 [0,0,0,1,0,1|1,0,1]=4 546 B13R2.72 OC(=O)C1=C2C=CC=CN2C=N1 AK-27298 [0,0,0,1,0,1|1,0,0]=3 547 B13R2.72 OC(=O)C1=C2N=CC=CN2N=C1 AK-32126 [0,0,0,1,0,1|2,0,0]=4 548 B13R2.72 S1C2=C(C(=C1)C(=O)O)C=CC=C2 AK-29353 [0,0,0,1,0,1|0,0,0]=2 549 B13R2.72 [NH]1C2=C(C(=N1)C(=O)O)C=NC=C2 AK-31898 [0,0,0,1,0,1|2,0,0]=4 550 B13R2.72 [NH]1C2=NC=CC=C2C(=N1)C(=O)O AK-28697 [0,0,0,1,0,1|2,0,0]=4 551 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,0,0,1,0,1|0,0,2]=4 552 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,0,0,1,0,1|0,0,2]=4 553 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,0,0,1,0,1|0,0,2]=4 554 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br AK-30563 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.155 BrC1=CC=C2C(=C1)C=C(C=C2)O AK-25309 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.155 C1=C(Cl)C=CC2=C1NC(=O)C=C2 AK-29018 [0,1,0,1,0,0|1,0,0]=3 557 B13R2.155 C1=CC(=CC2=C1C=CC(O2)=O)O AK-26455 [0,1,0,1,0,0|0,0,0]=2 558 B13R2.155 CC1=NC2=C(C=CC(Br)=C2)C=C1 AK111212 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 AK-23874 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.155 ClC1=NC2=C(C=CC(Br)=C2)C=C1 AK-37014 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 AK126950 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)C=C1 AK-50291 [0,1,0,1,0,0|1,0,0]=3 563 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)N=C1 AK-26676 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.155 O=C1NC2=C(C=CC(N)=C2)C=C1 AK-35741 [0,1,0,1,0,0|1,0,0]=3 565 B13R2.155 O=C1NC2=C(C=CC(O)=C2)C=C1 AK-75874 [0,1,0,1,0,0|1,0,0]=3 566 B13R2.155 OC1=CC2=C(C=C1)N=CC(Br)=C2 AK-89992 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 AK-43231 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.155 OC1=CC2=CC(O)=CC=C2C=C1 AK-45590 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.155 OC1=CC=C2C=CC(N)=CC2=C1 AK470324 [0,1,0,1,0,0|1,0,0]=3 570 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 AK138167 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.155 OC1=NC2=CC(=CC=C2C=C1)O AK-26280 [0,1,0,1,0,0|1,0,0]=3 572 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 AK325416 [0,1,0,1,0,0|1,1,0]=4 573 B13R2.3791 NC1=CC=C2C=CS(=O)(=O)C2=C1 AK129175 [0,1,0,1,0,0|1,0,1]=4 574 B13R2.32 CC1=C(N)C2=C(C=CC=C2)C=C1 AK-81542 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.32 CC1=C(O)C2=C(C=CC=C2)C=C1 AK-45771 [0,1,0,1,0,0|1,0,0]=3 576 B13R2.32 O=C1N(C)C=CC2=C1C=CC=C2 AK118859 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.32 OC1=C(Br)C2=C(C=C1)C=CN=C2 AK456342 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 AK-32485 [0,1,0,1,0,0|1,0,0]=3 579 B13R2.32 OC1=C(C)C2=CC=CC=C2N=C1 AK131001 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.32 OC1=C(F)C=CC2=C1N=CC=C2 AK-89047 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.32 OC1=C(I)C=NC2=CC=CC=C12 AK146195 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.32 OC1=C2N=CC=CC2=CC=C1Br AK-57321 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br AK-75886 [0,1,0,1,0,0|1,0,0]=3 584 B13R2.32 OC1=CC=C2C=CC=CC2=C1Cl AK405288 [0,1,0,1,0,0|1,0,0]=3 585 B13R2.32 OC1=CC=C2C=CC=NC2=C1Br AK-39661 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.32 OC1=CC=C2N=CC=CC2=C1F AK162742 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AK-48607 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 AK-35655 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 AK-48123 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.57 C1=C(C=CC2=NC=CC=C12)C=O AK-25085 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.57 C1=C(C=CC2=NC=CC=C12)CO AK-25097 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.57 C1=C(NN)C=CC2=CC=CC=C12 AK-30555 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.57 C1=C2C(=CC=C1)C=C(C=C2)CO AK-48971 [0,1,0,1,0,0|1,0,0]=3 594 B13R2.57 C1=NC(=CC2=C1C=CC=C2)C=O AK-24631 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.57 C1=NC(=CC2=CC=CC=C12)CO AK-24630 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.57 COC1=CC2=C(C=C1)C=CN=C2 AK-35027 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 AK-39658 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 AK110812 [0,1,0,1,0,0|1,0,0]=3 599 B13R2.57 COC1=CC2=C(C=NC=C2)C=C1 AK-35505 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.57 COC1=CC2=CC=CC=C2N=C1 AK-39637 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.57 COC1=CC=C2C=CC=NC2=C1 AK-35323 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.57 COC1=NC2=CC=CC=C2C=C1 AK-94453 [0,1,0,1,0,0|1,0,0]=3 603 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 AK-77406 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.57 NCC1=CC2=C(C=CC=C2)C=C1 AK-33985 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 AK-49046 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 AK-30242 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 AK-25470 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,1,0,1,0,0|1,0,1]=4 609 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [0,1,0,1,0,0|0,0,2]=4 610 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 AK-57803 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.369 BrC1=NC2=CC=CC=C2C=C1Br AK-39851 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.369 CC1=NC2=CC=CC=C2C=C1N AK-30794 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl AK-79092 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N AK-50115 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [0,1,0,1,0,0|1,0,0]=3 616 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br AK-75962 [0,1,0,1,0,0|2,0,0]=4 617 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O AK-45516 [0,1,0,1,0,0|2,0,0]=4 618 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl AK-82046 [0,1,0,1,0,0|2,0,0]=4 619 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,1,0,1,0,0|0,0,0]=2 621 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,1,0,1,0,0|1,0,0]=3 622 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O AK106395 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.435 N1=C2[N](C=C1C(=O)O)C=CN=C2 AK-24658 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 AK-89515 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.435 O1C2=C(N=C1C(C)=O)C=CC=C2 AK-31935 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O AK161700 [0,1,0,1,0,0|1,0,0]=3 627 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [0,1,0,1,0,0|1,0,0]=3 628 B13R2.435 O=C(C1=CN2C=CC=CC2=N1)O AK-30092 [0,1,0,1,0,0|1,0,0]=3 629 B13R2.435 O=C(C1NC2=C(C=CC=C2)C1)O AK-57170 [0,1,0,1,0,0|0,0,2]=4 630 B13R2.435 O=C(C1OC2=CC=CC=C2C1)O AK-30285 [0,1,0,1,0,0|0,0,2]=4 631 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [0,1,0,1,0,0|1,0,0]=3 633 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [0,1,0,1,0,0|1,0,0]=3 634 B13R2.435 OB(C1=CC2=CC=CC=C2S1)O AK-37011 [0,1,0,1,0,0|1,0,1]=4 635 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,1,0,1,0,0|0,0,0]=2 636 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,1,0,1,0,0|0,0,0]=2 637 B13R2.435 S1C2=C(N=C1C(=O)O)C=CC=C2 AK-40963 [0,1,0,1,0,0|1,0,0]=3 638 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [0,1,0,1,0,0|1,0,0]=3 639 B13R2.328 BrC1=NC2=C(C=CC=C2)C(Br)=C1 AK-72566 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.328 BrC1=NC2=CC=CC=C2C(N)=C1 AK-31026 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.328 CC1=CC(Br)=C2C=CC=CC2=C1 AK127805 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 AK143362 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 AK-54599 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.328 CC1=CC(Cl)=NC2=C1C=CC=C2 AK-74209 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 AK-94090 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.328 ClC1=NC2=C(C=CC=C2)C(Cl)=C1 AK-36160 [0,1,0,1,0,0|2,0,0]=4 648 B13R2.328 NC1=CC(C)=NC2=CC=CC=C12 AK-32600 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.328 NC1=CC(Cl)=NC2=C1C=CC=C2 AK-31025 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.328 NC1=CC(NC2=CC=CC=C12)=O AK-26697 [0,1,0,1,0,0|1,0,0]=3 651 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 AK151251 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.328 O=C1CC(C2=C(N1)C=CC=C2)=O AK-42607 [0,1,0,1,0,0|1,0,1]=4 653 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AK-55016 [0,1,0,1,0,0|1,0,0]=3 654 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.328 O=C1NC2=C(C=CC=C2)C(Br)=C1 AK-36929 [0,1,0,1,0,0|1,0,0]=3 656 B13R2.328 O=C1NC2=C(C=CC=N2)C(Cl)=C1 AK149545 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.328 O=C1OC2=C(C=CC=C2)C(O)=C1 AK-49238 [0,1,0,1,0,0|0,0,0]=2 658 B13R2.328 OC1=CC(C)=NC2=CC=CC=C12 AK499556 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.328 OC1=NC(N)=C2C=CC=CC2=N1 AK-24683 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.328 OC1=NC2=CC=CC=C2C(C)=C1 AK-38350 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.5179 BrC1=CC2=CC=CC(Br)=C2C=C1 AK165083 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.5179 C1=CC(=CC2=CC=CC(=C12)O)O AK-47629 [0,1,0,1,0,0|1,0,0]=3 663 B13R2.5179 CC1=NC2=C(C=C1)C(Cl)=CC=C2 AK111211 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.5179 ClC1=C2C=CC(Cl)=NC2=CC=C1 AK123291 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.5179 NC1=C2C=CC(C)=CC2=CC=C1 AK150347 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.5179 NC1=C2C=CC(C)=NC2=CC=C1 AK-81688 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.5179 NC1=NC2=CC=CC(Cl)=C2C=C1 AK156291 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.5179 O=C1NC2=C(C(O)=CC=C2)C=C1 AK-77739 [0,1,0,1,0,0|1,0,0]=3 669 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 AK120908 [0,1,0,1,0,0|2,0,0]=4 670 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 AK341304 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.5179 OC1=CC2=C(C(Cl)=NC=C2)C=C1 AK315073 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.5179 OC1=CC=C2C(C)=CC=NC2=C1 AK149937 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 AK-47960 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.5179 OC1=CC=CC2=C1C=CC(Br)=C2 AK104878 [0,1,0,1,0,0|2,0,0]=4 675 B13R2.162 BrC1=CC=CC2=C1OC(C=C2)=O AK-24668 [0,1,0,1,0,0|0,0,0]=2 676 B13R2.162 BrC1=NC2=C(C=CC=C2Br)C=C1 AK103449 [0,1,0,1,0,0|2,0,0]=4 677 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O AK-28678 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.162 C1=CC2=C(NC(C=C2)=O)C(=C1)O AK-33447 [0,1,0,1,0,0|1,0,0]=3 679 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N AK-28486 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 AK-93928 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 AK-31867 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.162 CC1=NC2=C(C=CC=C2C)C=C1 AK111198 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.162 ClC1=C2N=C(Cl)C=CC2=CC=C1 AK-54989 [0,1,0,1,0,0|2,0,0]=4 684 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 AK-33570 [0,1,0,1,0,0|2,0,0]=4 685 B13R2.162 NC1=C2C=C(C)C=CC2=CC=C1 AK150342 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 AK164599 [0,1,0,1,0,0|2,0,0]=4 687 B13R2.162 O=C1NC2=C(C=CC=C2F)C=C1 AK-94444 [0,1,0,1,0,0|1,0,0]=3 688 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 AK542365 [0,1,0,1,0,0|2,0,0]=4 689 B13R2.162 OC1=C2N=C(Br)C=CC2=CC=C1 AK145826 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 AK112608 [0,1,0,1,0,0|2,0,0]=4 691 B13R2.162 OC1=CC2=C(C=CC=C2F)C=C1 AK-39811 [0,1,0,1,0,0|1,0,0]=3 692 B13R2.162 OC1=CC2=C(C=CN=C2Cl)C=C1 AK105080 [0,1,0,1,0,0|2,0,0]=4 693 B13R2.162 OC1=CC=C2N=CC=C(Cl)C2=C1 AK-37757 [0,1,0,1,0,0|2,0,0]=4 694 B13R2.162 OC1=NC2=C(Cl)C=CC=C2C=C1 AK-32524 [0,1,0,1,0,0|1,0,0]=3 695 B13R2.3683 BrC1=CC2=C(C=C1)C=C(Br)C=C2 AK-33188 [0,1,0,1,0,0|2,0,0]=4 696 B13R2.3683 BrC1=CC=C2N=C(C=NC2=C1)O AK-27835 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.3683 BrC1=CC=C2OC(=O)CCC2=C1 AK-72713 [0,1,0,1,0,0|0,0,2]=4 698 B13R2.3683 C1=C(Br)C=CC2=C1C=CC(O2)=O AK-26888 [0,1,0,1,0,0|0,0,0]=2 699 B13R2.3683 C1=C(C)C=CC2=C1C=CC(O2)=O AK-47577 [0,1,0,1,0,0|0,0,0]=2 700 B13R2.3683 C1=C(C=CC2=C1C=CC(=C2)Br)O AK-46757 [0,1,0,1,0,0|1,0,0]=3 701 B13R2.3683 C1=C2C(=CC=C1Cl)NC(=O)C=N2 AK-23500 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 AK-34594 [0,1,0,1,0,0|2,0,0]=4 703 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 AK-27111 [0,1,0,1,0,0|2,0,0]=4 704 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 AK-26649 [0,1,0,1,0,0|2,0,0]=4 705 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 AK-39625 [0,1,0,1,0,0|2,0,0]=4 706 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 AK-27465 [0,1,0,1,0,0|2,0,0]=4 707 B13R2.3683 FC1=CC=C2N=C(Cl)C=CC2=C1 AK-93820 [0,1,0,1,0,0|2,0,0]=4 708 B13R2.3683 FC1=CC=C2NC(C=NC2=C1)=O AK-24547 [0,1,0,1,0,0|2,0,0]=4 709 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK-36293 [0,1,0,1,0,0|2,0,0]=4 710 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK128775 [0,1,0,1,0,0|2,0,0]=4 711 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 AK128776 [0,1,0,1,0,0|2,0,0]=4 712 B13R2.3683 NC1=NC2=CC=C(F)C=C2C=C1 AK135326 [0,1,0,1,0,0|2,0,0]=4 713 B13R2.3683 O=C1CCC2=C(O1)C=CC(I)=C2 AK544562 [0,1,0,1,0,0|0,0,2]=4 714 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)C=C1 AK-27469 [0,1,0,1,0,0|1,0,0]=3 715 B13R2.3683 O=C1NC2=C(C=C(Cl)C=N2)C=C1 AK-68313 [0,1,0,1,0,0|2,0,0]=4 716 B13R2.3683 O=C1NC2=C(C=C(N)C=C2)N=C1 AK128588 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)C=C1 AK-33910 [0,1,0,1,0,0|1,0,0]=3 718 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 AK-50622 [0,1,0,1,0,0|1,0,0]=3 719 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 AK-89425 [0,1,0,1,0,0|2,0,0]=4 720 B13R2.3683 OC1=NC2=CC=C(I)C=C2C=C1 AK-51648 [0,1,0,1,0,0|1,0,0]=3 721 B13R2.3683 OC1=NC2=NC=C(Br)C=C2C=C1 AK-36230 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [1,0,0,0,1,0|1,0,0]=3 723 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,0,0,0,2,0|2,0,0]=4 724 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,0,0,2,0|2,0,0]=4 725 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,0,0,0,2,0|2,0,0]=4 726 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [0,0,0,0,2,0|1,0,1]=4 727 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [0,0,0,0,2,0|2,0,0]=4 728 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [0,0,0,0,2,0|2,0,0]=4 729 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [0,0,0,0,2,0|2,0,0]=4 730 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [0,0,0,0,2,0|2,0,0]=4 731 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,0,0,0,2,0|1,0,1]=4 732 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [0,0,0,0,2,0|2,0,0]=4 733 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [0,0,0,0,2,0|2,0,0]=4 734 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [0,0,0,0,2,0|2,0,0]=4 735 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [0,0,0,0,2,0|2,0,0]=4 736 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [0,0,0,0,2,0|1,1,0]=4 737 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,0,0,0,2,0|2,0,0]=4 738 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,0,0,0,2,0|1,0,0]=3 739 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,0,0,0,2,0|2,0,0]=4 740 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,0,0,0,2,0|2,0,0]=4 741 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,0,0,0,2,0|1,0,0]=3 742 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,0,0,2,0|1,0,0]=3 743 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [0,0,0,0,2,0|1,0,1]=4 744 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [0,0,0,0,2,0|1,0,0]=3 745 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,0,0,0,2,0|1,0,1]=4 746 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 AK142005 [0,0,0,0,0,2|0,0,0]=2