0 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 AK-57803 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 BrC1=NC2=CC=CC=C2C=C1Br AK-39851 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 CC1=C(Br)C=C2C=CC=NC2=C1 AK101770 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 CC1=NC2=CC=CC=C2C=C1N AK-30794 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.369 ClC1=CC2=C(C=NC=C2)C=C1Br AK341312 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl AK-79092 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl AK-32080 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 FC1=C(Br)C=C2C=CC=NC2=C1 AK-41440 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 NC1=C(C)C=C2C=CC=NC2=C1 AK435742 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N AK-50115 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br AK-75962 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl AK113688 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.369 NC1=NC2=CC=CC=C2N=C1N AK388486 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.369 O=C1NC2=C(C=CC=C2)CC1N AK-27578 [0,0,0,0,0,0|1,0,2]=3 15 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O AK-45516 [0,0,0,0,0,0|1,0,1]=2 16 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl AK-82046 [0,0,0,0,0,0|1,0,1]=2 17 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 AK-23692 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AK-27162 [1,0,0,0,0,0|1,0,1]=3 19 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 AK-87992 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 AK-49506 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.24 BrC1=CC=C2C(=C1)C=NC=C2 AK-26157 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 AK-26028 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 AK-31792 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 AK-78425 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.24 C1=C(Br)C=CC2=C1C=CN=C2 AK-23508 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 C1=C(C=C2C(=C1)N=CC=C2)Cl AK-26786 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 C1=C(F)C=CC2=C1C=CC=N2 AK-30337 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 C1=C(N)C=CC2=C1N=CC=C2 AK-23984 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 C1=C(N)N=CC2=CC=CC=C12 AK-27774 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 C1=C(O)C=CC2=NC=CC=C12 AK-26149 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.24 C1=C2C(=CC=C1Br)C=CC=C2 AK-35732 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 C1=C2C(=NC=C1Cl)C=CC=C2 AK-39638 [1,0,0,0,0,0|1,0,1]=3 33 B12R2.24 C1=C2C(=NC=C1O)C=CC=C2 AK-26151 [1,0,0,0,0,0|0,0,1]=2 34 B12R2.24 C1=CC(=CC2=C1C=CC=N2)Cl AK-39660 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 C1=CC2=C(N=C1N)C=CC=C2 AK-26798 [1,0,0,0,0,0|1,0,1]=3 36 B12R2.24 C1=CC=C2C(=N1)C=CC(=C2)Br AK-26082 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [1,0,0,0,0,0|0,0,2]=3 38 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [1,0,0,0,0,0|1,0,1]=3 39 B12R2.24 C1=CC=CC2=CC=C(N=C12)Br AK-24234 [1,0,0,0,0,0|1,0,1]=3 40 B12R2.24 C1=CC=CC2=CC=C(N=C12)Cl AK-27768 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 C1=NC(=NC2=C1C=CC=C2)Cl AK-27695 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 C1=NC=CC2=CC=C(C=C12)N AK-25639 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [1,0,0,0,0,0|1,0,1]=3 44 B12R2.24 CC1=NC2=NC=CC=C2C=C1 AK-44284 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 ClC1=CC2=C(C=C1)C=CN=C2 AK-39352 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 ClC1=CC2=C(C=NC=C2)C=C1 AK-35918 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AK-24474 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 ClC1=CC=C2C=CC=NC2=N1 AK-28846 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.24 ClC1=CN=C2N=CC=CC2=C1 AK-48179 [1,0,0,0,0,0|2,0,1]=4 50 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 AK-47004 [1,0,0,0,0,0|2,0,1]=4 51 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 AK-38087 [1,0,0,0,0,0|2,0,1]=4 52 B12R2.24 FC1=CC2=C(C=CN=C2)C=C1 AK-54877 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 FC1=CC2=C(C=NC=C2)C=C1 AK-47714 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 AK110894 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 IC1=CC=C2N=CC=CC2=C1 AK-28766 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 N1=C2C=CC(NC2=NC=C1)=O AK-31206 [1,0,0,0,0,0|2,0,0]=3 57 B12R2.24 NC1=CC=C2C=CC=NC2=C1 AK173105 [1,0,0,0,0,0|3,0,0]=4 58 B12R2.24 NC1=CC=C2C=NC=CC2=C1 AK-27243 [1,0,0,0,0,0|3,0,0]=4 59 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AK-29433 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 NC1=NC2=C(C=CC=C2)N=C1 AK-30450 [1,0,0,0,0,0|2,0,1]=4 61 B12R2.24 NC1=NC2=CC=CC=C2C=N1 AK-24681 [1,0,0,0,0,0|2,0,1]=4 62 B12R2.24 NC1=NC2=CC=CN=C2C=C1 AK-33784 [1,0,0,0,0,0|2,0,1]=4 63 B12R2.24 NC1=NC2=NC=CC=C2C=C1 AK-60468 [1,0,0,0,0,0|2,0,1]=4 64 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [1,0,0,0,0,0|2,0,1]=4 65 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [1,0,0,0,0,0|2,0,1]=4 66 B12R2.24 O=C1COC2=CC=CN=C2N1 AK-81532 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [1,0,0,0,0,0|1,0,1]=3 68 B12R2.24 O=C1NC2=CC=CN=C2C=C1 AK-38086 [1,0,0,0,0,0|1,0,0]=2 69 B12R2.24 O=C1NC2=CN=CC=C2C=C1 AK-40195 [1,0,0,0,0,0|1,0,0]=2 70 B12R2.24 OC1=CC2=C(C=NC=C2)C=C1 AK-24368 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AK-24768 [1,0,0,0,0,0|2,0,0]=3 72 B12R2.24 OC1=CC=C2N=CC=NC2=C1 AK112533 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [1,0,0,0,0,0|0,0,2]=3 74 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AK-28738 [1,0,0,0,0,0|1,0,1]=3 75 B14R2.639 O=C1NC2=C(C=CC=C2)NC1(C)C AK-92381 [0,1,0,0,0,0|2,0,1]=4 76 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl AK-53465 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.1128 N#CC1=NC2=CC=CC=C2C=C1C AK112476 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl AK-40038 [0,1,0,0,0,0|1,0,2]=4 79 B14R2.8188 O=C1C(O)=C(C)NC2=C1C=CC=C2 AK-94309 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.8188 O=C1NC2=C(C=CC=C2)C(O)=C1C AK152649 [0,1,0,0,0,0|1,0,0]=2 81 B14R2.8239 C1=C(Br)C=NC2=C1NC(=O)C(=O)N2 AK-24148 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.8239 O=C1C=CC2=C(O1)C=C(O)C(O)=C2 AK114506 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)NC1=O AK157312 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,0,1,0,0,0|2,0,1]=4 85 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,0,1,0,0,0|1,0,2]=4 86 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,0,1,0,0,0|1,0,2]=4 87 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,0,1,0,0,0|2,0,0]=3 88 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,0,1,0,0,0|1,0,2]=4 89 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,0,1,0,0,0|1,0,2]=4 90 B12R2.18 BrC1=C(Br)SC2=CC=CC=C21 AK101330 [0,0,0,0,1,0|3,0,0]=4 91 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,0,0,0,1,0|3,0,0]=4 92 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 AK-28158 [0,0,0,0,1,0|3,0,0]=4 93 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 AK665664 [0,0,0,0,1,0|3,0,0]=4 94 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,0,0,0,1,0|0,0,2]=3 95 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [0,0,0,0,1,0|0,0,1]=2 96 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AK-24554 [0,0,0,0,1,0|1,0,1]=3 97 B12R2.100 OC1=CC2=C(C=C1O)C=CN2 AK-25753 [0,0,0,0,1,0|2,0,1]=4 98 B12R2.100 OC1=CC2=C(NC=C2)C=C1F AK-45327 [0,0,0,0,1,0|3,0,0]=4 99 B14R2.741 O=C1C(Br)CCC2=CC=CC=C2N1 AK-23679 [0,0,0,0,0,1|1,0,2]=4 100 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [1,0,1,0,0,0|0,0,0]=2 101 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [1,0,1,0,0,0|1,0,1]=4 102 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,0,1,0,0,0|1,0,0]=3 103 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,1,0,0,0|0,0,2]=4 105 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [1,0,1,0,0,0|0,0,0]=2 106 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [1,0,1,0,0,0|1,0,0]=3 107 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [1,0,1,0,0,0|2,0,0]=4 108 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [1,0,1,0,0,0|1,0,0]=3 110 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AK111240 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [1,0,1,0,0,0|1,0,1]=4 112 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [1,0,1,0,0,0|1,0,1]=4 113 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [1,0,1,0,0,0|1,0,1]=4 114 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [1,0,1,0,0,0|1,0,1]=4 115 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.86 NC1=NC=CC=C1CC(O)=O AK-68736 [1,0,1,0,0,0|1,0,1]=4 117 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [1,0,1,0,0,0|1,0,1]=4 118 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [1,0,1,0,0,0|1,0,1]=4 119 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [1,0,1,0,0,0|2,0,0]=4 121 B11R2.20 C12=CC=NC=C1N=CC=C2 AK-65141 [2,0,0,0,0,0|1,0,1]=4 122 B11R2.20 C12=CN=CC=C1N=CC=C2 AK-47050 [2,0,0,0,0,0|1,0,1]=4 123 B11R2.20 C12=NC=CC=C1N=CC=C2 AK-39624 [2,0,0,0,0,0|1,0,1]=4 124 B11R2.20 C1=C2C(=NC=C1)N=CC=C2 AK-34374 [2,0,0,0,0,0|1,0,1]=4 125 B11R2.20 C1=C2C(=NC=N1)C=CC=C2 AK-46565 [2,0,0,0,0,0|1,0,1]=4 126 B11R2.20 C1=CC=C2N=NC=CC2=C1 AK-64450 [2,0,0,0,0,0|1,0,1]=4 127 B11R2.20 C1=CC=CC2=NC=CN=C12 AK-51744 [2,0,0,0,0,0|1,0,1]=4 128 B13R1.133 O=C(O)C(NC1=NC=C(Cl)C=C1)=O AK171307 [0,1,1,0,0,0|2,0,0]=4 129 B13R2.32 CC1=C(N)C2=C(C=CC=C2)C=C1 AK-81542 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.32 CC1=C(O)C2=C(C=CC=C2)C=C1 AK-45771 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.32 ClC1=C(Br)C=NC2=C1C=CC=C2 AK-36273 [1,1,0,0,0,0|1,0,1]=4 132 B13R2.32 IC1=C(Cl)C2=CC=CC=C2N=C1 AK114474 [1,1,0,0,0,0|1,0,1]=4 133 B13R2.32 NC1=C(C=NC2=CC=CC=C12)Br AK-23731 [1,1,0,0,0,0|1,0,1]=4 134 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 AK156251 [1,1,0,0,0,0|1,0,1]=4 135 B13R2.32 OC1=C(Br)C2=C(C=C1)C=CN=C2 AK456342 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 AK-32485 [1,1,0,0,0,0|2,0,0]=4 137 B13R2.32 OC1=C(C)C2=CC=CC=C2N=C1 AK131001 [1,1,0,0,0,0|0,0,1]=3 138 B13R2.32 OC1=C(I)C=NC2=CC=CC=C12 AK146195 [1,1,0,0,0,0|1,0,1]=4 139 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br AK-75886 [1,1,0,0,0,0|1,0,0]=3 140 B13R2.32 OC1=CC=C2C=CC=CC2=C1Cl AK405288 [1,1,0,0,0,0|1,0,0]=3 141 B13R2.32 OC1=CC=C2C=CC=NC2=C1Br AK-39661 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.32 OC1=CC=C2N=CC=CC2=C1F AK162742 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AK-48607 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 AK-35655 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 AK-48123 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.57 C1=C(C=CC2=NC=CC=C12)C=O AK-25085 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.57 C1=C(C=CC2=NC=CC=C12)CO AK-25097 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.57 C1=C(NN)C=CC2=CC=CC=C12 AK-30555 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.57 C1=C2C(=CC=C1)C=C(C=C2)CO AK-48971 [1,1,0,0,0,0|1,0,0]=3 150 B13R2.57 C1=NC(=CC2=C1C=CC=C2)C=O AK-24631 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.57 C1=NC(=CC2=CC=CC=C12)CO AK-24630 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.57 COC1=CC2=C(C=C1)C=CN=C2 AK-35027 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 AK-39658 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 AK110812 [1,1,0,0,0,0|1,0,0]=3 155 B13R2.57 COC1=CC2=C(C=NC=C2)C=C1 AK-35505 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.57 COC1=CC2=CC=CC=C2N=C1 AK-39637 [1,1,0,0,0,0|0,0,1]=3 157 B13R2.57 COC1=CC=C2C=CC=NC2=C1 AK-35323 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.57 COC1=NC2=CC=CC=C2C=C1 AK-94453 [1,1,0,0,0,0|0,0,2]=4 159 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 AK-77406 [1,1,0,0,0,0|1,0,1]=4 160 B13R2.57 NCC1=CC2=C(C=CC=C2)C=C1 AK-33985 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 AK-49046 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.57 NNC1=CC2=C(C=CC=C2)N=C1 AK-82067 [1,1,0,0,0,0|1,0,1]=4 163 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 AK-30242 [1,1,0,0,0,0|0,0,2]=4 164 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 AK-25470 [1,1,0,0,0,0|1,0,1]=4 165 B13R2.57 OCC1=CC2=NC=CC=C2N=C1 AK470825 [1,1,0,0,0,0|1,0,1]=4 166 B13R2.155 BrC1=CC2=C(C=C1)OCC(N2)=O AK-26843 [1,1,0,0,0,0|1,0,1]=4 167 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br AK-30563 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.155 BrC1=CC=C2C(=C1)C=C(C=C2)O AK-25309 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.155 C1=C(Cl)C=CC2=C1NC(=O)C=C2 AK-29018 [1,1,0,0,0,0|0,0,0]=2 170 B13R2.155 C1=CC(=CC2=C1C=CC(O2)=O)O AK-26455 [1,1,0,0,0,0|1,0,0]=3 171 B13R2.155 CC1=NC2=C(C=CC(Br)=C2)C=C1 AK111212 [1,1,0,0,0,0|1,0,1]=4 172 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 AK-23874 [1,1,0,0,0,0|1,0,1]=4 173 B13R2.155 ClC1=CC=C2C(=C1)NC(CC2)=O AK-73121 [1,1,0,0,0,0|0,0,2]=4 174 B13R2.155 ClC1=NC2=C(C=CC(Br)=C2)C=C1 AK-37014 [1,1,0,0,0,0|1,0,1]=4 175 B13R2.155 IC1=CC=C2N=CC(Br)=CC2=C1 AK127010 [1,1,0,0,0,0|1,0,1]=4 176 B13R2.155 NC1=CC2=C(OCC(=O)N2)C=C1 AK-30183 [1,1,0,0,0,0|1,0,1]=4 177 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 AK-47672 [1,1,0,0,0,0|0,0,2]=4 178 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 AK105869 [1,1,0,0,0,0|1,0,1]=4 179 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 AK126950 [1,1,0,0,0,0|1,0,1]=4 180 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)C=C1 AK-50291 [1,1,0,0,0,0|0,0,0]=2 181 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)CC1 AK-76136 [1,1,0,0,0,0|0,0,2]=4 182 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)CN1 AK-50472 [1,1,0,0,0,0|1,0,1]=4 183 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)N=C1 AK-26676 [1,1,0,0,0,0|1,0,0]=3 184 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)NC1 AK141930 [1,1,0,0,0,0|1,0,1]=4 185 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CC1 AK-76139 [1,1,0,0,0,0|0,0,2]=4 186 B13R2.155 O=C1NC2=C(C=CC(N)=C2)C=C1 AK-35741 [1,1,0,0,0,0|0,0,0]=2 187 B13R2.155 O=C1NC2=C(C=CC(O)=C2)C=C1 AK-75874 [1,1,0,0,0,0|0,0,0]=2 188 B13R2.155 OC1=CC2=C(C=C1)N=CC(Br)=C2 AK-89992 [1,1,0,0,0,0|1,0,1]=4 189 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 AK-43231 [1,1,0,0,0,0|0,0,1]=3 190 B13R2.155 OC1=CC2=CC(O)=CC=C2C=C1 AK-45590 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.155 OC1=CC=C2C(=C1)NC(CC2)=O AK-51661 [1,1,0,0,0,0|0,0,2]=4 192 B13R2.155 OC1=CC=C2C=CC(N)=CC2=C1 AK470324 [1,1,0,0,0,0|1,0,0]=3 193 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 AK138167 [1,1,0,0,0,0|1,0,1]=4 194 B13R2.155 OC1=NC2=CC(=CC=C2C=C1)O AK-26280 [1,1,0,0,0,0|0,0,2]=4 195 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 AK325416 [1,1,0,0,0,0|1,1,0]=4 196 B13R2.162 BrC1=CC=CC2=C1OC(C=C2)=O AK-24668 [1,1,0,0,0,0|1,0,0]=3 197 B13R2.162 BrC1=NC2=C(C=CC=C2Br)C=C1 AK103449 [1,1,0,0,0,0|1,0,1]=4 198 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O AK-28678 [1,1,0,0,0,0|1,0,1]=4 199 B13R2.162 C1=CC2=C(NC(C=C2)=O)C(=C1)O AK-33447 [1,1,0,0,0,0|0,0,0]=2 200 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N AK-28486 [1,1,0,0,0,0|1,0,1]=4 201 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 AK-93928 [1,1,0,0,0,0|1,0,1]=4 202 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 AK-31867 [1,1,0,0,0,0|1,0,1]=4 203 B13R2.162 CC1=NC2=C(C=CC=C2C)C=C1 AK111198 [1,1,0,0,0,0|1,0,1]=4 204 B13R2.162 ClC1=C2N=C(Cl)C=CC2=CC=C1 AK-54989 [1,1,0,0,0,0|1,0,1]=4 205 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 AK-33570 [1,1,0,0,0,0|1,0,1]=4 206 B13R2.162 NC1=C2C=C(C)C=CC2=CC=C1 AK150342 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 AK164599 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.162 O=C1NC2=C(C=CC=C2Cl)CC1 AK312263 [1,1,0,0,0,0|0,0,2]=4 209 B13R2.162 O=C1NC2=C(C=CC=C2F)C=C1 AK-94444 [1,1,0,0,0,0|0,0,0]=2 210 B13R2.162 OC1=C2C=C(Br)C=NC2=CC=C1 AK-65356 [1,1,0,0,0,0|1,0,1]=4 211 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 AK542365 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.162 OC1=C2C=C(F)C=NC2=CC=C1 AK164644 [1,1,0,0,0,0|1,0,1]=4 213 B13R2.162 OC1=C2N=C(Br)C=CC2=CC=C1 AK145826 [1,1,0,0,0,0|1,0,1]=4 214 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 AK112608 [1,1,0,0,0,0|1,0,1]=4 215 B13R2.162 OC1=CC2=C(C=CC=C2F)C=C1 AK-39811 [1,1,0,0,0,0|1,0,0]=3 216 B13R2.162 OC1=CC2=C(C=CN=C2Cl)C=C1 AK105080 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.162 OC1=CC=C2N=CC=C(Cl)C2=C1 AK-37757 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.162 OC1=CC=CC2=C1NC(CO2)=O AK-24440 [1,1,0,0,0,0|1,0,1]=4 219 B13R2.162 OC1=NC2=C(Cl)C=CC=C2C=C1 AK-32524 [1,1,0,0,0,0|0,0,2]=4 220 B13R2.328 BrC1=NC2=C(C=CC=C2)C(Br)=C1 AK-72566 [1,1,0,0,0,0|1,0,1]=4 221 B13R2.328 BrC1=NC2=CC=CC=C2C(N)=C1 AK-31026 [1,1,0,0,0,0|1,0,1]=4 222 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.328 C1=CN=CC2=C1C(=O)NC(=O)N2 AK-27620 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.328 CC1=CC(Br)=C2C=CC=CC2=C1 AK127805 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 AK143362 [1,1,0,0,0,0|1,0,1]=4 226 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 AK-54599 [1,1,0,0,0,0|1,0,1]=4 227 B13R2.328 CC1=CC(Cl)=NC2=C1C=CC=C2 AK-74209 [1,1,0,0,0,0|1,0,1]=4 228 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 AK-94090 [1,1,0,0,0,0|1,0,1]=4 229 B13R2.328 ClC1=NC2=C(C=CC=C2)C(Cl)=C1 AK-36160 [1,1,0,0,0,0|1,0,1]=4 230 B13R2.328 NC1=CC(C)=NC2=CC=CC=C12 AK-32600 [1,1,0,0,0,0|1,0,1]=4 231 B13R2.328 NC1=CC(Cl)=NC2=C1C=CC=C2 AK-31025 [1,1,0,0,0,0|1,0,1]=4 232 B13R2.328 NC1=CC(NC2=CC=CC=C12)=O AK-26697 [1,1,0,0,0,0|0,0,0]=2 233 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 AK151251 [1,1,0,0,0,0|1,0,1]=4 234 B13R2.328 O=C1CC(C2=C(N1)C=CC=C2)=O AK-42607 [1,1,0,0,0,0|0,0,1]=3 235 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AK-55016 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [1,1,0,0,0,0|1,0,0]=3 237 B13R2.328 O=C1NC2=C(C=CC=C2)C(Br)=C1 AK-36929 [1,1,0,0,0,0|0,0,0]=2 238 B13R2.328 O=C1NC2=C(C=CC=C2)N(C)C1 AK-38608 [1,1,0,0,0,0|1,0,1]=4 239 B13R2.328 O=C1NC2=C(C=CC=N2)C(Cl)=C1 AK149545 [1,1,0,0,0,0|1,0,0]=3 240 B13R2.328 O=C1OC2=C(C=CC=C2)C(O)=C1 AK-49238 [1,1,0,0,0,0|1,0,0]=3 241 B13R2.328 OC1=CC(C)=NC2=CC=CC=C12 AK499556 [1,1,0,0,0,0|1,0,1]=4 242 B13R2.328 OC1=NC2=CC=CC=C2C(C)=C1 AK-38350 [1,1,0,0,0,0|0,0,2]=4 243 B13R2.3683 BrC1=CC2=C(C=C1)C=C(Br)C=C2 AK-33188 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.3683 BrC1=CC=C2N=C(C=NC2=C1)O AK-27835 [1,1,0,0,0,0|1,0,1]=4 245 B13R2.3683 BrC1=CC=C2NC(CCC2=C1)=O AK-27042 [1,1,0,0,0,0|0,0,2]=4 246 B13R2.3683 C1=C(Br)C=CC2=C1C=CC(O2)=O AK-26888 [1,1,0,0,0,0|1,0,0]=3 247 B13R2.3683 C1=C(C)C=CC2=C1C=CC(O2)=O AK-47577 [1,1,0,0,0,0|1,0,0]=3 248 B13R2.3683 C1=C(C=CC2=C1C=CC(=C2)Br)O AK-46757 [1,1,0,0,0,0|1,0,0]=3 249 B13R2.3683 C1=C2C(=CC=C1Cl)NC(=O)C=N2 AK-23500 [1,1,0,0,0,0|1,0,0]=3 250 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 AK-34594 [1,1,0,0,0,0|1,0,1]=4 251 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 AK-27111 [1,1,0,0,0,0|1,0,1]=4 252 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 AK-26649 [1,1,0,0,0,0|1,0,1]=4 253 B13R2.3683 ClC1=CC2=C(C=C(Br)C=C2)N=C1 AK102533 [1,1,0,0,0,0|1,0,1]=4 254 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 AK-39625 [1,1,0,0,0,0|1,0,1]=4 255 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 AK-27465 [1,1,0,0,0,0|1,0,1]=4 256 B13R2.3683 FC1=CC=C2N=C(Cl)C=CC2=C1 AK-93820 [1,1,0,0,0,0|1,0,1]=4 257 B13R2.3683 FC1=CC=C2NC(C=NC2=C1)=O AK-24547 [1,1,0,0,0,0|1,0,0]=3 258 B13R2.3683 NC1=CC2=C(C=C(Cl)C=C2)N=C1 AK-49305 [1,1,0,0,0,0|1,0,1]=4 259 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 AK122789 [1,1,0,0,0,0|1,0,1]=4 260 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK-36293 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK128775 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 AK128776 [1,1,0,0,0,0|2,0,0]=4 263 B13R2.3683 NC1=NC2=CC=C(F)C=C2C=C1 AK135326 [1,1,0,0,0,0|1,0,1]=4 264 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)C=C1 AK-27469 [1,1,0,0,0,0|0,0,0]=2 265 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CN1 AK-42603 [1,1,0,0,0,0|1,0,1]=4 266 B13R2.3683 O=C1NC2=C(C=C(Cl)C=N2)C=C1 AK-68313 [1,1,0,0,0,0|1,0,0]=3 267 B13R2.3683 O=C1NC2=C(C=C(N)C=C2)CC1 AK-92956 [1,1,0,0,0,0|0,0,2]=4 268 B13R2.3683 O=C1NC2=C(C=C(N)C=C2)N=C1 AK128588 [1,1,0,0,0,0|1,0,0]=3 269 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)C=C1 AK-33910 [1,1,0,0,0,0|0,0,0]=2 270 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)CC1 AK-75703 [1,1,0,0,0,0|0,0,2]=4 271 B13R2.3683 O=C1NC2=CC=C(Br)C=C2OC1 AK-31795 [1,1,0,0,0,0|1,0,1]=4 272 B13R2.3683 O=C1NC2=CC=C(Cl)C=C2OC1 AK-29067 [1,1,0,0,0,0|1,0,1]=4 273 B13R2.3683 O=C1NC2=CC=C(F)C=C2OC1 AK-30233 [1,1,0,0,0,0|1,0,1]=4 274 B13R2.3683 O=C1NC2=CC=C(I)C=C2OC1 AK-77082 [1,1,0,0,0,0|1,0,1]=4 275 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 AK-50622 [1,1,0,0,0,0|1,0,0]=3 276 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 AK-89425 [1,1,0,0,0,0|1,0,1]=4 277 B13R2.3683 OC1=NC2=CC=C(I)C=C2C=C1 AK-51648 [1,1,0,0,0,0|0,0,2]=4 278 B13R2.5179 BrC1=CC2=CC=CC(Br)=C2C=C1 AK165083 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.5179 C1=CC(=CC2=CC=CC(=C12)O)O AK-47629 [1,1,0,0,0,0|1,0,0]=3 280 B13R2.5179 CC1=NC2=C(C=C1)C(Cl)=CC=C2 AK111211 [1,1,0,0,0,0|1,0,1]=4 281 B13R2.5179 ClC1=C2C=CC(Cl)=NC2=CC=C1 AK123291 [1,1,0,0,0,0|1,0,1]=4 282 B13R2.5179 FC1=CC2=CC=CC(Br)=C2N=C1 AK164694 [1,1,0,0,0,0|1,0,1]=4 283 B13R2.5179 IC1=CC2=CC=CC(Cl)=C2N=C1 AK471124 [1,1,0,0,0,0|1,0,1]=4 284 B13R2.5179 NC1=C2C=CC(C)=CC2=CC=C1 AK150347 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.5179 NC1=C2C=CC(C)=NC2=CC=C1 AK-81688 [1,1,0,0,0,0|1,0,1]=4 286 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 AK103131 [1,1,0,0,0,0|1,0,1]=4 287 B13R2.5179 NC1=NC2=CC=CC(Cl)=C2C=C1 AK156291 [1,1,0,0,0,0|1,0,1]=4 288 B13R2.5179 O=C1NC2=C(C(Br)=CC=C2)CC1 AK-92900 [1,1,0,0,0,0|0,0,2]=4 289 B13R2.5179 O=C1NC2=C(C(O)=CC=C2)C=C1 AK-77739 [1,1,0,0,0,0|0,0,0]=2 290 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 AK120908 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 AK341304 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.5179 OC1=CC2=C(C(Cl)=NC=C2)C=C1 AK315073 [1,1,0,0,0,0|2,0,0]=4 293 B13R2.5179 OC1=CC=C2C(C)=CC=NC2=C1 AK149937 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 AK-47960 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.5179 OC1=CC=CC2=C1C=CC(Br)=C2 AK104878 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.5179 OC1=CC=CC2=C1CCC(=O)N2 AK-72483 [1,1,0,0,0,0|0,0,2]=4 297 B13R2.45 CC1=C(NC2=C1C=CC=C2)C#N AK-49345 [0,1,0,0,1,0|2,0,0]=4 298 B13R2.135 C1=CC=CC2=C1C(=C(C)[NH]2)C=O AK-16445 [0,1,0,0,1,0|1,0,1]=4 299 B13R2.135 N#CC1=C(C)NC2=C1C=CC=C2 AK-46068 [0,1,0,0,1,0|2,0,0]=4 300 B13R2.135 O=C1N(CC)C2=CC=CC=C2N1 AK-92954 [0,1,0,0,1,0|2,0,0]=4 301 B13R2.135 O=CC1=C(Br)SC2=CC=CC=C21 AK150700 [0,1,0,0,1,0|2,0,0]=4 302 B13R2.135 O=CC1C(NC2=C1C=CC=C2)=O AK-90168 [0,1,0,0,1,0|0,0,2]=4 303 B13R2.359 C1=CC=CC2=C1C(C(=O)N2)(C)C AK-39322 [0,1,0,0,1,0|1,0,1]=4 304 B13R2.3028 BrC1=CC2=C(NC(=O)C2=O)N=C1 AK-31151 [0,1,0,0,1,0|1,0,1]=4 305 B13R2.3028 C1=C(Cl)C=CC2=C1C(C(=O)N2)=O AK-28898 [0,1,0,0,1,0|0,0,1]=3 306 B13R2.3028 C1=C(F)C=CC2=C1C(C(=O)N2)=O AK-29255 [0,1,0,0,1,0|0,0,1]=3 307 B13R2.3028 CC1=C(C)C2=CC(F)=CC=C2N1 AK-78906 [0,1,0,0,1,0|2,0,0]=4 308 B13R2.3028 CC1=C(C)NC2=C1C=C(Br)C=C2 AK-49810 [0,1,0,0,1,0|2,0,0]=4 309 B13R2.3028 CC1=C(C)NC2=C1C=C(Cl)C=C2 AK-50295 [0,1,0,0,1,0|2,0,0]=4 310 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O AK-45956 [0,1,0,0,1,0|0,0,1]=3 311 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O AK-81927 [0,1,0,0,1,0|2,0,0]=4 312 B13R2.3085 O=C1C(=O)C2=C(C=CC=C2)C1=O AK-76989 [0,1,0,0,1,0|0,0,1]=3 313 B13R2.3085 O=C1N(C)C2=CC=CC=C2N1C AK189225 [0,1,0,0,1,0|2,0,0]=4 314 B13R2.3085 O=C1N(Cl)C(C2=C1C=CC=C2)=O AK105877 [0,1,0,0,1,0|2,0,0]=4 315 B13R2.3085 O=C1N(N)C(C2=C1C=CC=C2)=O AK-86251 [0,1,0,0,1,0|2,0,0]=4 316 B13R2.3085 O=C1N(O)C(C2=CC=CC=C12)=O AK-47868 [0,1,0,0,1,0|1,0,0]=3 317 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 AK-26794 [0,1,0,0,1,0|0,0,1]=3 318 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl AK-26712 [0,1,0,0,1,0|0,0,1]=3 319 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 AK-75781 [0,1,0,0,1,0|0,0,1]=3 320 B13R2.4825 FC1=C2NC(C(C2=CC=C1)=O)=O AK-29137 [0,1,0,0,1,0|0,0,1]=3 321 B13R2.4856 BrC1=C2C(=CC=C1)NC(C2=O)=O AK-31884 [0,1,0,0,1,0|0,0,1]=3 322 B13R2.4856 C1=CC=C(C2=C1NC(=O)C2=O)Cl AK-30079 [0,1,0,0,1,0|0,0,1]=3 323 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O AK-34773 [0,1,0,0,1,0|0,0,1]=3 324 B13R2.5190 C1=C(Br)C=CC2=C1NC(=O)C2=O AK-27181 [0,1,0,0,1,0|0,0,1]=3 325 B13R2.5190 C1=C(Cl)C=CC2=C1NC(=O)C2=O AK-30078 [0,1,0,0,1,0|0,0,1]=3 326 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O AK-41871 [0,1,0,0,1,0|0,0,1]=3 327 B15R2.984 C1=C2C(=CC(=C1C(O)=O)O)C=CC=C2 AK-73003 [0,2,0,0,0,0|1,0,0]=3 328 B15R2.984 NC1=CC2=C(C=CC=C2)C=C1C(O)=O AK-35789 [0,2,0,0,0,0|2,0,0]=4 329 B15R2.984 O=C(C1=CC2=C(NC1=O)N=CC=C2)O AK116316 [0,2,0,0,0,0|1,0,0]=3 330 B15R2.984 O=C(C1=NC2=C(C=CC=C2)NC1=O)O AK-24187 [0,2,0,0,0,0|1,0,0]=3 331 B15R2.984 O=C1OC2=C(C=CC=C2)C=C1C(O)=O AK324565 [0,2,0,0,0,0|1,0,0]=3 332 B15R2.984 OC(=O)C1=CC2=C(C=CC=C2)N=C1Cl AK-77229 [0,2,0,0,0,0|1,0,1]=4 333 B15R2.63893 C1=C2OC(=O)C(=C(C2=CC=C1O)C)Br AK-22067 [0,2,0,0,0,0|2,0,0]=4 334 B15R2.62227 O=C1NC2=C(C=C(F)C(F)=C2)NC1=O AK340569 [0,2,0,0,0,0|1,0,1]=4 335 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,0,1,1,0,0|0,0,2]=4 336 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [0,0,1,1,0,0|1,1,0]=4 337 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,0,1,1,0,0|1,0,0]=3 338 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,0,1,1,0,0|2,0,0]=4 339 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 AK-89515 [0,0,1,1,0,0|2,0,0]=4 340 B13R2.435 O1C2=C(N=C1C(C)=O)C=CC=C2 AK-31935 [0,0,1,1,0,0|2,0,0]=4 341 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,0,1,1,0,0|2,0,0]=4 342 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [0,0,1,1,0,0|2,0,0]=4 343 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,0,1,1,0,0|2,0,0]=4 344 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,0,1,1,0,0|1,1,0]=4 345 B13R2.1613 O=CC1=C2C=CC=CC2=CC=C1 AK105972 [0,0,1,1,0,0|2,0,0]=4 346 B13R2.1613 O=CC1=NC=CC2=CC=CC=C12 AK-35206 [0,0,1,1,0,0|2,0,0]=4 347 B13R2.54 BrC1=CC=CC2=C1C=C(N2)C=O AK100510 [0,0,1,1,0,0|2,0,0]=4 348 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,0,1,0,1,0|1,0,1]=4 349 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,0,1,0,1,0|0,0,2]=4 350 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,0,1,0,1,0|1,0,1]=4 351 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,0,1,0,1,0|0,0,1]=3 352 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,0,1,0,1,0|1,0,1]=4 353 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,0,1,0,1,0|1,0,1]=4 354 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,0,1,0,1,0|1,0,1]=4 355 B11R1.222 OC1=CC=CC=C1C(NO)=O AK-48843 [0,0,1,0,1,0|2,0,0]=4 356 B11R2.1 BrC1=CNC2=C1C=CN=C2 AK-28368 [1,0,0,0,1,0|2,0,0]=4 357 B11R2.1 BrC1=CNC2=C1C=NC=C2 AK115942 [1,0,0,0,1,0|2,0,0]=4 358 B11R2.1 BrC1=COC2=C1C=CC=C2 AK-90311 [1,0,0,0,1,0|2,0,0]=4 359 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [1,0,0,0,1,0|2,0,0]=4 360 B11R2.1 BrC1=C[NH]C2=CC=CN=C12 AK-65326 [1,0,0,0,1,0|2,0,0]=4 361 B11R2.1 BrC1=C[NH]C2=NC=CC=C12 AK-24119 [1,0,0,0,1,0|2,0,0]=4 362 B11R2.1 BrC1=NNC2=C1C=CC=C2 AK-23691 [1,0,0,0,1,0|2,0,0]=4 363 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [1,0,0,0,1,0|1,0,0]=3 364 B11R2.1 C1=CC=CC2=C1C(=N[NH]2)N AK-26928 [1,0,0,0,1,0|2,0,0]=4 365 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,0,1,0|0,0,2]=4 366 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [1,0,0,0,1,0|1,0,1]=4 367 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,0,1,0|1,0,1]=4 368 B11R2.1 CC1=CNC2=C1C=CC=N2 AK-49155 [1,0,0,0,1,0|2,0,0]=4 369 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [1,0,0,0,1,0|2,0,0]=4 370 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [1,0,0,0,1,0|2,0,0]=4 371 B11R2.1 ClC1=CNC2=C1C=CC=N2 AK-25034 [1,0,0,0,1,0|2,0,0]=4 372 B11R2.1 IC1=CNC2=C1C=CN=C2 AK-64834 [1,0,0,0,1,0|2,0,0]=4 373 B11R2.1 IC1=CNC2=C1C=NC=C2 AK-68321 [1,0,0,0,1,0|2,0,0]=4 374 B11R2.1 IC1=CNC2=CC=CN=C21 AK-68393 [1,0,0,0,1,0|2,0,0]=4 375 B11R2.1 IC1=NNC2=C1C=CC=C2 AK-24807 [1,0,0,0,1,0|2,0,0]=4 376 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [1,0,0,0,1,0|2,0,0]=4 377 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [1,0,0,0,1,0|1,0,1]=4 378 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,0,1,0|1,0,1]=4 379 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,0,1,0|1,0,1]=4 380 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [1,0,0,0,1,0|1,0,0]=3 381 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [1,0,0,0,1,0|2,0,0]=4 382 B11R2.10 BrC1=CC2=C(N1)N=CC=C2 AK-42548 [1,0,0,0,1,0|2,0,0]=4 383 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 AK-35557 [1,0,0,0,1,0|2,0,0]=4 384 B11R2.10 BrC1=NC2=C(N1)C=CC=C2 AK-35600 [1,0,0,0,1,0|2,0,0]=4 385 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [1,0,0,0,1,0|1,0,0]=3 386 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [1,0,0,0,1,0|1,0,0]=3 387 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [1,0,0,0,1,0|1,0,1]=4 388 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [1,0,0,0,1,0|1,0,0]=3 389 B11R2.10 C1=CC=NC2=C1OC(N2)=O AK-28047 [1,0,0,0,1,0|2,0,0]=4 390 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [1,0,0,0,1,0|2,0,0]=4 391 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [1,0,0,0,1,0|1,0,1]=4 392 B11R2.10 CC1=CC2=CC=CN=C2N1 AK-25051 [1,0,0,0,1,0|2,0,0]=4 393 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [1,0,0,0,1,0|2,0,0]=4 394 B11R2.10 ClC1=NC2=CC=CC=C2N1 AK-26782 [1,0,0,0,1,0|2,0,0]=4 395 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [1,0,0,0,1,0|1,0,0]=3 396 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [1,0,0,0,1,0|1,0,0]=3 397 B11R2.10 IC1=CC2=CC=CN=C2N1 AK-76575 [1,0,0,0,1,0|2,0,0]=4 398 B11R2.10 N1C2=CC=CN=C2NC1=O AK-24800 [1,0,0,0,1,0|2,0,0]=4 399 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [1,0,0,0,1,0|1,0,1]=4 400 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [1,0,0,0,1,0|2,0,0]=4 401 B11R2.10 NC1=NC2=CC=CC=C2N1 AK-54965 [1,0,0,0,1,0|2,0,0]=4 402 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [1,0,0,0,1,0|1,0,1]=4 403 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [1,0,0,0,1,0|1,0,1]=4 404 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [1,0,0,0,1,0|0,0,1]=3 405 B11R2.10 O=C1NC2=C(N1)C=NC=C2 AK161520 [1,0,0,0,1,0|2,0,0]=4 406 B11R2.10 O=C1NN2C=CC=CC2=C1 AK-89755 [1,0,0,0,1,0|1,0,0]=3 407 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [1,0,0,0,1,0|1,0,1]=4 408 B11R2.10 O=C1SC2=CC=CN=C2N1 AK438250 [1,0,0,0,1,0|2,0,0]=4 409 B11R2.10 OC1=CC2=C(N1)N=CC=C2 AK103904 [1,0,0,0,1,0|1,0,0]=3 410 B11R2.10 OC1=CN2C=CC=CC2=N1 AK-88442 [1,0,0,0,1,0|1,0,1]=4 411 B11R2.10 OC1=NC2=CC=CC=C2O1 AK-35787 [1,0,0,0,1,0|1,0,1]=4 412 B11R2.10 S=C1SC2=CC=CC=C2N1 AK-47877 [1,0,0,0,1,0|1,1,0]=4 413 B11R2.36 C1=CC2=C([NH]1)C=CC(=C2)O AK-39838 [1,0,0,0,1,0|2,0,0]=4 414 B11R2.36 O=C1C=CC2=C(NC=N2)N1 AK-67949 [1,0,0,0,1,0|2,0,0]=4 415 B11R2.36 O=C1C=CC=2NC=CC2N1 AK-60577 [1,0,0,0,1,0|1,0,0]=3 416 B11R2.36 OC1=CC2=C(NC=C2)N=C1 AK-29643 [1,0,0,0,1,0|1,0,1]=4 417 B11R2.36 OC1=CN=C2C=CSC2=C1 AK-38475 [1,0,0,0,1,0|1,0,1]=4 418 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,0,1,0,0,1|0,0,2]=4 419 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,0,1,0,0,1|2,0,0]=4