0 B14R2.781 C1=C([N+](=O)[O-])C=CC2=NC=CC=C12 AK-30062 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.781 C1=C([N+]([O-])=O)C=CC2=C1N=CC=C2 AK-23983 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.781 C1=C2C(=CN=C1C(O)=O)C=CC=C2 AK-26235 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.781 C1=CC2=C(C=C(C=C2)C(=O)O)N=C1 AK-28074 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.781 C1=CC2=C(C=C1)C=C(C=C2)B(O)O AK-29150 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.781 C1=CC=CC2=CC=C(N=C12)C(O)=O AK-29611 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.781 C1=CC=CC2=NC=C(N=C12)C(O)=O AK-23657 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.781 CC(=O)C1=CC2=C(CCNC2)C=C1 AK-41655 [0,0,0,0,0,0|1,0,3]=4 8 B14R2.781 CC(C1=CC2=C(NCCC2)C=C1)=O AK167483 [0,0,0,0,0,0|1,0,3]=4 9 B14R2.781 CC(C1=CC=C2C=CC=CC2=C1)=O AK-41057 [0,0,0,0,0,0|0,0,0]=0 10 B14R2.781 CC(C1=CC=C2N=CC=NC2=C1)=O AK141239 [0,0,0,0,0,0|2,0,0]=2 11 B14R2.781 CC(C1=CC=C2OCCOC2=C1)=O AK-39077 [0,0,0,0,0,0|2,0,2]=4 12 B14R2.781 N=C(C1=CC2=C(C=N1)C=CC=C2)N AK133402 [0,0,0,0,0,0|3,0,0]=3 13 B14R2.781 N=C(C1=NC2=CC=CC=C2C=C1)N AK133401 [0,0,0,0,0,0|3,0,0]=3 14 B14R2.781 N=C(C1=NC2=CC=NC=C2C=C1)N AK133500 [0,0,0,0,0,0|4,0,0]=4 15 B14R2.781 O=C(C1=CC2=C(C=N1)C=CC=C2)O AK-29928 [0,0,0,0,0,0|2,0,0]=2 16 B14R2.781 O=C(C1=CC2=C(C=NC=C2)C=C1)O AK-32779 [0,0,0,0,0,0|2,0,0]=2 17 B14R2.781 O=C(C1=CC2=CC=CC=C2N=C1)O AK-26223 [0,0,0,0,0,0|2,0,0]=2 18 B14R2.781 O=C(C1=CC2=CC=CN=C2N=C1)O AK113006 [0,0,0,0,0,0|3,0,0]=3 19 B14R2.781 O=C(C1=CC=C2N=CC=CC2=C1)O AK-24770 [0,0,0,0,0,0|2,0,0]=2 20 B14R2.781 O=C(C1=CC=C2N=CC=NC2=C1)O AK-36121 [0,0,0,0,0,0|3,0,0]=3 21 B14R2.781 O=C(C1=NC2=CC=CC=C2N=C1)N AK138279 [0,0,0,0,0,0|3,0,0]=3 22 B14R2.781 O=C(C1=NC2=CC=NC=C2C=C1)O AK-86351 [0,0,0,0,0,0|3,0,0]=3 23 B14R2.781 O=C(C1=NC2=NC=CC=C2C=C1)O AK112896 [0,0,0,0,0,0|3,0,0]=3 24 B14R2.781 O=C(N)C1=CC=C2C=CC=CC2=C1 AK126301 [0,0,0,0,0,0|1,0,0]=1 25 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 AK-44143 [0,0,0,0,0,0|1,0,0]=1 26 B14R2.781 O=[N+](C1=CC2=NC=NC=C2C=C1)[O-] AK164793 [0,0,0,0,0,0|4,0,0]=4 27 B14R2.781 OB(C1=CC2=CC=CC=C2N=C1)O AK-33891 [0,0,0,0,0,0|3,0,1]=4 28 B14R2.781 OB(C1=CC=C2N=CC=CC2=C1)O AK-25876 [0,0,0,0,0,0|3,0,1]=4 29 B14R2.781 OC(=O)C1=CC=C2N=CN=CC2=C1 AK-27621 [0,0,0,0,0,0|3,0,0]=3 30 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AK-48607 [1,0,0,0,0,0|1,0,1]=3 31 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 AK199207 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 AK-35655 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 AK-48123 [1,0,0,0,0,0|0,0,2]=3 34 B13R2.57 C1=C(C=CC2=NC=CC=C12)C=O AK-25085 [1,0,0,0,0,0|1,0,0]=2 35 B13R2.57 C1=C(C=CC2=NC=CC=C12)CO AK-25097 [1,0,0,0,0,0|1,0,2]=4 36 B13R2.57 C1=C(NN)C=CC2=CC=CC=C12 AK-30555 [1,0,0,0,0,0|2,0,0]=3 37 B13R2.57 C1=C2C(=CC=C1)C=C(C=C2)CO AK-48971 [1,0,0,0,0,0|0,0,2]=3 38 B13R2.57 C1=NC(=CC2=C1C=CC=C2)C=O AK-24631 [1,0,0,0,0,0|1,0,0]=2 39 B13R2.57 C1=NC(=CC2=CC=CC=C12)CN AK-39317 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.57 C1=NC(=CC2=CC=CC=C12)CO AK-24630 [1,0,0,0,0,0|1,0,2]=4 41 B13R2.57 COC1=CC2=C(C=C1)C=CN=C2 AK-35027 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 AK-39658 [1,0,0,0,0,0|2,0,0]=3 43 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 AK110812 [1,0,0,0,0,0|1,0,0]=2 44 B13R2.57 COC1=CC2=C(C=NC=C2)C=C1 AK-35505 [1,0,0,0,0,0|2,0,0]=3 45 B13R2.57 COC1=CC2=CC=CC=C2N=C1 AK-39637 [1,0,0,0,0,0|2,0,0]=3 46 B13R2.57 COC1=CC=C2C=CC=NC2=C1 AK-35323 [1,0,0,0,0,0|2,0,0]=3 47 B13R2.57 COC1=NC2=CC=CC=C2C=C1 AK-94453 [1,0,0,0,0,0|2,0,0]=3 48 B13R2.57 ClCC1=CC2=C(C=N1)C=CC=C2 AK-47007 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.57 ClCC1=CC2=C(C=N1)C=CC=C2 AK-47121 [1,0,0,0,0,0|2,0,1]=4 50 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 AK-77406 [1,0,0,0,0,0|2,0,1]=4 51 B13R2.57 N#CC1=CC2=C(C=C1)C=CN=C2 AK-54885 [1,0,0,0,0,0|2,0,1]=4 52 B13R2.57 N#CC1=CC2=C(C=C1)C=NC=C2 AK-74313 [1,0,0,0,0,0|2,0,1]=4 53 B13R2.57 N#CC1=CC2=C(C=N1)C=CC=C2 AK-34461 [1,0,0,0,0,0|2,0,1]=4 54 B13R2.57 N1=CC=CC2=CC(=CC=C12)C#N AK-25091 [1,0,0,0,0,0|2,0,1]=4 55 B13R2.57 N1=CC=NC2=CC(=CC=C12)C=O AK-25353 [1,0,0,0,0,0|2,0,0]=3 56 B13R2.57 NCC1=CC2=C(C=CC=C2)C=C1 AK-33985 [1,0,0,0,0,0|1,0,1]=3 57 B13R2.57 NCC1=CC2=C(C=N1)C=CC=C2 AK162840 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 AK-49046 [1,0,0,0,0,0|1,0,1]=3 59 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 AK-24967 [1,0,0,0,0,0|2,0,1]=4 60 B13R2.57 NNC1=CC2=C(C=CC=C2)N=C1 AK-82067 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.57 NNC1=CC=C2C=CC=NC2=C1 AK123011 [1,0,0,0,0,0|3,0,0]=4 62 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 AK-30242 [1,0,0,0,0,0|1,0,0]=2 63 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 AK-25470 [1,0,0,0,0,0|2,0,0]=3 64 B15R2.627 ClC1=C(C=NC2=CC=CC=C12)[N+](=O)[O-] AK-23758 [0,1,0,0,0,0|3,0,0]=4 65 B15R2.627 NC1=C2C=CC=CC2=CC=C1C(O)=O AK102038 [0,1,0,0,0,0|1,0,0]=2 66 B15R2.627 O=C(C1=C(O)C2=CC=CC=C2N=C1)O AK-34782 [0,1,0,0,0,0|2,0,0]=3 67 B15R2.627 O=C(C1=C(O)C2=NC=CC=C2N=C1)O AK-31929 [0,1,0,0,0,0|3,0,0]=4 68 B15R2.627 O=C(C1=NN=C2C=CC=CC2=C1N)N AK198819 [0,1,0,0,0,0|3,0,0]=4 69 B15R2.627 OC(=O)C1=C(Br)C2=C(C=CC=C2)C=C1 AK-25577 [0,1,0,0,0,0|1,0,0]=2 70 B15R2.627 OC(=O)C1=CNC2=C(C=CC=C2)C1=O AK-58702 [0,1,0,0,0,0|2,0,0]=3 71 B15R2.627 OC1=C([N+]([O-])=O)C=NC2=CC=CC=C12 AK-68303 [0,1,0,0,0,0|3,0,0]=4 72 B15R2.627 OC1=C2C=CC=CC2=CC=C1[N+]([O-])=O AK-30048 [0,1,0,0,0,0|2,0,0]=3 73 B15R2.984 C1=C2C(=CC(=C1C(O)=O)O)C=CC=C2 AK-73003 [0,1,0,0,0,0|1,0,0]=2 74 B15R2.984 ClC1=NC2=CC=CC=C2N=C1C(=O)O AK-40100 [0,1,0,0,0,0|3,0,0]=4 75 B15R2.984 NC1=CC2=C(C=CC=C2)C=C1C(O)=O AK-35789 [0,1,0,0,0,0|1,0,0]=2 76 B15R2.984 O=C(C1=CC2=C(NC1=O)N=CC=C2)O AK116316 [0,1,0,0,0,0|3,0,0]=4 77 B15R2.984 O=C(C1=NC2=C(C=CC=C2)NC1=O)O AK-24187 [0,1,0,0,0,0|3,0,0]=4 78 B15R2.984 O=C1OC2=C(C=CC=C2)C=C1C(O)=O AK324565 [0,1,0,0,0,0|2,0,0]=3 79 B15R2.984 OC(=O)C1=CC2=C(C=CC=C2)N=C1Cl AK-77229 [0,1,0,0,0,0|2,0,0]=3 80 B15R2.1601 C1=C(C=CC2=CC=CC=C12)C(=O)C=O AK-10003 [0,1,0,0,0,0|0,0,1]=2 81 B15R2.1601 CC[C@@H](C1=CC=C2C=CC=CC2=C1)N AK172717 [0,1,0,0,0,0|1,0,1]=3 82 B15R2.1601 CC[C@H](C1=CC=C2C=CC=CC2=C1)N AK172719 [0,1,0,0,0,0|1,0,1]=3 83 B15R2.1601 COC(=O)C1=CC=C2N=NC=CC2=C1 AK100180 [0,1,0,0,0,0|2,0,0]=3 84 B15R2.1601 COC(=O)C1=NC2=C(C=CC=C2)C=C1 AK-49531 [0,1,0,0,0,0|1,0,0]=2 85 B15R2.1601 COC(=O)C1=NC2=C(C=CC=C2)N=C1 AK104908 [0,1,0,0,0,0|2,0,0]=3 86 B15R2.1601 N[C@H](C1=CC=C2C=CC=CC2=C1)CO AK544217 [0,1,0,0,0,0|1,0,1]=3 87 B15R2.1601 O=C(C1=CC2=C(C=N1)C=CC=C2)OC AK-29972 [0,1,0,0,0,0|1,0,0]=2 88 B15R2.1601 O=C(C1=CC2=CC=CC=C2N=C1)OC AK130436 [0,1,0,0,0,0|1,0,0]=2 89 B15R2.1601 O=C(C1=CC=C2N=CC=CC2=C1)OC AK-39659 [0,1,0,0,0,0|1,0,0]=2 90 B15R2.1601 O=C(OC)C1=CC=C2C=CC=CC2=C1 AK309188 [0,1,0,0,0,0|0,0,0]=1 91 B15R2.7174 CC(=O)C1=CC2=C(C=C1)N=CC(Br)=C2 AK109658 [0,1,0,0,0,0|1,0,0]=2 92 B15R2.7174 O=C(C1=CC2=C(C=N1)C=CC(Br)=C2)O AK136133 [0,1,0,0,0,0|2,0,0]=3 93 B15R2.7174 O=C(C1=CC2=CC(Br)=CC=C2N=C1)N AK138121 [0,1,0,0,0,0|2,0,0]=3 94 B15R2.7174 O=C(C1=CC2=CC(Br)=CC=C2N=C1)O AK-36415 [0,1,0,0,0,0|2,0,0]=3 95 B15R2.7174 O=C(C1=CC2=CC(O)=CC=C2N=C1)O AK164630 [0,1,0,0,0,0|2,0,0]=3 96 B15R2.7174 O=C(C1=CC=C2N=CC(F)=CC2=C1)O AK164728 [0,1,0,0,0,0|2,0,0]=3 97 B15R2.7174 O=C(C1=CC=C2N=CC(O)=CC2=C1)O AK174495 [0,1,0,0,0,0|2,0,0]=3 98 B15R2.7174 O=C(C1=NC2=CC(Br)=CC=C2C=C1)O AK-76417 [0,1,0,0,0,0|2,0,0]=3 99 B15R2.7174 O=[N+](C1=CC=C2N=CC(Br)=CC2=C1)[O-] AK126283 [0,1,0,0,0,0|3,0,0]=4 100 B15R2.7174 OC(=O)C1=CC2=C(C=CC(Cl)=C2)N=C1 AK-27455 [0,1,0,0,0,0|2,0,0]=3 101 B15R2.7174 [O-][N+](=O)C1=CC2=C(C=CC(Cl)=N2)C=C1 AK100619 [0,1,0,0,0,0|3,0,0]=4 102 B15R2.7180 CC(C1=CC=C2C=C(Br)C=CC2=C1)=O AK157917 [0,1,0,0,0,0|0,0,0]=1 103 B15R2.7180 CC1=NC2=CC=C(C=C2C=C1)C(=O)O AK-26647 [0,1,0,0,0,0|2,0,0]=3 104 B15R2.7180 CN(C)C1=CC2=C(C=C1)N=C(C)C=C2 AK111037 [0,1,0,0,0,0|3,0,0]=4 105 B15R2.7180 N=C(N)C1=CC=C2C=C(O)C=CC2=C1 AK-39286 [0,1,0,0,0,0|2,0,0]=3 106 B15R2.7180 NC1=CC=C2C=C([N+]([O-])=O)C=CC2=C1 AK140736 [0,1,0,0,0,0|2,0,0]=3 107 B15R2.7180 O=C(C1=CC2=C(C=N1)C=C(Br)C=C2)O AK-30596 [0,1,0,0,0,0|2,0,0]=3 108 B15R2.7180 O=C(C1=CC2=CC=C(O)C=C2N=C1)O AK164656 [0,1,0,0,0,0|2,0,0]=3 109 B15R2.7180 O=C(C1=CC=2C=CC(=O)OC2C=C1)O AK117360 [0,1,0,0,0,0|2,0,0]=3 110 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 AK-86916 [0,1,0,0,0,0|1,0,0]=2 111 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1 AK146040 [0,1,0,0,0,0|1,0,0]=2 112 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=C1 AK-62829 [0,1,0,0,0,0|1,0,0]=2 113 B15R2.7180 OC(=O)C1=CC2=C(C=C(Br)C=C2)N=C1 AK-68195 [0,1,0,0,0,0|2,0,0]=3 114 B15R2.7180 OC(=O)C1=CC2=C(C=C1)N=C(Cl)C=C2 AK-27458 [0,1,0,0,0,0|2,0,0]=3 115 B15R2.7180 OC(=O)C1=NC2=C(C=C1)C=C(Br)C=C2 AK-76123 [0,1,0,0,0,0|2,0,0]=3 116 B15R2.7180 OC1=CC2=CC=C(B(O)O)C=C2C=C1 AK-62697 [0,1,0,0,0,0|2,0,1]=4 117 B15R2.7180 [O-][N+](=O)C1=CC=C2OC(=O)C=CC2=C1 AK-89561 [0,1,0,0,0,0|3,0,0]=4 118 B15R2.13598 BrC1=C2N=CC(=CC2=CC=C1)C(=O)O AK-40010 [0,1,0,0,0,0|2,0,0]=3 119 B15R2.13598 O=C(C1=CC2=CC=CC(Br)=C2N=C1)O AK136119 [0,1,0,0,0,0|2,0,0]=3 120 B15R2.13598 O=C(C1=CC2=CC=CC(N)=C2N=C1)O AK200350 [0,1,0,0,0,0|2,0,0]=3 121 B15R2.13598 O=C(C1=CC=2N=CNC(C2C=C1)=O)O AK-27317 [0,1,0,0,0,0|3,0,0]=4 122 B15R2.13598 O=C(C1=CC=C2C(O)=CC=NC2=C1)O AK-76092 [0,1,0,0,0,0|2,0,0]=3 123 B15R2.13598 O=C(C1=NC2=CC=CC(Cl)=C2C=C1)O AK148471 [0,1,0,0,0,0|2,0,0]=3 124 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 AK-28350 [0,1,0,0,0,0|1,0,0]=2 125 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 AK160462 [0,1,0,0,0,0|1,0,0]=2 126 B15R2.13598 O=[N+](C1=CC=C2C(Br)=CC=NC2=C1)[O-] AK-27674 [0,1,0,0,0,0|3,0,0]=4 127 B15R2.13598 OC(=O)C1=CC2=C(C=C1)C(=O)C=CN2 AK-76339 [0,1,0,0,0,0|2,0,0]=3 128 B15R2.13598 OC(=O)C1=CC2=C(C=C1)C(Cl)=CC=N2 AK-27497 [0,1,0,0,0,0|2,0,0]=3 129 B15R2.14951 O=C(C1=CC(O)=C2N=CC=CC2=C1)O AK311511 [0,1,0,0,0,0|2,0,0]=3 130 B15R2.14951 O=C(C1=NC2=CC=CC=C2C(O)=C1)O AK-26023 [0,1,0,0,0,0|2,0,0]=3 131 B15R2.14951 O=[N+](C1=CC(Br)=C2N=CC=CC2=C1)[O-] AK186843 [0,1,0,0,0,0|3,0,0]=4 132 B15R2.14951 OC(=O)C1=NC2=C(C=CC=C2)C(Br)=C1 AK-72594 [0,1,0,0,0,0|2,0,0]=3 133 B15R2.61353 BrC1=CC=NC2=CC=C(C=C12)C(=O)O AK-27564 [0,1,0,0,0,0|2,0,0]=3 134 B15R2.61353 OC(=O)C1=NC2=C(C=CC=C2Br)C=C1 AK-31169 [0,1,0,0,0,0|2,0,0]=3 135 B15R2.61353 [O-][N+](=O)C1=CC2=C(C=C1)N=CC=C2Br AK-99935 [0,1,0,0,0,0|3,0,0]=4 136 B15R2.61353 [O-][N+](=O)C1=CC2=C(C=CNC2=O)C=C1 AK109828 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.90 O=C(O)\C=C\C1=CC=CC=C1C=O AK-44934 [0,0,1,0,0,0|2,0,0]=3 138 B13R2.72 C1=CC=CC2=C1C(=C[NH]2)C(C)=O AK-47338 [0,0,0,0,1,0|1,0,0]=2 139 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 AK103933 [0,0,0,0,1,0|2,0,0]=3 140 B13R2.72 CC(=O)C1=CNC2=C1C=CN=C2 AK-80921 [0,0,0,0,1,0|2,0,0]=3 141 B13R2.72 CC(=O)C1=NNC2=C1C=CC=N2 AK104037 [0,0,0,0,1,0|3,0,0]=4 142 B13R2.72 CC(C1=CNC2=C1C=NC=C2)=O AK141015 [0,0,0,0,1,0|2,0,0]=3 143 B13R2.72 CC(N1CCC2=C1C=CC=C2)=O AK-47012 [0,0,0,0,1,0|1,0,2]=4 144 B13R2.72 O1C2=C(C(=N1)C(=O)O)C=CC=C2 AK-31280 [0,0,0,0,1,0|3,0,0]=4 145 B13R2.72 O=C(C1=C2C=CC=CN2N=C1)O AK-27754 [0,0,0,0,1,0|3,0,0]=4 146 B13R2.72 O=C(C1=CN=C2C=CC=CN21)O AK-30256 [0,0,0,0,1,0|3,0,0]=4 147 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)N AK-42150 [0,0,0,0,1,0|2,0,0]=3 148 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)O AK-46089 [0,0,0,0,1,0|2,0,0]=3 149 B13R2.72 O=C(C1=CNC2=C1C=CC=N2)C AK-24555 [0,0,0,0,1,0|2,0,0]=3 150 B13R2.72 O=C(C1=CNC2=C1C=NC=C2)O AK-45852 [0,0,0,0,1,0|3,0,0]=4 151 B13R2.72 O=C(C1=CNC2=CC=CN=C12)O AK-36589 [0,0,0,0,1,0|3,0,0]=4 152 B13R2.72 O=C(C1=CNC2=NC=CC=C21)O AK-46690 [0,0,0,0,1,0|3,0,0]=4 153 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)N AK-46919 [0,0,0,0,1,0|3,0,0]=4 154 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)O AK-27131 [0,0,0,0,1,0|3,0,0]=4 155 B13R2.72 O=[N+](C1=CNC2=C1C=CC=C2)[O-] AK117845 [0,0,0,0,1,0|3,0,0]=4 156 B13R2.72 OC(=O)C1=C2C=CC=CN2C=N1 AK-27298 [0,0,0,0,1,0|3,0,0]=4 157 B13R2.72 S1C2=C(C(=C1)C(=O)O)C=CC=C2 AK-29353 [0,0,0,0,1,0|2,0,0]=3 158 B13R2.430 CC(C1=CC2=C(NC=C2)C=C1)=O AK105161 [0,0,0,0,1,0|1,0,0]=2 159 B13R2.430 CC(C1=CN2C(C=C1)=NC=C2)=O AK543898 [0,0,0,0,1,0|2,0,0]=3 160 B13R2.430 O=C(C1=CC2=C(C=C1)C=CN2)O AK-25192 [0,0,0,0,1,0|2,0,0]=3 161 B13R2.430 O=C(C1=CC2=C(C=C1)C=NN2)O AK-29449 [0,0,0,0,1,0|3,0,0]=4 162 B13R2.430 O=C(C1=CC2=C(NC=C2)C=C1)O AK-28856 [0,0,0,0,1,0|2,0,0]=3 163 B13R2.430 O=C(C1=CC2=C(NN=C2)C=C1)O AK-26188 [0,0,0,0,1,0|3,0,0]=4 164 B13R2.430 O=C(C1=CC2=C(OC=C2)C=N1)O AK-43733 [0,0,0,0,1,0|3,0,0]=4 165 B13R2.430 O=C(C1=CC2=CN=CN2C=C1)O AK154009 [0,0,0,0,1,0|3,0,0]=4 166 B13R2.430 O=C(C1=CC=C2N=COC2=C1)O AK-72789 [0,0,0,0,1,0|3,0,0]=4 167 B13R2.430 O=C(C1=CC=C2NC=NC2=C1)N AK115220 [0,0,0,0,1,0|3,0,0]=4 168 B13R2.430 O=C(C1=CC=C2NC=NC2=C1)O AK-27294 [0,0,0,0,1,0|3,0,0]=4 169 B13R2.430 O=C(C1=CC=C2SC=NC2=C1)O AK-28116 [0,0,0,0,1,0|3,0,0]=4 170 B13R2.430 O=C(C1=CN2C(C=C1)=CN=C2)O AK-29945 [0,0,0,0,1,0|3,0,0]=4 171 B13R2.430 O=C(C1=CN2C(C=C1)=NC=C2)O AK-30259 [0,0,0,0,1,0|3,0,0]=4 172 B13R2.430 O=C(C1=CN=C2C(NC=C2)=C1)O AK114425 [0,0,0,0,1,0|3,0,0]=4 173 B13R2.430 O=C(C1=CN=C2NC=CC2=C1)O AK-44421 [0,0,0,0,1,0|3,0,0]=4 174 B13R2.430 O=N(=O)C1=CC2=C(NC=C2)C=C1 AK-45963 [0,0,0,0,1,0|3,0,0]=4 175 B13R2.430 O=[N+](C1=CC2=C(C=C1)C=CN2)[O-] AK-26970 [0,0,0,0,1,0|3,0,0]=4 176 B13R2.430 O=[N+](C1=CC=C2C(C=CS2)=C1)[O-] AK126584 [0,0,0,0,1,0|3,0,0]=4 177 B13R2.430 O=[N+](C1=CC=C2OC=CC2=C1)[O-] AK127625 [0,0,0,0,1,0|3,0,0]=4 178 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 AK-29522 [0,0,0,0,1,0|2,0,0]=3 179 B13R2.430 OC(=O)C1=CC2=C(NC=C2)C=N1 AK100626 [0,0,0,0,1,0|3,0,0]=4 180 B13R2.430 OC(=O)C1=CC2=C(OC=C2)C=C1 AK-29581 [0,0,0,0,1,0|2,0,0]=3 181 B13R2.430 OC(=O)C1=CC2=C(OC=N2)C=C1 AK-82316 [0,0,0,0,1,0|3,0,0]=4 182 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [0,0,0,0,1,0|1,0,0]=2 183 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,0,0,0,1,0|2,0,0]=3 184 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,0,0,0,1,0|3,0,0]=4 185 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O AK106395 [0,0,0,0,1,0|2,0,0]=3 186 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 AK-89515 [0,0,0,0,1,0|3,0,0]=4 187 B13R2.435 O1C2=C(N=C1C(C)=O)C=CC=C2 AK-31935 [0,0,0,0,1,0|2,0,0]=3 188 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O AK161700 [0,0,0,0,1,0|3,0,0]=4 189 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [0,0,0,0,1,0|3,0,0]=4 190 B13R2.435 O=C(C1=CN2C=CC=CC2=N1)O AK-30092 [0,0,0,0,1,0|3,0,0]=4 191 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,0,0,0,1,0|1,0,0]=2 192 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [0,0,0,0,1,0|3,0,0]=4 193 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [0,0,0,0,1,0|3,0,0]=4 194 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,0,0,0,1,0|2,0,0]=3 195 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,0,0,0,1,0|2,0,0]=3 196 B13R2.435 S1C2=C(N=C1C(=O)O)C=CC=C2 AK-40963 [0,0,0,0,1,0|3,0,0]=4 197 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [0,0,0,0,1,0|3,0,0]=4 198 B15R2.1668 CC(NC1=CC=C2N=CC=CC2=C1)=O AK162745 [0,0,0,0,0,1|1,0,0]=2 199 B15R2.1668 FC(F)OC1=CC=C2C=CC=CC2=C1 AK-62201 [0,0,0,0,0,1|2,0,1]=4 200 B15R2.1668 O=C(O)CC1=CC=C2C=CC=CC2=C1 AK-88438 [0,0,0,0,0,1|1,0,0]=2 201 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 AK-73087 [0,0,0,0,0,1|2,0,0]=3 202 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [1,0,1,0,0,0|2,0,0]=4 203 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [1,0,1,0,0,0|1,0,1]=4 204 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [1,0,1,0,0,0|1,0,1]=4 205 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [1,0,1,0,0,0|2,0,0]=4 206 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 AK-23692 [2,0,0,0,0,0|2,0,0]=4 207 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AK-27162 [2,0,0,0,0,0|2,0,0]=4 208 B12R2.24 BrC1=CC=C2C(=C1)C=NC=C2 AK-26157 [2,0,0,0,0,0|2,0,0]=4 209 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 AK-26028 [2,0,0,0,0,0|2,0,0]=4 210 B12R2.24 C1=C(Br)C=CC2=C1C=CN=C2 AK-23508 [2,0,0,0,0,0|2,0,0]=4 211 B12R2.24 C1=C(C=C2C(=C1)N=CC=C2)Cl AK-26786 [2,0,0,0,0,0|2,0,0]=4 212 B12R2.24 C1=C(F)C=CC2=C1C=CC=N2 AK-30337 [2,0,0,0,0,0|2,0,0]=4 213 B12R2.24 C1=C(N)C=CC2=C1N=CC=C2 AK-23984 [2,0,0,0,0,0|2,0,0]=4 214 B12R2.24 C1=C(N)N=CC2=CC=CC=C12 AK-27774 [2,0,0,0,0,0|2,0,0]=4 215 B12R2.24 C1=C(O)C=CC2=NC=CC=C12 AK-26149 [2,0,0,0,0,0|1,0,1]=4 216 B12R2.24 C1=C2C(=CC=C1Br)C=CC=C2 AK-35732 [2,0,0,0,0,0|1,0,0]=3 217 B12R2.24 C1=C2C(=NC=C1Cl)C=CC=C2 AK-39638 [2,0,0,0,0,0|2,0,0]=4 218 B12R2.24 C1=C2C(=NC=C1O)C=CC=C2 AK-26151 [2,0,0,0,0,0|1,0,1]=4 219 B12R2.24 C1=CC(=CC2=C1C=CC=N2)Cl AK-39660 [2,0,0,0,0,0|2,0,0]=4 220 B12R2.24 C1=CC2=C(N=C1N)C=CC=C2 AK-26798 [2,0,0,0,0,0|2,0,0]=4 221 B12R2.24 C1=CC=C2C(=N1)C=CC(=C2)Br AK-26082 [2,0,0,0,0,0|2,0,0]=4 222 B12R2.24 C1=CC=CC2=CC=C(N=C12)Br AK-24234 [2,0,0,0,0,0|2,0,0]=4 223 B12R2.24 C1=CC=CC2=CC=C(N=C12)Cl AK-27768 [2,0,0,0,0,0|2,0,0]=4 224 B12R2.24 C1=NC=CC2=CC=C(C=C12)N AK-25639 [2,0,0,0,0,0|2,0,0]=4 225 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [2,0,0,0,0,0|1,0,0]=3 226 B12R2.24 CC1=NC2=NC=CC=C2C=C1 AK-44284 [2,0,0,0,0,0|2,0,0]=4 227 B12R2.24 ClC1=CC2=C(C=C1)C=CN=C2 AK-39352 [2,0,0,0,0,0|2,0,0]=4 228 B12R2.24 ClC1=CC2=C(C=NC=C2)C=C1 AK-35918 [2,0,0,0,0,0|2,0,0]=4 229 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AK-24474 [2,0,0,0,0,0|2,0,0]=4 230 B12R2.24 FC1=CC2=C(C=CN=C2)C=C1 AK-54877 [2,0,0,0,0,0|2,0,0]=4 231 B12R2.24 FC1=CC2=C(C=NC=C2)C=C1 AK-47714 [2,0,0,0,0,0|2,0,0]=4 232 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 AK110894 [2,0,0,0,0,0|1,0,0]=3 233 B12R2.24 IC1=CC=C2N=CC=CC2=C1 AK-28766 [2,0,0,0,0,0|2,0,0]=4 234 B12R2.24 NC1=CC=C2C=CC=NC2=C1 AK173105 [2,0,0,0,0,0|2,0,0]=4 235 B12R2.24 NC1=CC=C2C=NC=CC2=C1 AK-27243 [2,0,0,0,0,0|2,0,0]=4 236 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AK-29433 [2,0,0,0,0,0|2,0,0]=4 237 B12R2.24 O=C1NC2=CC=CN=C2C=C1 AK-38086 [2,0,0,0,0,0|2,0,0]=4 238 B12R2.24 O=C1NC2=CN=CC=C2C=C1 AK-40195 [2,0,0,0,0,0|2,0,0]=4 239 B12R2.24 OC1=CC2=C(C=NC=C2)C=C1 AK-24368 [2,0,0,0,0,0|1,0,1]=4 240 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AK-24768 [2,0,0,0,0,0|1,0,1]=4 241 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [2,0,0,0,0,0|1,0,1]=4 242 B14R1.419 O=C(O)C1=CC=C(\C=C\C(O)=O)C=C1 AK112236 [0,1,1,0,0,0|2,0,0]=4 243 B14R1.756 O=C(OC)C(\C=C\C1=CC=CC=C1)=O AK685036 [0,1,1,0,0,0|1,0,0]=3 244 B14R2.92 COC1=C(Br)C2=C(C=CC=C2)C=C1 AK-61767 [1,1,0,0,0,0|1,0,0]=3 245 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br AK-39623 [1,1,0,0,0,0|2,0,0]=4 246 B14R2.92 N#CC1=CC=C2C=CC=CC2=C1N AK198913 [1,1,0,0,0,0|1,0,1]=4 247 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1Br AK309830 [1,1,0,0,0,0|0,0,0]=2 248 B14R2.92 O=CC1=COC2=CC=CC=C2C1=O AK-60932 [1,1,0,0,0,0|1,0,0]=3 249 B14R2.112 C1=CC(=NC2=C1C=CC=C2)CCO AK-28366 [1,1,0,0,0,0|1,0,1]=4 250 B14R2.112 CNCC1=CC=C2C=CC=CC2=C1 AK115895 [1,1,0,0,0,0|0,0,1]=3 251 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 AK-79279 [1,1,0,0,0,0|0,0,1]=3 252 B14R2.134 CC1=CC2=C(C=N1)C=CC(OC)=C2 AK141571 [1,1,0,0,0,0|2,0,0]=4 253 B14R2.134 COC1=CC=C2C=CC(C)=NC2=C1 AK101790 [1,1,0,0,0,0|2,0,0]=4 254 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 AK-37986 [1,1,0,0,0,0|2,0,0]=4 255 B14R2.134 COC1=NC2=CC(Br)=CC=C2C=C1 AK120135 [1,1,0,0,0,0|2,0,0]=4 256 B14R2.134 N#CC1=CC=C2C=CC(O)=CC2=C1 AK-57326 [1,1,0,0,0,0|1,0,1]=4 257 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 AK-25214 [1,1,0,0,0,0|2,0,0]=4 258 B14R2.142 O=C1C=CNC2=C1C=C(OC)C=C2 AK-51079 [1,1,0,0,0,0|2,0,0]=4 259 B14R2.142 OC1=C2N=C(C=O)C=CC2=CC=C1 AK-25425 [1,1,0,0,0,0|1,0,0]=3 260 B14R2.142 OC1=CC=NC2=CC=C(OC)C=C12 AK-26934 [1,1,0,0,0,0|2,0,0]=4 261 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 AK-31837 [1,1,0,0,0,0|2,0,0]=4 262 B14R2.1019 COC1=CC(N)=C2N=CC=CC2=C1 AK-27173 [1,1,0,0,0,0|2,0,0]=4 263 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl AK-40038 [1,1,0,0,0,0|1,0,0]=3 264 B14R2.1801 CC1=CC=NC2=CC(OC)=CC=C12 AK-83171 [1,1,0,0,0,0|2,0,0]=4 265 B14R2.1801 CC1=CC=NC2=CC(OC)=CC=C12 AK172810 [1,1,0,0,0,0|2,0,0]=4 266 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 AK-76130 [1,1,0,0,0,0|2,0,0]=4 267 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 AK-26257 [1,1,0,0,0,0|2,0,0]=4 268 B14R2.1801 O=C1C=COC2=C1C=CC(OC)=C2 AK104798 [1,1,0,0,0,0|2,0,0]=4 269 B14R2.1801 OC1=C2C=CC(OC)=CC2=CC=C1 AK-81857 [1,1,0,0,0,0|1,0,0]=3 270 B14R2.2332 C(#N)C1=CC=C2C=C(C=CC2=C1)O AK-27052 [1,1,0,0,0,0|1,0,1]=4 271 B14R2.2332 C1=C2C(=CC=C1OC)C=C(Br)C=C2 AK-35398 [1,1,0,0,0,0|1,0,0]=3 272 B14R2.2332 CCC1=CC2=C(C=C1)C=C(O)C=C2 AK-33971 [1,1,0,0,0,0|0,0,1]=3 273 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=N2 AK-38059 [1,1,0,0,0,0|2,0,0]=4 274 B14R2.2332 COC1=CC2=C(C=C1)N=C(C)C=C2 AK-86842 [1,1,0,0,0,0|2,0,0]=4 275 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 AK-33182 [1,1,0,0,0,0|2,0,0]=4 276 B14R2.2332 FC1=CC2=C(C=C1)N=C(C=O)C=C2 AK-55173 [1,1,0,0,0,0|1,0,0]=3 277 B14R2.2332 NC1=CC2=CC=C(OC)C=C2N=C1 AK-37578 [1,1,0,0,0,0|2,0,0]=4 278 B14R2.2332 O=CC1=CC=C2C=C(O)C=CC2=C1 AK-23863 [1,1,0,0,0,0|0,0,0]=2 279 B14R2.2332 O=CC1=CC=C2N=C(C)C=CC2=C1 AK-26648 [1,1,0,0,0,0|1,0,0]=3 280 B14R2.2332 O=CC1=CC=C2N=C(Cl)C=CC2=C1 AK126196 [1,1,0,0,0,0|1,0,0]=3 281 B14R2.2332 OCC1=CC2=C(C=C1)C=C(Br)C=C2 AK-41145 [1,1,0,0,0,0|0,0,2]=4 282 B14R2.95 COC(=O)C1=N[NH]C2=CC=CC=C12 AK-25967 [0,1,0,0,1,0|2,0,0]=4 283 B14R2.95 O=C(C1=CNC2=C1C=CC=C2)NN AK-39844 [0,1,0,0,1,0|2,0,0]=4 284 B14R2.95 O=C(C1=CNC2=C1C=CC=C2)OC AK-47146 [0,1,0,0,1,0|1,0,0]=3 285 B14R2.95 O=C(C1=CNC2=C1C=CN=C2)OC AK-68420 [0,1,0,0,1,0|2,0,0]=4 286 B14R2.95 O=C(C1=CNC2=C1C=NC=C2)OC AK134703 [0,1,0,0,1,0|2,0,0]=4 287 B14R2.95 O=C(C1=CNC2=CC=CN=C21)OC AK-68305 [0,1,0,0,1,0|2,0,0]=4 288 B14R2.95 O=C(C1=CNC2=NC=CC=C21)OC AK-53944 [0,1,0,0,1,0|2,0,0]=4 289 B14R2.95 O=C(C1=CSC2=CC=CC=C21)CBr AK-78534 [0,1,0,0,1,0|1,0,0]=3 290 B14R2.300 BrC1=CC=C2C(=C1)[NH]C=C2C(=O)O AK-23997 [0,1,0,0,1,0|2,0,0]=4 291 B14R2.300 CC1=CC=C2C(=C1)[NH]C=C2C(=O)O AK-34066 [0,1,0,0,1,0|2,0,0]=4 292 B14R2.300 ClC1=CC=C2[N](N=CC2=C1)C(C)=O AK-32218 [0,1,0,0,1,0|2,0,0]=4 293 B14R2.300 O=C(C1=CNC2=C1C=CC(Cl)=C2)O AK-36329 [0,1,0,0,1,0|2,0,0]=4 294 B14R2.300 O=C(C1=CNC2=C1C=CC(F)=C2)O AK-26640 [0,1,0,0,1,0|2,0,0]=4 295 B14R2.642 CC(C1=C(C)N=C2C=CC=CN21)=O AK-26880 [0,1,0,0,1,0|2,0,0]=4 296 B14R2.5816 C1=C(C(O)=O)C2=CC(=CC=C2[NH]1)Br AK-26641 [0,1,0,0,1,0|2,0,0]=4 297 B14R2.5816 CC(C1=CNC2=C1C=C(Cl)C=C2)=O AK-76777 [0,1,0,0,1,0|1,0,0]=3 298 B14R2.5816 CC(C1=CNC2=NC=C(Br)C=C21)=O AK131337 [0,1,0,0,1,0|2,0,0]=4 299 B14R2.5816 CC(C1=NNC2=C1C=C(Br)C=C2)=O AK173323 [0,1,0,0,1,0|2,0,0]=4 300 B14R2.5816 O=C(C1=CNC2=C1C=C(C)C=C2)O AK-32686 [0,1,0,0,1,0|2,0,0]=4 301 B14R2.5816 O=C(C1=CNC2=C1C=C(Cl)C=C2)O AK-49040 [0,1,0,0,1,0|2,0,0]=4 302 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2Br AK-82259 [0,1,0,0,1,0|1,0,0]=3 303 B14R2.8032 CC1=C2[NH]C=C(C2=CC=C1)C(=O)O AK-54788 [0,1,0,0,1,0|2,0,0]=4 304 B14R2.8032 OC(=O)C1=CNC2=C1C=CC=C2F AK-79530 [0,1,0,0,1,0|2,0,0]=4 305 B14R2.8053 O=C(C1=CNC2=C1C(C)=CC=C2)O AK112026 [0,1,0,0,1,0|2,0,0]=4 306 B14R2.8053 O=C(C1=CNC2=C1C(Cl)=CC=C2)O AK-73047 [0,1,0,0,1,0|2,0,0]=4 307 B14R2.25733 BrC1=CN(C(C)=O)C2=C1C=CC=C2 AK209689 [0,1,0,0,1,0|1,0,0]=3 308 B14R2.25733 CC(C1=NN(C)C2=C1C=CC=C2)=O AK-79270 [0,1,0,0,1,0|2,0,0]=4 309 B14R2.25733 CN1C=C(C(C)=O)C2=C1C=CC=C2 AK208739 [0,1,0,0,1,0|1,0,0]=3 310 B14R2.25733 O=C(C1=CN(C)C2=C1C=CC=C2)O AK-47525 [0,1,0,0,1,0|2,0,0]=4 311 B14R2.25733 O=C1CN(C(C)=O)C2=C1C=CC=C2 AK-60518 [0,1,0,0,1,0|1,0,1]=4 312 B14R2.601 O=C(C1=CC2=C(C=C1)C=C(C)N2)O AK-64262 [0,1,0,0,1,0|2,0,0]=4 313 B14R2.601 O=C(C1=CC2=C(NC(C)=C2)C=C1)O AK166915 [0,1,0,0,1,0|2,0,0]=4 314 B14R2.601 O=C1NC2=C(C=C(C(C)=O)C=C2)C1 AK115958 [0,1,0,0,1,0|1,0,1]=4 315 B14R2.624 O=C(C1=C(F)C=C2C=COC2=C1)O AK554600 [0,1,0,0,1,0|2,0,0]=4 316 B14R2.624 OC(=O)C1=CC2=C(NC=C2)C=C1Cl AK109679 [0,1,0,0,1,0|2,0,0]=4 317 B14R2.966 C1=C2C=C(C=C[N]2C=C1)C(=O)OC AK-30443 [0,1,0,0,1,0|1,0,0]=3 318 B14R2.966 COC(=O)C1=CC2=C(NC=C2)C=C1 AK-45248 [0,1,0,0,1,0|1,0,0]=3 319 B14R2.966 COC(=O)C1=CC2=C(OC=N2)C=C1 AK-70291 [0,1,0,0,1,0|2,0,0]=4 320 B14R2.966 COC(=O)C1=CC2=NC=CN2C=C1 AK-65285 [0,1,0,0,1,0|2,0,0]=4 321 B14R2.966 COC(=O)C1=CC=C2C=CNC2=N1 AK100048 [0,1,0,0,1,0|2,0,0]=4 322 B14R2.966 N1=C[NH]C2=C1C=CC(=C2)C(=O)OC AK-47426 [0,1,0,0,1,0|2,0,0]=4 323 B14R2.966 O=C(C1=CC2=C(C=C1)C=CN2)OC AK-25191 [0,1,0,0,1,0|1,0,0]=3 324 B14R2.966 O=C(C1=CC2=C(C=C1)C=NN2)OC AK-33654 [0,1,0,0,1,0|2,0,0]=4 325 B14R2.966 O=C(C1=CC2=C(NC=C2)C=N1)OC AK-94003 [0,1,0,0,1,0|2,0,0]=4 326 B14R2.966 O=C(C1=CC2=C(NN=C2)C=C1)OC AK-35273 [0,1,0,0,1,0|2,0,0]=4 327 B14R2.966 O=C(C1=CC=2NC=CC2C=N1)OC AK-59606 [0,1,0,0,1,0|2,0,0]=4 328 B14R2.966 O=C(C1=CC=C2NC=CC2=N1)OC AK-59584 [0,1,0,0,1,0|2,0,0]=4 329 B14R2.966 O=C(C1=CN=C2NC=CC2=C1)OC AK-48540 [0,1,0,0,1,0|2,0,0]=4 330 B14R2.5719 CN1N=CC2=CC(=CC=C12)C(C)=O AK-79822 [0,1,0,0,1,0|2,0,0]=4 331 B14R2.5998 OC(=O)C1=C(F)C2=C(C=CN2)C=C1 AK-82249 [0,1,0,0,1,0|2,0,0]=4 332 B14R2.8824 O=C(C1=CC2=C(C(C)=C1)C=CN2)O AK339277 [0,1,0,0,1,0|2,0,0]=4 333 B14R2.24358 CC1=CNC2=C1C=C(C=C2)C(O)=O AK-65191 [0,1,0,0,1,0|2,0,0]=4 334 B14R2.24358 O=C(C1=CC2=C(NC=C2Br)C=C1)O AK208622 [0,1,0,0,1,0|2,0,0]=4 335 B14R2.450 C1=CC=CC2=C1[N](C)C(=C2)C(O)=O AK-29896 [0,1,0,0,1,0|2,0,0]=4 336 B14R2.450 O=C(C1=C(Cl)C2=CC=CC=C2O1)O AK151086 [0,1,0,0,1,0|2,0,0]=4 337 B14R2.972 C1=CC=C2C(=C1)C=C(C(C=O)=O)S2 AK-10032 [0,1,0,0,1,0|1,0,1]=4 338 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 AK-68474 [0,1,0,0,1,0|2,0,0]=4 339 B14R2.972 O1C2=C(C=C1C(C=O)=O)C=CC=C2 AK-10030 [0,1,0,0,1,0|1,0,1]=4 340 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC AK-86776 [0,1,0,0,1,0|2,0,0]=4 341 B14R2.972 O=C(C1=NC2=CC=CC=C2O1)OC AK-31638 [0,1,0,0,1,0|2,0,0]=4 342 B14R2.972 O=C(C=1NC2=C(C1)C=CC=C2)OC AK-81488 [0,1,0,0,1,0|1,0,0]=3 343 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Br)O AK-36225 [0,1,0,0,1,0|2,0,0]=4 344 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O AK-40726 [0,1,0,0,1,0|2,0,0]=4 345 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Cl)O AK-28711 [0,1,0,0,1,0|2,0,0]=4 346 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)Br)O AK-27258 [0,1,0,0,1,0|2,0,0]=4 347 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)C)O AK-77187 [0,1,0,0,1,0|2,0,0]=4 348 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)F)O AK-34615 [0,1,0,0,1,0|2,0,0]=4 349 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O AK-44665 [0,1,0,0,1,0|2,0,0]=4 350 B14R2.4529 OC(=O)C1=CC2=C(O1)C=CC(O)=C2 AK-48342 [0,1,0,0,1,0|2,0,0]=4 351 B14R2.7969 BrC1=C2[NH]C(=CC2=CC=C1)C(=O)O AK-23872 [0,1,0,0,1,0|2,0,0]=4 352 B14R2.7969 C1=C(SC2=C(Cl)C=CC=C12)C(=O)O AK-46599 [0,1,0,0,1,0|2,0,0]=4 353 B14R2.7969 O=C(C1=CC2=C(Br)C=CC=C2S1)O AK134990 [0,1,0,0,1,0|2,0,0]=4 354 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)Br)O AK-23743 [0,1,0,0,1,0|2,0,0]=4 355 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)C)O AK-33829 [0,1,0,0,1,0|2,0,0]=4 356 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O AK-35026 [0,1,0,0,1,0|2,0,0]=4 357 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O AK-35025 [0,1,0,0,1,0|2,0,0]=4 358 B16R2.5347 O=C(OC)CC1=CC=C2N=CC=CC2=C1 AK-39722 [0,1,0,0,0,1|1,0,0]=3 359 B16R2.6284 O=C(O)[C@H](N)C1=CC=C2C=CC=CC2=C1 AK608025 [0,1,0,0,0,1|1,0,0]=3 360 B16R2.83538 O=C(O)CN1C=CC2=C(C=CC=C2)C1=O AK136802 [0,1,0,0,0,1|2,0,0]=4 361 B16R2.1229 O=C(C1=CC=C2C=CC=NC2=C1C)OC AK117598 [0,2,0,0,0,0|1,0,0]=3 362 B16R2.12044 FC1=CC=C2N=CC(=C(C2=C1)O)C(=O)O AK-46518 [0,2,0,0,0,0|2,0,0]=4 363 B16R2.12044 O=C(C1=C(O)C2=CC(Br)=CC=C2N=C1)O AK-29645 [0,2,0,0,0,0|2,0,0]=4 364 B16R2.23331 NC1=C2C=CC=CC2=C(Br)C=C1[N+]([O-])=O AK123109 [0,2,0,0,0,0|2,0,0]=4 365 B16R2.23372 CC(=O)C1C(=O)N=C2C=CC=CC2=C1O AK-55034 [0,2,0,0,0,0|1,0,1]=4 366 B16R2.23372 O=C(O)C1=C(O)C=C2C=CC=CC2=C1O AK-86675 [0,2,0,0,0,0|1,0,0]=3 367 B16R2.133456 O=C(C1=C(O)C2=CC=C(Br)C=C2N=C1)O AK-28684 [0,2,0,0,0,0|2,0,0]=4 368 B16R2.23520 OC(=O)C1=CC2=CC=C(O)C=C2OC1=O AK-86871 [0,2,0,0,0,0|2,0,0]=4 369 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(Br)=CC2=C1 AK-31907 [0,2,0,0,0,0|1,0,0]=3 370 B16R2.23521 OC(=O)C1=CC2=C(C=CC(O)=C2)C=C1O AK-86917 [0,2,0,0,0,0|1,0,0]=3 371 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)N=C1N AK100934 [0,2,0,0,0,0|1,0,0]=3 372 B16R2.767 C1=CC2=NC=CC=C2C=C1C(OCC)=O AK-39579 [0,2,0,0,0,0|1,0,0]=3 373 B16R2.767 C1=NC(=CC2=CC=CC=C12)C(=O)OCC AK-24629 [0,2,0,0,0,0|1,0,0]=3 374 B16R2.767 CCOC(=O)C1=CC2=C(C=CN=C2)C=C1 AK100920 [0,2,0,0,0,0|1,0,0]=3 375 B16R2.767 CCOC(=O)C1=NC2=C(C=CC=C2)C=C1 AK-99966 [0,2,0,0,0,0|1,0,0]=3 376 B16R2.767 O=C(C1=CC2=C(C=NC=C2)C=C1)OCC AK-76194 [0,2,0,0,0,0|1,0,0]=3 377 B16R2.767 O=C(C1=CC=C2N=CC=NC2=C1)OCC AK143367 [0,2,0,0,0,0|2,0,0]=4 378 B16R2.1205 O=C(C1=CC2=CC(Br)=CC=C2N=C1)OC AK138119 [0,2,0,0,0,0|1,0,0]=3 379 B16R2.1205 O=C(OC)C1=CC=C2C=CC(O)=CC2=C1 AK151546 [0,2,0,0,0,0|0,0,0]=2 380 B16R2.1212 O=C(C1=CC=C2N=CC=C(Cl)C2=C1)OC AK163974 [0,2,0,0,0,0|1,0,0]=3 381 B16R2.33799 O=C(C1=CC2=CC=C(Br)C=C2N=C1)OC AK138037 [0,2,0,0,0,0|1,0,0]=3 382 B16R2.33799 O=C(C1=CC2=CC=C(Cl)N=C2C=C1)OC AK-72827 [0,2,0,0,0,0|1,0,0]=3 383 B16R2.33799 O=C(C1=CC=C2N=C(C)C=CC2=C1)OC AK128272 [0,2,0,0,0,0|1,0,0]=3 384 B16R2.33799 O=C(NC)C1=CC=C2C=C(Br)C=CC2=C1 AK-86964 [0,2,0,0,0,0|0,0,0]=2 385 B16R2.33799 O=C(OC)C1=CC=C2C=C(Br)C=CC2=C1 AK-86846 [0,2,0,0,0,0|0,0,0]=2 386 B16R2.33799 O=C(OC)C1=CC=C2C=C(O)C=CC2=C1 AK-62924 [0,2,0,0,0,0|0,0,0]=2 387 B16R2.33887 OC1=CC(=NC2=CC=CC=C12)C(=O)OC AK-49110 [0,2,0,0,0,0|1,0,0]=3 388 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=O)C=CN2 AK-76222 [0,2,0,0,0,0|1,0,0]=3 389 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(Cl)=CC=N2 AK-76220 [0,2,0,0,0,0|1,0,0]=3 390 B16R2.173132 O=C(C1=CC=2N=CNC(C2C=C1)=O)OC AK-47059 [0,2,0,0,0,0|2,0,0]=4 391 B16R2.173132 O=C(C1=NC2=CC=CC(Br)=C2C=C1)OC AK-76595 [0,2,0,0,0,0|1,0,0]=3 392 B16R2.173132 O=C(OC)C1=CC=C2C(Br)=CC=CC2=C1 AK174815 [0,2,0,0,0,0|0,0,0]=2 393 B16R2.11987 O=S(C1=CC=C2C=C(O)C=CC2=C1)([O-])=O AK-41348 [0,2,0,0,0,0|2,0,0]=4 394 B16R2.133406 O=C(C1=CC(C2=C(O1)C=C(F)C=C2)=O)O AK-32155 [0,2,0,0,0,0|2,0,0]=4 395 B16R2.7486 C1=C2C(=CC=C1C(C)=O)C=C(OC)C=C2 AK-34972 [0,2,0,0,0,0|0,0,0]=2 396 B16R2.7486 O=CC1=CC=C2C=C(N(C)C)C=CC2=C1 AK-62543 [0,2,0,0,0,0|2,0,0]=4 397 B16R2.11989 O=C(C1=CC2=CC=C(F)C(F)=C2N=C1)O AK174502 [0,2,0,0,0,0|2,0,0]=4 398 B14R2.31359 C1=CC=CC2=CC=NC(=C12)C(O)=O AK-26020 [0,0,1,1,0,0|2,0,0]=4 399 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 AK-68520 [0,0,1,1,0,0|1,0,0]=3 400 B14R2.31359 CC(C1=C2C=CC=CC2=CC=C1)=O AK-48609 [0,0,1,1,0,0|0,0,0]=2 401 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 AK-48247 [0,0,1,1,0,0|1,0,1]=4 402 B14R2.31359 N[C@@H](C1=C2C=CC=CC2=CC=C1)C AK-49126 [0,0,1,1,0,0|1,0,1]=4 403 B14R2.31359 N[C@H](C1=C2C=CC=CC2=CC=C1)C AK-32722 [0,0,1,1,0,0|1,0,1]=4 404 B14R2.31359 O=C(C1=C2C=CC=NC2=CC=C1)O AK-29472 [0,0,1,1,0,0|2,0,0]=4 405 B14R2.31359 O=C(C1=C2N=CC=CC2=CC=C1)O AK-27232 [0,0,1,1,0,0|2,0,0]=4 406 B14R2.31359 O=C(C1=CC=CC2=C1C=CN=C2)O AK-25697 [0,0,1,1,0,0|2,0,0]=4 407 B14R2.31359 O=C(C1=CC=CC2=C1C=NC=C2)O AK-26841 [0,0,1,1,0,0|2,0,0]=4 408 B14R2.31359 O=C(C1=CN=CC2=C1C=CC=C2)O AK-36198 [0,0,1,1,0,0|2,0,0]=4 409 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 AK-44123 [0,0,1,1,0,0|1,0,0]=3 410 B16R3.335 CC1=NC2=C3C=CC=CC3=CC=C2S1 AK403344 [0,0,0,1,0,1|1,0,0]=3 411 B16R3.335 CC1=NC2=CC=C3C=CC=CC3=C2O1 AK112342 [0,0,0,1,0,1|0,0,1]=3 412 B12R2.1 C1=C(C2=C(N=CC=C2)[NH]1)C=O AK-24128 [1,0,0,0,1,0|2,0,0]=4 413 B12R2.1 C1=C(C2=C(S1)C=CC=C2)C=O AK-27012 [1,0,0,0,1,0|1,0,0]=3 414 B12R2.1 O=CC1=C2C=CC=CN2C=N1 AK-49925 [1,0,0,0,1,0|2,0,0]=4 415 B12R2.1 O=CC1=CN=C2C=CC=CN12 AK-44714 [1,0,0,0,1,0|2,0,0]=4 416 B12R2.1 O=CC1=CNC2=C1C=CC=C2 AK-49824 [1,0,0,0,1,0|1,0,0]=3 417 B12R2.1 O=CC1=CNC2=C1C=CN=C2 AK-68309 [1,0,0,0,1,0|2,0,0]=4 418 B12R2.1 O=CC1=CNC2=C1C=NC=C2 AK-41565 [1,0,0,0,1,0|2,0,0]=4 419 B12R2.1 O=CC1=CNC2=CC=CN=C21 AK-40504 [1,0,0,0,1,0|2,0,0]=4 420 B12R2.1 O=CC1=COC2=C1C=CC=C2 AK-35267 [1,0,0,0,1,0|1,0,0]=3 421 B12R2.1 O=CC1=NNC2=C1C=CC=C2 AK-45326 [1,0,0,0,1,0|2,0,0]=4 422 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [1,0,0,0,1,0|1,0,1]=4 423 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [1,0,0,0,1,0|1,0,0]=3 424 B12R2.32 O=CC1=CC2=CC=CN=C2S1 AK298904 [1,0,0,0,1,0|2,0,0]=4 425 B12R2.32 O=CC1=NC2=CC=CC=C2N1 AK-25780 [1,0,0,0,1,0|2,0,0]=4 426 B12R2.32 O=CC1=NC2=CC=CC=C2S1 AK-30101 [1,0,0,0,1,0|2,0,0]=4 427 B12R2.32 S1C(=CC2=C1C=CC=C2)C=O AK-42941 [1,0,0,0,1,0|1,0,0]=3 428 B12R2.44 C1=C(C=C2C(=C1)C=C[NH]2)OC AK-16433 [1,0,0,0,1,0|2,0,0]=4 429 B12R2.44 COC1=CC2=C(NC=C2)C=C1 AK-45962 [1,0,0,0,1,0|2,0,0]=4 430 B12R2.44 COC1=CC=C2C=CCC2=C1 AK-99957 [1,0,0,0,1,0|1,0,1]=4 431 B12R2.44 COC1=CC=C2C=COC2=C1 AK103188 [1,0,0,0,1,0|2,0,0]=4 432 B12R2.44 O=CC1=CC2=C(C=C1)C=CN2 AK-45716 [1,0,0,0,1,0|1,0,0]=3 433 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 AK-99902 [1,0,0,0,1,0|2,0,0]=4 434 B12R2.44 O=CC1=CC2=C(NC=C2)C=C1 AK-45714 [1,0,0,0,1,0|1,0,0]=3 435 B12R2.44 O=CC1=CC2=C(NC=C2)C=N1 AK-89972 [1,0,0,0,1,0|2,0,0]=4 436 B12R2.44 O=CC1=CC2=C(NC=C2)N=C1 AK-79330 [1,0,0,0,1,0|2,0,0]=4 437 B12R2.44 O=CC1=CC2=C(NN=C2)C=C1 AK-34369 [1,0,0,0,1,0|2,0,0]=4 438 B12R2.44 O=CC1=CC2=C(OC=C2)C=N1 AK-43732 [1,0,0,0,1,0|2,0,0]=4 439 B12R2.44 O=CC1=CC=C2C=CSC2=C1 AK127851 [1,0,0,0,1,0|1,0,0]=3 440 B12R2.44 O=CC1=CC=C2N=CSC2=C1 AK-64307 [1,0,0,0,1,0|2,0,0]=4 441 B12R2.44 O=CC1=CC=C2OC=CC2=C1 AK-28461 [1,0,0,0,1,0|1,0,0]=3 442 B12R2.44 O=CC1=CC=C2SC=NC2=C1 AK-80151 [1,0,0,0,1,0|2,0,0]=4 443 B14R2.1008 CC(=O)NC1=CC=C2NC=CC2=C1 AK-80375 [0,0,0,0,1,1|1,0,0]=3 444 B14R2.1008 CC(NC1=CC2=C(NC=C2)C=N1)=O AK145576 [0,0,0,0,1,1|2,0,0]=4 445 B14R2.1008 OC(=O)CC1=CC2=C(C=CN2)C=C1 AK-78152 [0,0,0,0,1,1|2,0,0]=4