0 B14R2.8239 C1=C(Br)C=NC2=C1NC(=O)C(=O)N2 AK-24148 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.8239 O=C1C=CC2=C(O1)C=C(O)C(O)=C2 AK114506 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)NC1=O AK157312 [0,0,0,0,0,0|1,1,1]=3 3 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br AK-30563 [1,0,0,0,0,0|2,1,0]=4 4 B13R2.155 BrC1=CC=C2C(=C1)C=C(C=C2)O AK-25309 [1,0,0,0,0,0|1,1,0]=3 5 B13R2.155 C1=CC(=CC2=C1C=CC(O2)=O)O AK-26455 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.155 FC1=CC2=C(C=NC(Cl)=C2)C=C1 AK310526 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.155 FC1=CC=C2N=CC(Cl)=NC2=C1 AK119922 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.155 IC1=CC=C2N=CC(Br)=CC2=C1 AK127010 [1,0,0,0,0,0|1,1,1]=4 9 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 AK105869 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.155 O=C1NC2=C(C=CC(O)=C2)C=C1 AK-75874 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.155 OC1=CC2=C(C=C1)N=CC(Br)=C2 AK-89992 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 AK-43231 [1,0,0,0,0,0|0,1,1]=3 13 B13R2.155 OC1=CC2=CC(O)=CC=C2C=C1 AK-45590 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.155 OC1=CC=C2C=CC(N)=CC2=C1 AK470324 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 AK138167 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.155 OC1=NC2=CC(=CC=C2C=C1)O AK-26280 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 AK325416 [1,0,0,0,0,0|2,1,0]=4 18 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 AK-57803 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.369 BrC1=NC2=CC=CC=C2C=C1Br AK-39851 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 CC1=NC2=CC=CC=C2C=C1N AK-30794 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl AK-79092 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N AK-50115 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br AK-75962 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.369 O=C1NC2=C(C=CC=C2)CC1N AK-27578 [1,0,0,0,0,0|1,0,2]=4 26 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O AK-45516 [1,0,0,0,0,0|1,0,1]=3 27 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl AK-82046 [1,0,0,0,0,0|1,0,1]=3 28 B13R2.3683 BrC1=CC2=C(C=C1)C=C(Br)C=C2 AK-33188 [1,0,0,0,0,0|2,1,0]=4 29 B13R2.3683 BrC1=CC=C2NC(CCC2=C1)=O AK-27042 [1,0,0,0,0,0|0,1,2]=4 30 B13R2.3683 C1=C(Br)C=CC2=C1C=CC(O2)=O AK-26888 [1,0,0,0,0,0|1,1,0]=3 31 B13R2.3683 C1=C(C)C=CC2=C1C=CC(O2)=O AK-47577 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.3683 C1=C(C=CC2=C1C=CC(=C2)Br)O AK-46757 [1,0,0,0,0,0|1,1,1]=4 33 B13R2.3683 C1=C2C(=CC=C1Cl)NC(=O)C=N2 AK-23500 [1,0,0,0,0,0|1,1,0]=3 34 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 AK-34594 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 AK-27111 [1,0,0,0,0,0|1,0,1]=3 36 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 AK-26649 [1,0,0,0,0,0|1,1,1]=4 37 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 AK-39625 [1,0,0,0,0,0|1,1,1]=4 38 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 AK-27465 [1,0,0,0,0,0|1,1,1]=4 39 B13R2.3683 ClC1=NC2=CC=C(C=C2N=C1)F AK-24548 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.3683 FC1=CC=C2N=C(Cl)C=CC2=C1 AK-93820 [1,0,0,0,0,0|1,0,1]=3 41 B13R2.3683 FC1=CC=C2NC(C=NC2=C1)=O AK-24547 [1,0,0,0,0,0|1,0,0]=2 42 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK-36293 [1,0,0,0,0,0|2,1,0]=4 43 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 AK128775 [1,0,0,0,0,0|2,1,0]=4 44 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 AK128776 [1,0,0,0,0,0|2,0,0]=3 45 B13R2.3683 NC1=NC2=CC=C(F)C=C2C=C1 AK135326 [1,0,0,0,0,0|1,0,1]=3 46 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)C=C1 AK-27469 [1,0,0,0,0,0|0,1,0]=2 47 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CN1 AK-42603 [1,0,0,0,0,0|1,1,1]=4 48 B13R2.3683 O=C1NC2=C(C=C(Cl)C=N2)C=C1 AK-68313 [1,0,0,0,0,0|1,1,0]=3 49 B13R2.3683 O=C1NC2=C(C=C(N)C=C2)CC1 AK-92956 [1,0,0,0,0,0|1,0,2]=4 50 B13R2.3683 O=C1NC2=C(C=C(N)C=C2)N=C1 AK128588 [1,0,0,0,0,0|2,0,0]=3 51 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)C=C1 AK-33910 [1,0,0,0,0,0|1,0,0]=2 52 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)CC1 AK-75703 [1,0,0,0,0,0|1,0,2]=4 53 B13R2.3683 O=C1NC2=CC=C(Br)C=C2OC1 AK-31795 [1,0,0,0,0,0|1,1,1]=4 54 B13R2.3683 O=C1NC2=CC=C(Cl)C=C2OC1 AK-29067 [1,0,0,0,0,0|1,1,1]=4 55 B13R2.3683 O=C1NC2=CC=C(F)C=C2OC1 AK-30233 [1,0,0,0,0,0|1,0,1]=3 56 B13R2.3683 O=C1NC2=CC=C(I)C=C2OC1 AK-77082 [1,0,0,0,0,0|1,1,1]=4 57 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 AK-50622 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 AK-89425 [1,0,0,0,0,0|2,0,1]=4 59 B13R2.3683 OC1=NC2=CC=C(I)C=C2C=C1 AK-51648 [1,0,0,0,0,0|0,1,2]=4 60 B15R2.62227 O=C1NC2=C(C=C(F)C(F)=C2)NC1=O AK340569 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.133 O=C(O)C(NC1=NC=C(Cl)C=C1)=O AK171307 [0,0,1,0,0,0|2,1,0]=4 62 B13R2.3028 BrC1=CC2=C(NC(=O)C2=O)N=C1 AK-31151 [0,0,0,0,1,0|1,1,1]=4 63 B13R2.3028 C1=C(Cl)C=CC2=C1C(C(=O)N2)=O AK-28898 [0,0,0,0,1,0|0,1,1]=3 64 B13R2.3028 C1=C(F)C=CC2=C1C(C(=O)N2)=O AK-29255 [0,0,0,0,1,0|0,0,1]=2 65 B13R2.3028 CC1=C(C)C2=CC(F)=CC=C2N1 AK-78906 [0,0,0,0,1,0|2,0,0]=3 66 B13R2.3028 CC1=C(C)NC2=C1C=C(Br)C=C2 AK-49810 [0,0,0,0,1,0|2,1,0]=4 67 B13R2.3028 CC1=C(C)NC2=C1C=C(Cl)C=C2 AK-50295 [0,0,0,0,1,0|2,1,0]=4 68 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O AK-45956 [0,0,0,0,1,0|0,1,1]=3 69 B13R2.5190 C1=C(Br)C=CC2=C1NC(=O)C2=O AK-27181 [0,0,0,0,1,0|1,1,1]=4 70 B13R2.5190 C1=C(Cl)C=CC2=C1NC(=O)C2=O AK-30078 [0,0,0,0,1,0|1,1,1]=4 71 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 AK117249 [0,0,0,0,1,0|1,0,2]=4 72 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O AK-41871 [0,0,0,0,1,0|1,0,1]=3 73 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [1,0,1,0,0,0|2,0,0]=4 74 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [1,0,1,0,0,0|1,1,0]=4 75 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [1,0,1,0,0,0|1,1,0]=4 76 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [1,0,1,0,0,0|1,0,0]=3 77 B12R1.226 O=[N+](\C=C\C1=CC(F)=CC=C1)[O-] AK113142 [1,0,1,0,0,0|2,0,0]=4 78 B12R1.127 O=C(O)CC1=CC(F)=CC=C1Br AK-41072 [1,0,1,0,0,0|1,0,1]=4 79 B12R1.233 BrC1=C(C=CC(=C1)F)CC(=O)O AK-35843 [1,0,1,0,0,0|2,0,0]=4 80 B12R1.233 O=C(O)CC1=CC=C(F)C=C1C AK-37488 [1,0,1,0,0,0|1,0,1]=4 81 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl AK-33766 [1,0,1,0,0,0|2,0,0]=4 82 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AK-27162 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 C1=C(C=C2C(=C1)N=CC=C2)Cl AK-26786 [2,0,0,0,0,0|0,1,1]=4 84 B12R2.24 C1=C(F)C=CC2=C1C=CC=N2 AK-30337 [2,0,0,0,0,0|0,0,1]=3 85 B12R2.24 C1=C(O)C=CC2=NC=CC=C12 AK-26149 [2,0,0,0,0,0|1,0,1]=4 86 B12R2.24 C1=C2C(=CC=C1Br)C=CC=C2 AK-35732 [2,0,0,0,0,0|1,1,0]=4 87 B12R2.24 C1=C2C(=NC=C1Cl)C=CC=C2 AK-39638 [2,0,0,0,0,0|1,0,1]=4 88 B12R2.24 C1=C2C(=NC=C1O)C=CC=C2 AK-26151 [2,0,0,0,0,0|0,0,1]=3 89 B12R2.24 C1=CC2=C(N=C1N)C=CC=C2 AK-26798 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.24 C1=CC=C2C(=N1)C=CC(=C2)Br AK-26082 [2,0,0,0,0,0|0,1,1]=4 91 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [2,0,0,0,0,0|0,0,2]=4 92 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [2,0,0,0,0,0|1,0,1]=4 93 B12R2.24 C1=CC=CC2=CC=C(N=C12)Br AK-24234 [2,0,0,0,0,0|1,0,1]=4 94 B12R2.24 C1=CC=CC2=CC=C(N=C12)Cl AK-27768 [2,0,0,0,0,0|1,0,1]=4 95 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [2,0,0,0,0,0|1,0,1]=4 96 B12R2.24 FC1=CC2=C(C=CN=C2)C=C1 AK-54877 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.24 FC1=CC2=C(C=NC=C2)C=C1 AK-47714 [2,0,0,0,0,0|2,0,0]=4 98 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 AK110894 [2,0,0,0,0,0|1,1,0]=4 99 B12R2.24 IC1=CC=C2N=CC=CC2=C1 AK-28766 [2,0,0,0,0,0|0,1,1]=4 100 B12R2.24 N1=C2C=CC(NC2=NC=C1)=O AK-31206 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AK-29433 [2,0,0,0,0,0|1,0,1]=4 102 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [2,0,0,0,0,0|1,0,1]=4 103 B12R2.24 O=C1NC2=CC=CN=C2C=C1 AK-38086 [2,0,0,0,0,0|1,0,0]=3 104 B12R2.24 O=C1NC2=CN=CC=C2C=C1 AK-40195 [2,0,0,0,0,0|1,0,0]=3 105 B12R2.24 OC1=CC2=C(C=NC=C2)C=C1 AK-24368 [2,0,0,0,0,0|2,0,0]=4 106 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AK-24768 [2,0,0,0,0,0|2,0,0]=4 107 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [2,0,0,0,0,0|0,0,2]=4 108 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AK-28738 [2,0,0,0,0,0|1,0,1]=4 109 B14R2.134 N#CC1=CC=C2C=CC(O)=CC2=C1 AK-57326 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.8188 O=C1C(O)=C(C)NC2=C1C=CC=C2 AK-94309 [1,1,0,0,0,0|1,0,0]=3 111 B14R2.8188 O=C1NC2=C(C=CC=C2)C(O)=C1C AK152649 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.2332 FC1=CC2=C(C=C1)N=C(C=O)C=C2 AK-55173 [1,1,0,0,0,0|0,0,1]=3 113 B14R2.2332 O=CC1=CC=C2C=C(O)C=CC2=C1 AK-23863 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.8235 BrC1=CC=C2NC(NC(C2=C1)=O)=O AK-27993 [1,1,0,0,0,0|1,1,0]=4 115 B14R2.8235 C1=C(C=CC2=C1C(=O)C=C(O)N2)C AK-28862 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.8235 CC1=CC=C2NC(=O)NC(=O)C2=C1 AK-79552 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.8235 FC1=C2N=C(Cl)C=CC2=CC(F)=C1 AK158435 [1,1,0,0,0,0|1,0,1]=4 118 B14R2.8235 FC1=CC2=C(NC(=O)OC2=O)C=C1 AK-41630 [1,1,0,0,0,0|1,0,0]=3 119 B14R2.8235 FC1=CC=C2N=C(Cl)C=C(Cl)C2=C1 AK-25940 [1,1,0,0,0,0|1,0,1]=4 120 B14R2.8235 O=C1NC(C2=C(N1)C=CC(=C2)Cl)=O AK-32474 [1,1,0,0,0,0|1,1,0]=4 121 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(O)=C1 AK-86811 [1,1,0,0,0,0|0,1,0]=3 122 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(C)=C1 AK-77077 [1,1,0,0,0,0|0,1,0]=3 123 B14R2.645 BrC1=C(Br)C=C2C(=O)C(=O)NC2=C1 AK100248 [0,1,0,0,1,0|0,1,1]=4 124 B14R2.645 O=C1NC2=C(C=C(Br)C(C)=C2)C1=O AK146251 [0,1,0,0,1,0|0,1,1]=4 125 B14R2.645 O=C1NC2=C(C=C(Cl)C(Br)=C2)C1=O AK108375 [0,1,0,0,1,0|0,1,1]=4 126 B14R2.645 O=C1NC2=C(C=C(Cl)C(Cl)=C2)C1=O AK-39245 [0,1,0,0,1,0|0,1,1]=4 127 B14R2.645 O=C1NC2=C(C=C(F)C(F)=C2)C1=O AK-36507 [0,1,0,0,1,0|0,0,1]=3 128 B14R2.3274 C1=C2C(=CC=C1OC)NC(C2=O)=O AK-48222 [0,1,0,0,1,0|1,0,1]=4 129 B14R2.4506 CC1=CC=C2NC(=O)C(=O)C2=C1Br AK-81498 [0,1,0,0,1,0|1,0,1]=4 130 B14R2.4506 O=C1NC2=C(C(Cl)=C(F)C=C2)C1=O AK431521 [0,1,0,0,1,0|0,0,1]=3 131 B14R2.8716 O=C1N(C)C2=C(C=C(Br)C=C2)C1=O AK121568 [0,1,0,0,1,0|0,1,1]=4 132 B14R2.8716 O=C1N(C)C2=C(C=C(Cl)C=C2)C1=O AK118308 [0,1,0,0,1,0|0,1,1]=4 133 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 AK-87883 [0,1,0,0,1,0|0,1,1]=4 134 B14R2.9184 O=C1NC2=C(C=C(C)C=C2C)C1=O AK-89762 [0,1,0,0,1,0|1,0,1]=4 135 B14R2.9184 O=C1NC2=C(C=C(F)C=C2Br)C1=O AK115253 [0,1,0,0,1,0|0,0,1]=3 136 B14R2.27750 O=C1NC2=C(C(F)=CC(F)=C2)C1=O AK-39901 [0,1,0,0,1,0|1,0,1]=4 137 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O AK-35025 [0,0,1,1,0,0|2,0,0]=4 138 B12R2.132 BrC1=CC=C2[NH]N=C(C2=C1)O AK-39254 [1,0,0,0,1,0|1,1,0]=4 139 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 AK-87674 [1,0,0,0,1,0|1,1,0]=4 140 B12R2.132 FC1=CC=C2[NH]N=C(C2=C1)I AK-23832 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.132 OC1=CC2=C(NC=C2C)C=C1 AK-49261 [1,0,0,0,1,0|2,0,0]=4 142 B12R2.606 C1=C([NH]C2=CC=C(C=C12)C)C AK-32967 [1,0,0,0,1,0|2,0,0]=4 143 B12R2.606 CC1=CC2=C(N1)C=C(F)C=C2 AK-82140 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.606 CC1=NC2=C(N1)C=CC(F)=C2 AK-88922 [1,0,0,0,1,0|2,0,0]=4 145 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Br AK-25283 [1,0,0,0,1,0|1,1,0]=4 146 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Cl AK-32804 [1,0,0,0,1,0|1,1,0]=4 147 B12R2.606 FC1=CC=C2C(N=C(Cl)N2)=C1 AK-32821 [1,0,0,0,1,0|2,0,0]=4 148 B12R2.606 FC1=CC=C2NC(=O)SC2=C1 AK-30083 [1,0,0,0,1,0|1,0,1]=4 149 B12R2.606 FC1=CC=C2[NH]C(=CC2=C1)C AK-26800 [1,0,0,0,1,0|1,0,0]=3 150 B12R2.606 O=C1NC2=C(C=C(F)C=C2)C1 AK-23028 [1,0,0,0,1,0|0,0,2]=4 151 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 AK-22224 [1,0,0,0,1,0|1,0,1]=4 152 B12R2.606 S=C1NC2=CC=C(F)C=C2N1 AK109690 [1,0,0,0,1,0|1,1,0]=4 153 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [1,0,0,0,1,0|0,0,2]=4 154 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [1,0,0,0,1,0|0,0,1]=3 155 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AK-24554 [1,0,0,0,1,0|1,0,1]=4 156 B12R2.612 FC1=CC=C2C(=O)NOC2=C1 AK100150 [1,0,0,0,1,0|2,0,0]=4 157 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [1,0,0,0,1,0|0,0,2]=4 158 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 AK-99888 [1,0,0,0,1,0|2,0,0]=4 159 B12R2.612 O=C1NSC2=CC(F)=CC=C12 AK126238 [1,0,0,0,1,0|2,0,0]=4 160 B12R2.612 OC1=CC2=C(C=C1)C(=O)N=C2 AK-64733 [1,0,0,0,1,0|2,0,0]=4