0 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,0|1,0,0]=1 13 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,0,0,0|2,1,1]=4 21 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,0,0,0|1,1,2]=4 22 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,0,0,0|1,1,0]=2 23 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,0,0,0,0,0|1,1,0]=2 24 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,0,0,0,0|2,1,0]=3 25 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,0,0,0|1,0,3]=4 26 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,0,0,0|2,0,2]=4 27 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,0,0,0|2,0,2]=4 28 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,0|1,0,0]=2 29 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,0,0,0|1,0,0]=2 30 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,0,0,0|2,0,1]=4 33 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,0,0,0|1,0,1]=3 36 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,0,0,0|1,0,0]=2 37 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.32 CC1=[N+](C2=C(C=CC=C2)N=C1)[O-] PH008273 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,1,0,0,0,0|1,0,1]=3 43 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,1,0,0,0,0|1,0,0]=2 48 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,1,0,0,0,0|1,0,0]=2 49 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.32 NC1=CN=C2C=CC=NC2=C1I ADE000871 [0,1,0,0,0,0|3,0,0]=4 51 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,0,0,0|1,1,0]=3 52 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.32 OC1=C(C=NC2=CC=CN=C12)Br T316318 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.32 OC1=CN=C2C=CC=NC2=C1I ADE000865 [0,1,0,0,0,0|2,1,0]=4 56 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,1,0,0,0,0|1,0,0]=2 57 B13R2.57 C#CC1=CC=C2N=CC=NC2=C1 CDS013627 [0,1,0,0,0,0|3,0,0]=4 58 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,1,0,0,0,0|1,1,0]=3 59 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,1,0,0,0,0|1,1,0]=3 61 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,1,0,0,0,0|1,1,0]=3 62 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [0,1,0,0,0,0|2,1,0]=4 63 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.57 N#CC1=CN=C2C=CC=NC2=C1 ADE000881 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,1,0,0,0,0|2,0,0]=3 67 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,1,0,0,0,0|1,1,0]=3 70 B13R2.57 O=CC1=CC2=C(C=CC=N2)N=C1 ADE000863 [0,1,0,0,0,0|2,1,0]=4 71 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,1,0,0,0,0|1,1,0]=3 72 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [0,1,0,0,0,0|2,1,0]=4 73 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [0,1,0,0,0,0|2,1,0]=4 74 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,1,0,0,0,0|1,1,0]=3 75 B13R2.57 OCC1=CN=C2C=CC=NC2=C1 ADE000879 [0,1,0,0,0,0|2,1,0]=4 76 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.155 ClC1=CC=C2C=CC(=NC2=N1)Cl PH000472 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,0,0,0|1,1,0]=3 84 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [0,1,0,0,0,0|2,1,0]=4 85 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,1,0,0,0,0|1,1,0]=3 86 B13R2.155 OC1=NC2=NC(=CC=C2C=C1)F ADE000840 [0,1,0,0,0,0|2,1,0]=4 87 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,0,0,0|2,0,0]=3 93 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,1,0,0,0,0|2,0,0]=3 94 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,1,0,0,0,0|2,0,0]=3 97 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,1,0,0,0,0|2,0,0]=3 98 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [0,1,0,0,0,0|2,1,0]=4 108 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,0,0,0|1,1,0]=3 109 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [0,1,0,0,0,0|3,0,0]=4 110 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,1,0,0,0,0|2,0,0]=3 113 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,1,0,0,0,0|2,0,1]=4 116 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,1,0,0,0,0|3,0,0]=4 121 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,0,0,0|1,1,0]=3 122 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,1,0,0,0,0|2,0,0]=3 124 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,0,0,0|1,1,0]=3 125 B13R2.328 NC1=CC2=C(C=CN=C2)C(=N1)Br S872938 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,0,0,0|1,1,0]=3 131 B13R2.328 O=C1C=C(N=C2N1C=CC=C2)Cl R795666 [0,1,0,0,0,0|3,0,0]=4 132 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [0,1,0,0,0,0|2,1,0]=4 133 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,0,0,0|1,1,0]=3 135 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,0,0,0|3,0,0]=4 136 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,1,0,0,0,0|1,0,0]=2 137 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,0,0,0|1,1,0]=3 140 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,1,0,0,0,0|2,1,0]=4 142 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,1,0,0,0,0|2,1,0]=4 143 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,1,0,0,0,0|1,1,0]=3 144 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [0,1,0,0,0,0|2,0,1]=4 145 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,0,0,0|2,1,0]=4 147 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,1,0,0,0,0|1,0,0]=2 148 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,1,0,0,0,0|3,0,0]=4 150 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.3683 CC1=NC2=NC=C(C=C2C=C1)F ADE000849 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,1,0,0,0,0|1,0,0]=2 153 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,1,0,0,0,0|3,0,0]=4 154 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,1,0,0,0,0|0,1,0]=2 155 B13R2.3683 NC1=CC=C2C=C(C=NC2=N1)Br CDS019239 [0,1,0,0,0,0|3,0,0]=4 156 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,1,0,0,0,0|1,1,0]=3 157 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,1,0,0,0,0|1,1,0]=3 158 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,1,0,0,0,0|2,0,0]=3 159 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,1,0,0,0,0|2,0,0]=3 161 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,1,0,0,0,0|1,1,0]=3 162 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,1,0,0,0,0|1,1,0]=3 163 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,1,0,0,0,0|1,1,0]=3 164 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,1,0,0,0,0|1,1,0]=3 165 B13R2.3683 OC1=NC2=NC=C(C=C2C=C1)Br ADE000844 [0,1,0,0,0,0|2,1,0]=4 166 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,1,0,0,0,0|3,0,0]=4 167 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,1,0,0,0,0|3,0,0]=4 169 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,0,0,0|2,0,0]=3 170 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.5179 ClC1=CC2=C(C=C1)C(=NC=N2)Cl S671487 [0,1,0,0,0,0|3,0,0]=4 173 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [0,1,0,0,0,0|2,0,0]=3 174 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,1,0,0,0,0|2,0,0]=3 175 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,0,0,0|0,1,0]=2 179 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,0,0,0|1,0,0]=2 180 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,0,0,0|2,0,0]=3 181 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,1,0,0,0,0|2,0,0]=3 182 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,1,0,0,0,0|2,0,0]=3 185 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [0,1,0,0,0,0|3,0,0]=4 186 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,1,0,0,0,0|2,0,0]=3 187 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,1,0,0,0,0|2,0,0]=3 188 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,0,1,0,0,0|2,0,1]=4 190 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,0,1,0,0,0|2,0,1]=4 191 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,0,1,0,0,0|2,0,1]=4 192 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [0,0,1,0,0,0|2,0,1]=4 193 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,0,1,0,0,0|2,0,1]=4 194 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,0,1,0,0,0|2,0,1]=4 195 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,0,1,0,0,0|2,0,1]=4 196 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,1,0,0,0|2,0,0]=3 197 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,1,0,0,0|2,0,1]=4 198 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,1,0,0,0|1,1,0]=3 199 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,1,0,0,0|2,0,1]=4 200 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,1,0,0,0|2,0,1]=4 201 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,1,0,0,0|2,0,1]=4 202 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,1,0,0,0|2,0,1]=4 203 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,1,0,0,0|3,0,0]=4 204 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,1,0,0,0|1,1,0]=3 205 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,1,0,0,0|2,1,0]=4 206 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,1,0,0,0|2,1,0]=4 207 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,1,0,0,0|1,1,0]=3 208 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,1,0,0,0|1,1,0]=3 209 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,0,1,0,0,0|2,0,1]=4 210 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,0,1,0|2,0,0]=3 211 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,0,0,0,1,0|3,0,0]=4 212 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,0,1,0|3,0,0]=4 213 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,0,1,0|3,0,0]=4 214 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,0,1,0|3,0,0]=4 215 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,0,1,0|3,0,0]=4 216 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,0,1,0|3,0,0]=4 217 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,0,1,0|3,0,0]=4 218 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,0,1,0|3,0,0]=4 219 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,0,1,0|3,0,0]=4 220 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,0,1,0|1,1,1]=4 221 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,0,1,0|2,1,0]=4 222 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,0,1,0|1,0,0]=2 223 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,0,0,0,1,0|2,1,0]=4 224 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,0,1,0|3,0,0]=4 225 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,0,1,0|2,0,1]=4 226 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,0,1,0|2,0,1]=4 227 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,0,1,0|2,0,1]=4 228 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,0,1,0|0,0,3]=4 229 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,0,0,0,1,0|2,0,1]=4 230 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,0,0,0,1,0|3,0,0]=4 231 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [0,0,0,0,1,0|3,0,0]=4 232 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,0,0,0,1,0|3,0,0]=4 233 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,0,0,0,1,0|3,0,0]=4 234 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,0,0,0,1,0|3,0,0]=4 235 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,0,0,0,1,0|3,0,0]=4 236 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,0,0,0,1,0|2,0,0]=3 237 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [0,0,0,0,1,0|3,0,0]=4 238 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,0,0,0,1,0|3,0,0]=4 239 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,0,0,0,1,0|3,0,0]=4 240 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,0,0,0,1,0|3,0,0]=4 241 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,0,0,0,1,0|3,0,0]=4 242 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,0,0,0,1,0|3,0,0]=4 243 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,0,1,0|3,0,0]=4 244 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,0,0,0,1,0|3,0,0]=4 245 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,0,0,0,1,0|3,0,0]=4 246 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,0,0,0,1,0|3,0,0]=4 247 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,0,0,0,1,0|3,0,0]=4 248 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,0,0,0,1,0|3,0,0]=4 249 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,0,0,0,1,0|3,0,0]=4 250 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [0,0,0,0,1,0|3,0,0]=4 251 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,0,0,0,1,0|3,0,0]=4 252 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [0,0,0,0,1,0|3,0,0]=4 253 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,0,0,0,1,0|3,0,0]=4 254 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,0,0,0,1,0|3,0,0]=4 255 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,0,0,0,1,0|3,0,0]=4 256 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [0,0,0,0,1,0|3,0,0]=4 257 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [0,0,0,0,1,0|3,0,0]=4 258 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,0,0,0,1,0|3,0,0]=4 259 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [0,0,0,0,1,0|3,0,0]=4 260 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,0,0,0,1,0|3,0,0]=4 261 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,0,0,0,1,0|3,0,0]=4 262 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [0,0,0,0,1,0|3,0,0]=4 263 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,0,0,0,1,0|3,0,0]=4 264 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,0,0,0,1,0|2,1,0]=4 265 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,0,0,0,1,0|2,1,0]=4 266 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,0,0,0,1,0|2,1,0]=4 267 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [0,0,0,0,1,0|2,1,0]=4 268 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,0,0,1|0,1,1]=3 269 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,0,0,0,0,1|0,1,0]=2 270 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,1,0,0,0|1,0,1]=4 273 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,1,0,0,0|1,0,1]=4 274 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,1,0,0,0|1,0,1]=4 275 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,1,0,0,0|1,0,1]=4 276 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,1,0,0,0|1,0,1]=4 277 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,0,1,0,0,0|0,1,1]=4 279 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,1,0,0,0|1,0,1]=4 280 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,1,1,0,0,0|1,0,1]=4 281 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,1,1,0,0,0|1,0,1]=4 282 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,1,0,0,0|0,1,1]=4 283 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,1,0,0,0|1,1,0]=4 287 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,1,0,0,0|1,1,0]=4 288 B12R1.1631 O=C/C=C/C1=C(C=CC=C1F)F CDS020168 [0,1,1,0,0,0|1,1,0]=4 289 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,1,0,0,0|2,0,0]=4 291 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,1,0,0,0|2,0,0]=4 292 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,1,0,0,0|2,0,0]=4 293 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,1,0,0,0|0,1,1]=4 294 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,1,0,0,0|0,1,1]=4 295 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,1,0,0,0|1,1,0]=4 296 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,1,0,0,0|1,1,0]=4 297 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [1,1,0,0,0,0|2,0,0]=4 298 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [1,1,0,0,0,0|1,0,0]=3 299 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [1,1,0,0,0,0|1,0,0]=3 300 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [1,1,0,0,0,0|1,0,0]=3 301 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [1,1,0,0,0,0|2,0,0]=4 302 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [1,1,0,0,0,0|1,0,0]=3 303 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [1,1,0,0,0,0|1,0,0]=3 304 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [1,1,0,0,0,0|2,0,0]=4 305 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [1,1,0,0,0,0|1,0,0]=3 306 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,1,0,0,0,0|0,0,0]=2 307 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [1,1,0,0,0,0|1,0,0]=3 308 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [1,1,0,0,0,0|1,0,0]=3 309 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [1,1,0,0,0,0|1,0,0]=3 310 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,1,0,0,0,0|1,0,0]=3 311 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [1,1,0,0,0,0|2,0,0]=4 312 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [1,1,0,0,0,0|0,0,2]=4 313 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [1,1,0,0,0,0|1,0,0]=3 314 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [1,1,0,0,0,0|1,0,0]=3 315 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [1,1,0,0,0,0|1,0,0]=3 316 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [1,1,0,0,0,0|1,0,0]=3 317 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,1,0,0,1,0|2,0,0]=4 318 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,0,1,0|2,0,0]=4 319 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,1,0,0,1,0|2,0,0]=4 320 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,0,1,0|1,1,0]=4 321 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,0,1,0|2,0,0]=4 322 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,1,0,0,1,0|2,0,0]=4 323 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,0,1,0|2,0,0]=4 324 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,1,0,0,1,0|2,0,0]=4 325 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,0,1,0|2,0,0]=4 326 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,0,1,0|2,0,0]=4 327 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,0,1,0|1,1,0]=4 328 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,0,1,0|1,1,0]=4 329 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [0,1,0,0,1,0|1,1,0]=4 330 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [0,1,0,0,1,0|1,1,0]=4 331 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,1,0,0,1,0|2,0,0]=4 332 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,1,0,0,1,0|2,0,0]=4 333 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,1,0,0,1,0|2,0,0]=4 334 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,1,0,0,1,0|2,0,0]=4 335 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,1,0,0,1,0|2,0,0]=4 336 B12R2.32 NSC1=NC2=C(S1)C=CC=C2 S492205 [0,1,0,0,1,0|2,0,0]=4 337 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,1,0,0,1,0|2,0,0]=4 338 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,0,1,0|2,0,0]=4 339 B12R2.202 FC1=C2N=C(SC2=CC=C1)S ANV00208 [0,1,0,0,1,0|2,0,0]=4 340 B12R2.202 FC1=CC=CC2=C1SC(=N2)S ANV00148 [0,1,0,0,1,0|2,0,0]=4 341 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,1,0,0,1,0|1,1,0]=4 342 B12R2.202 SC1=NC2=C(S1)C(=CC=C2)Cl ANV00145 [0,1,0,0,1,0|2,0,0]=4 343 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,1,0,0,1,0|2,0,0]=4 344 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,0,1,0|2,0,0]=4 345 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,0,1,0|2,0,0]=4 346 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,1,0,0,1,0|2,0,0]=4 347 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,1,0,0,1,0|1,1,0]=4 348 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,0,1,0|2,0,0]=4 349 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,1,0,0,1,0|2,0,0]=4 350 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,1,0,0,1,0|2,0,0]=4 351 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,1,0,0,1,0|1,1,0]=4 352 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,1,0,0,1,0|1,1,0]=4 353 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,1,0,0,1,0|1,1,0]=4 354 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,1,0,0,1,0|2,0,0]=4 355 B14R2.93 ON=C1C=CC2=CC=CC=C2C=C1 T176516 [0,1,0,0,0,1|0,1,0]=3 356 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,1,0,0,0,1|0,1,0]=3 357 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [0,1,0,0,0,1|2,0,0]=4 358 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [0,1,0,0,0,1|2,0,0]=4 359 B14R2.92 CCN1C=CC2=C(C1=S)C=CC=C2 L202746 [0,2,0,0,0,0|2,0,0]=4 360 B14R2.92 COC1=C(C2=C(C=C1)C=NC=C2)Br PH018816 [0,2,0,0,0,0|1,1,0]=4 361 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [0,2,0,0,0,0|0,1,0]=3 362 B14R2.92 O=C1C(=COC2=CC=CC=C12)CO PH007744 [0,2,0,0,0,0|1,1,0]=4 363 B14R2.92 O=CC1=C(C2=NC=CC=C2C=C1)O CDS023260 [0,2,0,0,0,0|1,1,0]=4 364 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [0,2,0,0,0,0|0,1,0]=3 365 B14R2.203 CCN1C(=O)C=CC2=C1C=CC=C2 S982296 [0,2,0,0,0,0|1,1,0]=4 366 B14R2.203 CC[N+]1=C(C=CC2=C1C=CC=C2)C S920290 [0,2,0,0,0,0|2,0,0]=4 367 B14R2.743 CC1(C(=O)C=CC2=C1C=CC=C2)O S956015 [0,2,0,0,0,0|0,1,1]=4 368 B14R2.4513 CC1=CC2=C(C=C1)OC=C(C2=O)Br JRD1474 [0,2,0,0,0,0|2,0,0]=4 369 B14R2.4513 CC1=CC=C2C=CC(=C(C2=N1)C)Br BBO000612 [0,2,0,0,0,0|2,0,0]=4 370 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C JRD0423 [0,2,0,0,0,0|2,0,0]=4 371 B14R2.4513 CC1=COC2=C(C1=O)C=C(C=C2)Cl JRD1304 [0,2,0,0,0,0|2,0,0]=4 372 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)Br JRD0424 [0,2,0,0,0,0|2,0,0]=4 373 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)F JRD0425 [0,2,0,0,0,0|2,0,0]=4 374 B14R2.4513 ClC1=C(C2=CC(=CC=C2N=C1)Br)Cl BBO000617 [0,2,0,0,0,0|2,0,0]=4 375 B14R2.4513 ClC1=C(C=NC2=CC=C(C=C12)Br)Br BBO000337 [0,2,0,0,0,0|2,0,0]=4 376 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Br)Cl BBO000623 [0,2,0,0,0,0|2,0,0]=4 377 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Cl)Br BBO000335 [0,2,0,0,0,0|2,0,0]=4 378 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Cl)Cl BBO000336 [0,2,0,0,0,0|2,0,0]=4 379 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Br)Br IDF00137 [0,2,0,0,0,0|2,0,0]=4 380 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Cl)Br IDF00068 [0,2,0,0,0,0|2,0,0]=4 381 B14R2.7724 CC1=CC(=O)N(C2=C1C=CC=C2)C PH005171 [0,2,0,0,0,0|1,1,0]=4 382 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [0,2,0,0,0,0|2,0,0]=4 383 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [0,2,0,0,0,0|2,0,0]=4 384 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [0,2,0,0,0,0|1,0,0]=3 385 B14R2.7724 NC1=C(C=C(C2=C1N=CC=C2)Br)Br S197874 [0,2,0,0,0,0|2,0,0]=4 386 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [0,2,0,0,0,0|1,0,0]=3 387 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)Cl)Br BBO000313 [0,2,0,0,0,0|2,0,0]=4 388 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)N)Br BBO000604 [0,2,0,0,0,0|2,0,0]=4 389 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Br BBO000312 [0,2,0,0,0,0|2,0,0]=4 390 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Cl BBO000715 [0,2,0,0,0,0|2,0,0]=4 391 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)Cl BBO000148 [0,2,0,0,0,0|2,0,0]=4 392 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)N BBO000158 [0,2,0,0,0,0|2,0,0]=4 393 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)Cl BBO000170 [0,2,0,0,0,0|2,0,0]=4 394 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [0,2,0,0,0,0|2,0,0]=4 395 B14R2.8038 ClC1=C(C2=NC=CC(=C2C=C1)Br)Cl BBO000594 [0,2,0,0,0,0|2,0,0]=4 396 B14R2.8038 ClC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000146 [0,2,0,0,0,0|2,0,0]=4 397 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Br)F BBO000602 [0,2,0,0,0,0|2,0,0]=4 398 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Cl)F BBO000601 [0,2,0,0,0,0|2,0,0]=4 399 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Br)Cl BBO000625 [0,2,0,0,0,0|2,0,0]=4 400 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Cl)Cl BBO000616 [0,2,0,0,0,0|2,0,0]=4 401 B14R2.8038 NC1=C2C=CC(=C(C2=NC=C1)F)F BBO000603 [0,2,0,0,0,0|2,0,0]=4 402 B14R2.8038 NC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000155 [0,2,0,0,0,0|2,0,0]=4 403 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)Br)Br BBO000329 [0,2,0,0,0,0|2,0,0]=4 404 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)F)Br BBO000327 [0,2,0,0,0,0|2,0,0]=4 405 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)F BBO000301 [0,2,0,0,0,0|2,0,0]=4 406 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,2,0,0,0,0|1,0,0]=3 407 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [0,2,0,0,0,0|2,0,0]=4 408 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [0,2,0,0,0,0|2,0,0]=4 409 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [0,2,0,0,0,0|2,0,0]=4 410 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,2,0,0,0,0|1,1,0]=4 411 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)I R269794 [0,2,0,0,0,0|1,0,0]=3 412 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)N R268771 [0,2,0,0,0,0|1,0,0]=3 413 B14R2.29369 CC1=CC=C2C(=N1)C=CC(=C2N)C T319848 [0,2,0,0,0,0|2,0,0]=4 414 B14R2.29369 ClC1=C(C2=CC=C(C=C2N=C1)Br)Cl BBO000618 [0,2,0,0,0,0|2,0,0]=4 415 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Br)Cl BBO000624 [0,2,0,0,0,0|2,0,0]=4 416 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Cl)Cl BBO000615 [0,2,0,0,0,0|2,0,0]=4 417 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Br BBO000328 [0,2,0,0,0,0|2,0,0]=4 418 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Cl BBO000613 [0,2,0,0,0,0|2,0,0]=4 419 B14R2.112 Br/C=C\C1=NC2=C(C=CC=C2)C=C1 CFSS0017 [0,2,0,0,0,0|2,0,0]=4 420 B14R2.112 CCNC1=CC=C2C=CC=CC2=C1 CDS011399 [0,2,0,0,0,0|1,0,0]=3 421 B14R2.112 CCOC1=CC2=C(C=C1)N=CC=C2 S817899 [0,2,0,0,0,0|1,1,0]=4 422 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 T160180 [0,2,0,0,0,0|1,1,0]=4 423 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 CBR02295 [0,2,0,0,0,0|2,0,0]=4 424 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 CBR00241 [0,2,0,0,0,0|2,0,0]=4 425 B14R2.112 CSCC1=CC2=C(C=CC=C2)C=C1 S799173 [0,2,0,0,0,0|0,0,0]=2 426 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 L300306 [0,2,0,0,0,0|1,0,0]=3 427 B14R2.112 NNCC1=CC2=CC=CC=C2N=C1 PH019522 [0,2,0,0,0,0|2,0,0]=4 428 B14R2.112 O/N=C/C1=CC=C2C=CC=CC2=C1 PH009916 [0,2,0,0,0,0|0,1,0]=3 429 B14R2.112 OCCC1=NC2=C(C=CC=C2)C=C1 PH004940 [0,2,0,0,0,0|1,1,0]=4 430 B14R2.134 C(=O)C1=CC2=C(C=CC(=C2)C)C=C1 S943770 [0,2,0,0,0,0|0,1,0]=3 431 B14R2.134 CC1=CC2=CC(=CC=C2C=C1)C#N PH001896 [0,2,0,0,0,0|1,0,0]=3 432 B14R2.134 COC1=CC=C2C=CC(=NC2=C1)C BBO000218 [0,2,0,0,0,0|1,1,0]=4 433 B14R2.134 COC1=CC=C2N=CC(=CC2=C1)N BBO000579 [0,2,0,0,0,0|1,1,0]=4 434 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)N BBO000154 [0,2,0,0,0,0|2,0,0]=4 435 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)O BBO000208 [0,2,0,0,0,0|2,0,0]=4 436 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2C BBO000710 [0,2,0,0,0,0|1,1,0]=4 437 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2Cl BBO000696 [0,2,0,0,0,0|1,1,0]=4 438 B14R2.142 COC1=CC2=C(C=C1)OC=CC2=O PH000375 [0,2,0,0,0,0|1,1,0]=4 439 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)Br BBO000237 [0,2,0,0,0,0|1,1,0]=4 440 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)N BBO000076 [0,2,0,0,0,0|1,1,0]=4 441 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)O BBO000055 [0,2,0,0,0,0|1,1,0]=4 442 B14R2.781 CC(Br)C1=CC2=C(C=CC=C2)C=C1 PH010426 [0,2,0,0,0,0|1,0,0]=3 443 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S365653 [0,2,0,0,0,0|1,0,0]=3 444 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S393320 [0,2,0,0,0,0|1,0,0]=3 445 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 CDS020343 [0,2,0,0,0,0|1,0,0]=3 446 B14R2.781 CC(N)C1=CC=C2N=CC=CC2=C1 PH018539 [0,2,0,0,0,0|2,0,0]=4 447 B14R2.781 CN(C)C1=NC2=C(C=CC=C2)C=C1 S820369 [0,2,0,0,0,0|2,0,0]=4 448 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 PH006820 [0,2,0,0,0,0|1,1,0]=4 449 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CDS008227 [0,2,0,0,0,0|1,1,0]=4 450 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 CDS000326 [0,2,0,0,0,0|1,1,0]=4 451 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 R580694 [0,2,0,0,0,0|0,1,0]=3 452 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 S652083 [0,2,0,0,0,0|0,0,1]=3 453 B14R2.781 OB(O)C1=CC2=CC=NC=C2C=C1 SYX00242 [0,2,0,0,0,0|1,1,0]=4 454 B14R2.781 OB(O)C1=CC=C2C=CN=CC2=C1 CDS009275 [0,2,0,0,0,0|1,1,0]=4 455 B14R2.781 OB(O)C1=CC=C2C=NC=CC2=C1 CDS010117 [0,2,0,0,0,0|1,1,0]=4 456 B14R2.781 OB(O)C1=NC2=C(C=CC=C2)C=C1 CDS021932 [0,2,0,0,0,0|1,1,0]=4 457 B14R2.1019 C[N+]1=CC(=CC2=CC=CC=C12)C#N R254789 [0,2,0,0,0,0|2,0,0]=4 458 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [0,2,0,0,0,0|1,1,0]=4 459 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S280526 [0,2,0,0,0,0|1,0,0]=3 460 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S302805 [0,2,0,0,0,0|1,0,0]=3 461 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl BBO000255 [0,2,0,0,0,0|2,0,0]=4 462 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1N BBO000545 [0,2,0,0,0,0|2,0,0]=4 463 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl BBO000118 [0,2,0,0,0,0|2,0,0]=4 464 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=N S647632 [0,2,0,0,0,0|2,0,0]=4 465 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1N CDS016501 [0,2,0,0,0,0|2,0,0]=4 466 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [0,2,0,0,0,0|0,1,0]=3 467 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [0,2,0,0,0,0|1,1,0]=4 468 B14R2.1801 CC[N+]1=CC2=C(C=C1)C(=CC=C2)O S533661 [0,2,0,0,0,0|2,0,0]=4 469 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [0,2,0,0,0,0|0,1,0]=3 470 B14R2.1801 COC1=CC2=NC=CC(=C2C=C1)Br BBO000276 [0,2,0,0,0,0|1,1,0]=4 471 B14R2.1801 COC1=CC=C2C(=CC=NC2=C1)N BBO000569 [0,2,0,0,0,0|1,1,0]=4 472 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 OTV000443 [0,2,0,0,0,0|1,1,0]=4 473 B14R2.1801 O=CC1=CC=C2C(=C1)C=CN=C2Cl CDS024086 [0,2,0,0,0,0|1,1,0]=4 474 B14R2.2332 COC1=CC=C2C=C(C=NC2=C1)N BBO000640 [0,2,0,0,0,0|1,1,0]=4 475 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)Cl BBO000233 [0,2,0,0,0,0|1,1,0]=4 476 B14R2.2332 CSC1=NC2=CC=C(C=C2C=N1)Br PHB00125 [0,2,0,0,0,0|2,0,0]=4 477 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O CDS018120 [0,2,0,0,0,0|0,1,0]=3 478 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000197 [0,2,0,0,0,0|2,0,0]=4 479 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000095 [0,2,0,0,0,0|2,0,0]=4 480 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000132 [0,2,0,0,0,0|2,0,0]=4 481 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Br BBO000746 [0,2,0,0,0,0|2,0,0]=4 482 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Cl BBO000064 [0,2,0,0,0,0|2,0,0]=4 483 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)F BBO000065 [0,2,0,0,0,0|2,0,0]=4 484 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000563 [0,2,0,0,0,0|2,0,0]=4 485 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000137 [0,2,0,0,0,0|2,0,0]=4 486 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1N)F BBO000546 [0,2,0,0,0,0|2,0,0]=4 487 B14R2.8239 CC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000108 [0,2,0,0,0,0|2,0,0]=4 488 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)Cl BBO000107 [0,2,0,0,0,0|2,0,0]=4 489 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)N BBO000543 [0,2,0,0,0,0|2,0,0]=4 490 B14R2.8239 CC1=NC2=CC(=C(C=C2C=C1)C)C BBO000059 [0,2,0,0,0,0|2,0,0]=4 491 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [0,2,0,0,0,0|1,1,0]=4 492 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)Cl)Br BBO000652 [0,2,0,0,0,0|2,0,0]=4 493 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [0,2,0,0,0,0|2,0,0]=4 494 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,2,0,0,0,0|2,0,0]=4 495 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)Cl CBR01181 [0,2,0,0,0,0|2,0,0]=4 496 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [0,2,0,0,0,0|2,0,0]=4 497 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [0,2,0,0,0,0|1,1,0]=4 498 B14R2.29365 CC1=CC(=[O+]C2=C1C=CC(=C2)O)C S32949 [0,2,0,0,0,0|1,1,0]=4 499 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,2,0,0,0,0|1,1,0]=4 500 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,2,0,0,0,0|1,1,0]=4 501 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,2,0,0,0,0|2,0,0]=4 502 B14R2.29365 CC1=NC2=CC(=CC(=C2C=C1)Cl)Cl BBO000184 [0,2,0,0,0,0|2,0,0]=4 503 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,2,0,0,0,0|2,0,0]=4 504 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,2,0,0,0,0|2,0,0]=4 505 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,2,0,0,0,0|2,0,0]=4 506 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,2,0,0,0,0|2,0,0]=4 507 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,2,0,0,0,0|2,0,0]=4 508 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,2,0,0,0,0|2,0,0]=4 509 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,2,0,0,0,0|1,1,0]=4 510 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Br BBO000235 [0,2,0,0,0,0|2,0,0]=4 511 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Cl BBO000144 [0,2,0,0,0,0|2,0,0]=4 512 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)O BBO000032 [0,2,0,0,0,0|2,0,0]=4 513 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,2,0,0,0,0|2,0,0]=4 514 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,2,0,0,0,0|2,0,0]=4 515 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,2,0,0,0,0|2,0,0]=4 516 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,2,0,0,0,0|2,0,0]=4 517 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)Cl)C BBO000167 [0,2,0,0,0,0|2,0,0]=4 518 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)N)Cl BBO000160 [0,2,0,0,0,0|2,0,0]=4 519 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [0,2,0,0,0,0|2,0,0]=4 520 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)Cl BBO000037 [0,2,0,0,0,0|2,0,0]=4 521 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)Cl)Br BBO000310 [0,2,0,0,0,0|2,0,0]=4 522 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl BBO000763 [0,2,0,0,0,0|2,0,0]=4 523 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl CDS019164 [0,2,0,0,0,0|2,0,0]=4 524 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [0,2,0,0,0,0|1,1,0]=4 525 B14R2.8045 CC1=CC2=C(C=CN=C2C(=C1)Br)Cl BBO000314 [0,2,0,0,0,0|2,0,0]=4 526 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,2,0,0,0,0|2,0,0]=4 527 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,2,0,0,0,0|2,0,0]=4 528 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,2,0,0,0,0|2,0,0]=4 529 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,2,0,0,0,0|2,0,0]=4 530 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,2,0,0,0,0|2,0,0]=4 531 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,2,0,0,0,0|2,0,0]=4 532 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,2,0,0,0,0|2,0,0]=4 533 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,2,0,0,0,0|2,0,0]=4 534 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,2,0,0,0,0|2,0,0]=4 535 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,2,0,0,0,0|2,0,0]=4 536 B14R2.8045 FC1=CC2=C(C=CN=C2C(=C1)F)Cl BBO000309 [0,2,0,0,0,0|2,0,0]=4 537 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000761 [0,2,0,0,0,0|2,0,0]=4 538 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl CDS017170 [0,2,0,0,0,0|2,0,0]=4 539 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Br IDF00069 [0,2,0,0,0,0|2,0,0]=4 540 B14R2.8045 O=C1C=COC2=C1C=C(C=C2Cl)Cl IDF00033 [0,2,0,0,0,0|2,0,0]=4 541 B14R2.8045 OC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000178 [0,2,0,0,0,0|2,0,0]=4 542 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,2,0,0,0,0|2,0,0]=4 543 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,2,0,0,0,0|2,0,0]=4 544 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,2,0,0,0,0|2,0,0]=4 545 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,2,0,0,0,0|1,1,0]=4 546 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,2,0,0,0,0|2,0,0]=4 547 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,2,0,0,0,0|2,0,0]=4 548 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,2,0,0,0,0|1,1,0]=4 549 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,2,0,0,0,0|2,0,0]=4 550 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,2,0,0,0,0|1,1,0]=4 551 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,2,0,0,0,0|2,0,0]=4 552 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,2,0,0,0,0|2,0,0]=4 553 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,2,0,0,0,0|2,0,0]=4 554 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,2,0,0,0,0|2,0,0]=4 555 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,2,0,0,0,0|2,0,0]=4 556 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,2,0,0,0,0|2,0,0]=4 557 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,2,0,0,0,0|2,0,0]=4 558 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,2,0,0,0,0|2,0,0]=4 559 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,2,0,0,0,0|2,0,0]=4 560 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,2,0,0,0,0|2,0,0]=4 561 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,2,0,0,0,0|2,0,0]=4 562 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,2,0,0,0,0|2,0,0]=4 563 B14R2.8235 NC1=CC2=C(C=C(C=C2N=C1)Cl)Cl BBO000646 [0,2,0,0,0,0|2,0,0]=4 564 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,2,0,0,0,0|1,1,0]=4 565 B14R2.8751 CC1=C2C=NC(=CC2=C(C=C1)F)N PH018812 [0,2,0,0,0,0|2,0,0]=4 566 B14R2.8751 CC1=CC=C2C(=CC=C(C2=N1)O)Cl PH008835 [0,2,0,0,0,0|2,0,0]=4 567 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)Cl)C BBO000188 [0,2,0,0,0,0|2,0,0]=4 568 B14R2.8751 [O-][N+]1=CC=C(C2=C1C=C(C=C2)Cl)Cl T161608 [0,2,0,0,0,0|2,0,0]=4 569 B14R2.11684 CC1=CC=C2C=CC=C(C2=N1)NN PH018443 [0,2,0,0,0,0|2,0,0]=4 570 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 IDF00005 [0,2,0,0,0,0|1,1,0]=4 571 B14R2.11684 COC1=CC=CC2=C1N=C(C=C2)C S770345 [0,2,0,0,0,0|2,0,0]=4 572 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)Cl CDS009012 [0,2,0,0,0,0|2,0,0]=4 573 B14R2.11684 NNC1=CC=NC2=C1C=C(C=C2)F PH018682 [0,2,0,0,0,0|2,0,0]=4 574 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Br BBO000537 [0,2,0,0,0,0|2,0,0]=4 575 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Cl BBO000538 [0,2,0,0,0,0|2,0,0]=4 576 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)F BBO000539 [0,2,0,0,0,0|2,0,0]=4 577 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,2,0,0,0,0|2,0,0]=4 578 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)N)C BBO000565 [0,2,0,0,0,0|2,0,0]=4 579 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)O)C BBO000192 [0,2,0,0,0,0|2,0,0]=4 580 B14R2.28472 CC1=C(C=C2C(=O)C=COC2=C1)Cl IDF00013 [0,2,0,0,0,0|2,0,0]=4 581 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)Cl BBO000607 [0,2,0,0,0,0|2,0,0]=4 582 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)N BBO000608 [0,2,0,0,0,0|2,0,0]=4 583 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,2,0,0,0,0|2,0,0]=4 584 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,2,0,0,0,0|2,0,0]=4 585 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)Cl BBO000605 [0,2,0,0,0,0|2,0,0]=4 586 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)N BBO000606 [0,2,0,0,0,0|2,0,0]=4 587 B14R2.28472 ClC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000143 [0,2,0,0,0,0|2,0,0]=4 588 B14R2.28472 NC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000564 [0,2,0,0,0,0|2,0,0]=4 589 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [0,2,0,0,0,0|1,1,0]=4 590 B14R2.1146 OC1=CC(=C2C=CC=CC2=N1)CBr PH015678 [0,2,0,0,0,0|1,1,0]=4 591 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C BBO000165 [0,2,0,0,0,0|2,0,0]=4 592 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)N)C BBO000152 [0,2,0,0,0,0|2,0,0]=4 593 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [0,2,0,0,0,0|2,0,0]=4 594 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [0,2,0,0,0,0|2,0,0]=4 595 B14R2.28480 CC1=CC2=NC=CC(=C2C(=C1)C)Br BBO000593 [0,2,0,0,0,0|2,0,0]=4 596 B14R2.28480 FC1=CC2=NC=CC(=C2C(=C1)F)Br BBO000598 [0,2,0,0,0,0|2,0,0]=4 597 B14R2.28480 OC1=C2C(=CC(=CC2=NC=C1)F)F BBO000306 [0,2,0,0,0,0|2,0,0]=4 598 B14R2.1073 COC1=C2N=CC(=CC2=CC=C1)N BBO000639 [0,2,0,0,0,0|2,0,0]=4 599 B14R2.1073 N#CC1=CC=NC2=C1C=CC(=C2)Cl PH009919 [0,2,0,0,0,0|2,0,0]=4 600 B14R2.1073 NNC1=CC=NC2=CC(=CC=C12)Br BBO000536 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,1,0,1,0|2,0,0]=4 602 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,0,1,0,1,0|2,0,0]=4 603 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,0,1,0,1,0|2,0,0]=4 604 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,1,0|2,0,0]=4 605 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,1,0|2,0,0]=4 606 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,1,0|2,0,0]=4 607 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,1,0|2,0,0]=4 608 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,1,0|2,0,0]=4 609 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,1,0|2,0,0]=4 610 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,0,1,0|2,0,0]=4 611 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,0,2,0|0,1,1]=4 612 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,0,1,0,0,1|1,0,1]=4 613 B14R2.280 O=C1C=CC2=CC=CC=C2C=CN1 T176486 [0,0,0,0,0,2|0,1,0]=3 614 B14R2.391 O=C1C=CC=CC2=CC=CC=C2N1 T176494 [0,0,0,0,0,2|1,1,0]=4