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=CC=C2CCCNC2=N1 CDS020000 [0,0,0,0,0,0|1,0,3]=4 3 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,0,0,0|1,0,1]=2 5 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,0,0,0|2,0,2]=4 7 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,0,0,0,0,0|2,0,0]=2 12 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,0,0,0,0,0|2,0,2]=4 14 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,0,0,0|3,0,0]=3 16 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,0,0,0,0,0|2,0,0]=2 21 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,0,0,0|2,0,2]=4 22 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,0,0,0|2,0,2]=4 23 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,0,0,0|3,0,1]=4 24 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,0,0,0,0|4,0,0]=4 27 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,0,0,0|1,0,3]=4 28 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,0,0,0|2,0,2]=4 29 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,0,0,0|2,0,2]=4 30 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,0,0,0|0,0,1]=2 32 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,0,0,0|1,0,0]=2 33 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,0,0,0|1,0,0]=2 34 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,0,0,0|1,0,1]=3 35 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,0,0,0|1,0,0]=2 36 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,0,0,0|0,1,1]=3 38 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,1,0,0,0,0|0,0,1]=2 42 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,1,0,0,0,0|0,0,1]=2 43 B13R2.32 CC1=[N+](C2=C(C=CC=C2)N=C1)[O-] PH008273 [0,1,0,0,0,0|1,0,1]=3 44 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,1,0,0,0,0|1,0,1]=3 45 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,1,0,0,0,0|3,0,0]=4 47 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,1,0,0,0,0|3,0,0]=4 52 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,0,0,0|1,0,1]=3 53 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,1,0,0,0,0|3,0,0]=4 54 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,1,0,0,0,0|1,0,1]=3 56 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [0,1,0,0,0,0|1,0,1]=3 58 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,1,0,0,0,0|0,0,0]=1 60 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [0,1,0,0,0,0|3,0,0]=4 62 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,1,0,0,0,0|0,0,0]=1 63 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,1,0,0,0,0|0,0,0]=1 64 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,1,0,0,0,0|0,0,0]=1 65 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,1,0,0,0,0|2,0,1]=4 68 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,1,0,0,0,0|2,0,1]=4 69 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [0,1,0,0,0,0|1,0,1]=3 70 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,1,0,0,0,0|0,0,0]=1 71 B13R2.57 OCC1=CN=C2C=CC=NC2=C1 ADE000879 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,1,0,0,0,0|0,0,0]=1 75 B13R2.155 ClC1=CC=C2C=CC(=NC2=N1)Cl PH000472 [0,1,0,0,0,0|2,0,0]=3 76 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [0,1,0,0,0,0|1,0,0]=2 77 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,1,0,0,0,0|3,0,0]=4 79 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.155 OC1=NC2=NC(=CC=C2C=C1)F ADE000840 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,0,0,0|0,0,0]=1 86 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,0,0,0|0,0,0]=1 89 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,1,0,0,0,0|3,0,0]=4 92 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,1,0,0,0,0|1,0,0]=2 94 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,1,0,0,0,0|3,0,0]=4 96 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,1,0,0,0,0|3,0,0]=4 99 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [0,1,0,0,0,0|2,0,1]=4 101 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,0,0,0|1,0,1]=3 102 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [0,1,0,0,0,0|1,0,0]=2 107 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,1,0,0,0,0|1,0,0]=2 108 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [0,1,0,0,0,0|1,0,0]=2 109 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,1,0,0,0,0|1,0,1]=3 110 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,1,0,0,0,0|1,0,0]=2 113 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.328 ClC1=NC(=C2N=CC=CC2=N1)Cl CDS008871 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.328 ClC1=NC2=NC=CC=C2C(=N1)Cl PH010601 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,0,0,0|3,0,0]=4 118 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,1,0,0,0,0|1,0,0]=2 120 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,0,0,0|1,0,1]=3 122 B13R2.328 O=C1C=C(N=C2N1C=CC=C2)Cl R795666 [0,1,0,0,0,0|2,0,0]=3 123 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.328 O=C1NC(=S)N=C2N1C=CC=C2 PH007719 [0,1,0,0,0,0|3,0,0]=4 125 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,0,0,0|1,0,0]=2 128 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,1,0,0,0,0|1,0,0]=2 129 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [0,1,0,0,0,0|1,0,0]=2 133 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,1,0,0,0,0|1,0,1]=3 134 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,0,0,0|2,0,1]=4 135 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,0,0,0|2,0,1]=4 136 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,1,0,0,0,0|1,0,2]=4 137 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,1,0,0,0,0|2,0,1]=4 138 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,1,0,0,0,0|2,0,1]=4 139 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,1,0,0,0,0|2,0,1]=4 140 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [0,1,0,0,0,0|2,0,1]=4 143 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,1,0,0,0,0|1,0,0]=2 144 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,0,0,0|2,0,1]=4 145 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,1,0,0,0,0|1,0,0]=2 148 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,0|0,0,0]=1 149 B13R2.3683 CC1=NC2=NC=C(C=C2C=C1)F ADE000849 [0,1,0,0,0,0|1,0,0]=2 150 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,1,0,0,0,0|2,0,0]=3 153 B13R2.3683 NC1=CC=C2C=C(C=NC2=N1)Br CDS019239 [0,1,0,0,0,0|2,0,0]=3 154 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,1,0,0,0,0|2,0,0]=3 155 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,1,0,0,0,0|2,0,0]=3 156 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,1,0,0,0,0|3,0,0]=4 157 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,1,0,0,0,0|3,0,0]=4 158 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,1,0,0,0,0|1,0,0]=2 159 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,1,0,0,0,0|1,0,1]=3 161 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,1,0,0,0,0|1,0,1]=3 162 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,1,0,0,0,0|1,0,0]=2 163 B13R2.3683 OC1=NC2=NC=C(C=C2C=C1)Br ADE000844 [0,1,0,0,0,0|2,0,0]=3 164 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,1,0,0,0,0|3,0,0]=4 165 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,1,0,0,0,0|3,0,0]=4 167 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,0,0,0|2,0,0]=3 169 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,1,0,0,0,0|3,0,0]=4 170 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [0,1,0,0,0,0|3,0,0]=4 171 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,1,0,0,0,0|1,0,0]=2 172 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,1,0,0,0,0|3,0,0]=4 173 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,1,0,0,0,0|3,0,0]=4 174 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,1,0,0,0,0|3,0,0]=4 175 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,0,0,0|3,0,0]=4 178 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,1,0,0,0,0|3,0,0]=4 179 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [0,1,0,0,0,0|3,0,0]=4 180 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,1,0,0,0,0|3,0,0]=4 181 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,1,0,0,0,0|3,0,0]=4 182 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,1,0,0,0,0|3,0,0]=4 184 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,1,0,0,0,0|3,0,0]=4 185 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,0,1,0,0,0|2,0,1]=4 187 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,0,1,0,0,0|2,0,1]=4 188 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,0,1,0,0,0|1,0,1]=3 190 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,0,1,0,0,0|2,0,1]=4 191 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,0,1,0,0,0|2,0,1]=4 192 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,1,0,0,0|1,0,1]=3 193 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,1,0,0,0|2,0,1]=4 194 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,1,0,0,0|2,0,1]=4 195 B11R1.81 C=CCC1=CC=C(N=C1Cl)Br ADE000576 [0,0,1,0,0,0|2,0,1]=4 196 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,0,1,0,0,0|3,0,0]=4 197 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,0,1,0,0,0|1,0,2]=4 198 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,0,1,0,0,0|3,0,0]=4 199 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,1,0,0,0|2,0,0]=3 200 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,1,0,0,0|2,0,1]=4 201 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,1,0,0,0|2,0,1]=4 202 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,1,0,0,0|2,0,1]=4 203 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,0,1,0,0,0|2,0,1]=4 204 B11R1.91 CN(C)/C=C/C1=CC=NC=C1 PH014856 [0,0,1,0,0,0|3,0,0]=4 205 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,0,1,0,0,0|3,0,0]=4 206 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,0,1,0,0,0|3,0,0]=4 207 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,1,0,0,0|2,0,1]=4 208 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,1,0,0,0|2,0,1]=4 209 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,1,0,0,0|2,0,1]=4 210 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,1,0,0,0|2,0,0]=3 211 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,1,0,0,0|3,0,0]=4 212 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,1,0,0,0|3,0,0]=4 213 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,1,0,0,0|2,0,0]=3 214 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,1,0,0,0|2,0,0]=3 215 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,0,1,0,0,0|2,0,1]=4 216 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,0,1,0|2,0,0]=3 217 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,0,0,0,1,0|2,0,0]=3 218 B11R2.1 CC1=CSC2[NH+]1C=CC=C2 S697168 [0,0,0,0,1,0|2,0,1]=4 219 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,0,1,0|2,0,0]=3 220 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,0,1,0|2,0,0]=3 221 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,0,0,0,1,0|3,0,0]=4 222 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,0,1,0|2,0,0]=3 223 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,0,1,0|3,0,0]=4 224 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,0,1,0|3,0,0]=4 225 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,0,1,0|3,0,0]=4 226 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,0,1,0|3,0,0]=4 227 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,0,1,0|3,0,0]=4 228 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,0,1,0|2,0,1]=4 229 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,0,1,0|3,0,0]=4 230 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,0,1,0|2,0,0]=3 231 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,0,0,0,1,0|3,0,0]=4 232 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,0,1,0|2,0,0]=3 233 B11R2.10 CC1=N[N+]2=C(S1)N=CC=C2 S42855 [0,0,0,0,1,0|3,0,0]=4 234 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,0,1,0|1,0,2]=4 235 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,0,1,0|2,0,1]=4 236 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,0,0,0,1,0|3,0,0]=4 237 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,0,1,0|1,0,0]=2 238 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,0,1,0|2,0,1]=4 239 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,0,1,0|2,0,1]=4 240 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,0,1,0|3,0,0]=4 241 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,0,0,0,1,0|2,0,0]=3 242 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,0,0,0,1,0|2,0,0]=3 243 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,0,0,0,1,0|2,0,0]=3 244 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,0,0,0,1,0|3,0,0]=4 245 B11R2.36 BrC1=NC2=C(C=C1)NN=C2 BLN00049 [0,0,0,0,1,0|3,0,0]=4 246 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,0,0,0,1,0|2,0,0]=3 247 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,0,0,0,1,0|3,0,0]=4 248 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,0,1,0|3,0,0]=4 249 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,0,0,0,1,0|3,0,0]=4 250 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,0,0,0,1,0|2,0,0]=3 251 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [0,0,0,0,1,0|3,0,0]=4 252 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,0,0,0,1,0|2,0,0]=3 253 B11R2.36 ClC1=CC=C2NN=CC2=N1 BLN00012 [0,0,0,0,1,0|3,0,0]=4 254 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,0,0,0,1,0|3,0,0]=4 255 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [0,0,0,0,1,0|3,0,0]=4 256 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [0,0,0,0,1,0|3,0,0]=4 257 B11R2.36 ClC1=NN2C=CN=C2C=C1 CDS005940 [0,0,0,0,1,0|3,0,0]=4 258 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [0,0,0,0,1,0|3,0,0]=4 259 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,0,0,1|2,0,0]=3 260 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,0,0,0,0,1|2,0,0]=3 261 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,1,0,0,0|1,0,0]=3 262 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,1,0,0,0|0,0,2]=4 263 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,1,0,0,0|1,0,0]=3 264 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,1,0,0,0|1,0,1]=4 265 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,1,0,0,0|1,0,0]=3 266 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,0,1,0,0,0|1,0,1]=4 267 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [1,0,1,0,0,0|2,0,0]=4 268 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,0,1,0,0,0|1,0,1]=4 269 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,1,0,0,0|1,0,0]=3 270 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,1,0,0,0|2,0,0]=4 271 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,1,0,0,0|1,0,1]=4 272 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,1,0,0,0|2,0,0]=4 273 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,1,1,0,0,0|1,0,1]=4 274 B12R1.1631 O=C/C=C/C1=C(C=CC=C1F)F CDS020168 [0,1,1,0,0,0|2,0,0]=4 275 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,1,0,0,0|2,0,0]=4 276 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,1,1,0,0,0|2,0,0]=4 278 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,1,0,0,0|0,0,0]=2 279 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,1,0,0,0|1,0,0]=3 280 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,1,1,0,0,0|2,0,0]=4 281 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,1,1,0,0,0|1,0,1]=4 282 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,1,0,0,0|1,0,1]=4 283 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.107 N=C(N)SC(=O)C1=CC=CC=C1 S187364 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.891 CC(C)(O)/C=C/C1=CC=CC=C1 S881074 [0,1,1,0,0,0|1,0,1]=4 287 B12R1.891 CS(=O)(=O)/C=C/C1=CC=CC=C1 S778249 [0,1,1,0,0,0|2,0,0]=4 288 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [1,1,0,0,0,0|0,0,1]=3 289 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [1,1,0,0,0,0|0,0,0]=2 290 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [1,1,0,0,0,0|2,0,0]=4 291 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [1,1,0,0,0,0|1,0,0]=3 292 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [1,1,0,0,0,0|0,0,0]=2 293 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [1,1,0,0,0,0|0,0,0]=2 294 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [1,1,0,0,0,0|1,0,0]=3 295 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [1,1,0,0,0,0|2,0,0]=4 296 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,1,0,0,0,0|1,0,0]=3 297 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [1,1,0,0,0,0|2,0,0]=4 298 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [1,1,0,0,0,0|0,0,0]=2 299 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [1,1,0,0,0,0|0,0,0]=2 300 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,1,0,0,0,0|1,0,0]=3 301 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [1,1,0,0,0,0|1,0,1]=4 302 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [1,1,0,0,0,0|0,0,0]=2 303 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [1,1,0,0,0,0|2,0,0]=4 304 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [1,1,0,0,0,0|2,0,0]=4 305 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [1,1,0,0,0,0|0,0,1]=3 306 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,1,0,0,1,0|1,0,0]=3 307 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,1,0,0,1,0|2,0,0]=4 308 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,1,0,0,1,0|2,0,0]=4 309 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,1,0,0,1,0|2,0,0]=4 310 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,1,0,0,1,0|2,0,0]=4 311 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,0,1,0|1,0,0]=3 312 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,1,0,0,1,0|1,0,0]=3 313 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [0,1,0,0,1,0|2,0,0]=4 314 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [0,1,0,0,1,0|2,0,0]=4 315 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,0,1,0|1,0,0]=3 316 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,1,0,0,1,0|2,0,0]=4 317 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,1,0,0,1,0|2,0,0]=4 318 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,1,0,0,1,0|2,0,0]=4 319 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,1,0,0,1,0|2,0,0]=4 320 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,1,0,0,1,0|2,0,0]=4 321 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,1,0,0,1,0|2,0,0]=4 322 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,1,0,0,1,0|2,0,0]=4 323 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,1,0,0,1,0|2,0,0]=4 324 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,0,1,0|1,0,0]=3 325 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,1,0,0,1,0|1,0,0]=3 326 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,0,1,0|2,0,0]=4 327 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [0,1,0,0,1,0|2,0,0]=4 328 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,1,0,0,1,0|2,0,0]=4 329 B12R2.132 CN1N=CC2=CC=C(C=C12)N CDS009694 [0,1,0,0,1,0|2,0,0]=4 330 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,0,1,0|1,0,0]=3 331 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,1,0,0,1,0|1,0,0]=3 332 B12R2.196 CN1C=CC2=C(C=CN=C12)Cl CDS023532 [0,1,0,0,1,0|2,0,0]=4 333 B12R2.203 CC1=CN=C2N1C(=CC=C2)N SYX00144 [0,1,0,0,1,0|2,0,0]=4 334 B12R2.203 CN1N=CC2=CC=CC(=C12)Br SYX00127 [0,1,0,0,1,0|2,0,0]=4 335 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,1,0,0,1,0|2,0,0]=4 336 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,0,1,0|2,0,0]=4 337 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,0,1,0|1,0,0]=3 338 B12R2.612 CN1C=CC2=CC(=CN=C12)O ADE000927 [0,1,0,0,1,0|2,0,0]=4 339 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [0,1,0,0,1,0|2,0,0]=4 340 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,0,1,0|1,0,0]=3 341 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,0,1,0|1,0,1]=4 342 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,0,1,0|2,0,0]=4 343 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,0,1,0|2,0,0]=4 344 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [0,1,0,0,1,0|2,0,0]=4 345 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [0,1,0,0,1,0|2,0,0]=4 346 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [0,1,0,0,1,0|2,0,0]=4 347 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,1,0,0,1,0|1,0,0]=3 348 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,1,0,0,1,0|1,0,0]=3 349 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,1,0,0,1,0|1,0,0]=3 350 B12R2.32 ClCC1=CN2C=CC=CC2=N1 T328316 [0,1,0,0,1,0|1,0,0]=3 351 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [0,1,0,0,1,0|1,0,0]=3 352 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,1,0,0,1,0|1,0,0]=3 353 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,1,0,0,1,0|1,0,1]=4 354 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [0,1,0,0,1,0|1,0,1]=4 355 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,1,0,0,1,0|0,0,1]=3 356 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,1,0,0,1,0|1,0,0]=3 357 B12R2.32 NCC1=CN2C=CC=CC2=N1 CBR00989 [0,1,0,0,1,0|1,0,0]=3 358 B12R2.32 NCC1=NC2=CC=CC=C2S1 CBR00935 [0,1,0,0,1,0|1,0,0]=3 359 B12R2.32 NCC1=NC2=NC=CC=C2N1 CDS019145 [0,1,0,0,1,0|2,0,0]=4 360 B12R2.32 NSC1=NC2=C(S1)C=CC=C2 S492205 [0,1,0,0,1,0|2,0,0]=4 361 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,1,0,0,1,0|1,0,1]=4 362 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [0,1,0,0,1,0|2,0,0]=4 363 B12R2.32 OCC1=CN2C=CC=CC2=N1 CDS017742 [0,1,0,0,1,0|1,0,0]=3 364 B12R2.32 OCC1=CN2C=CC=CC2=N1 SYX00380 [0,1,0,0,1,0|1,0,0]=3 365 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [0,1,0,0,1,0|1,0,0]=3 366 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,1,0,0,1,0|1,0,0]=3 367 B12R2.32 [C-]#CC1=NC2=C(S1)C=CC=C2 S887560 [0,1,0,0,1,0|1,0,1]=4 368 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,0,1,0|1,0,0]=3 369 B12R2.202 CC1=CN2C(=CC=CC2=N1)N CBR02342 [0,1,0,0,1,0|1,0,0]=3 370 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,1,0,0,1,0|1,0,0]=3 371 B12R2.202 CN1C=C2C(=CC=CC2=N1)Br SYX00128 [0,1,0,0,1,0|1,0,0]=3 372 B12R2.202 CN1C=C2C=CC=C(C2=N1)Br SYX00129 [0,1,0,0,1,0|1,0,0]=3 373 B12R2.202 CN1N=C2C=CC=C(C2=N1)N CBR01757 [0,1,0,0,1,0|2,0,0]=4 374 B12R2.202 ClC1=CC=CC2=C1N=C(S2)Cl R439088 [0,1,0,0,1,0|2,0,0]=4 375 B12R2.202 FC1=C2N=C(SC2=CC=C1)S ANV00208 [0,1,0,0,1,0|2,0,0]=4 376 B12R2.202 FC1=CC=CC2=C1SC(=N2)S ANV00148 [0,1,0,0,1,0|2,0,0]=4 377 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,1,0,0,1,0|2,0,0]=4 378 B12R2.202 NC1=NC2=C(S1)C=CC=C2Br CDS022134 [0,1,0,0,1,0|2,0,0]=4 379 B12R2.202 NC1=NC2=C(S1)C=CC=C2Cl S429481 [0,1,0,0,1,0|2,0,0]=4 380 B12R2.202 NC1=NC2=C(S1)C=CC=C2F CDS006997 [0,1,0,0,1,0|2,0,0]=4 381 B12R2.202 NC1=NC2=C(S1)C=CC=C2I CDS023501 [0,1,0,0,1,0|2,0,0]=4 382 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,1,0,0,1,0|1,0,0]=3 383 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,1,0,0,1,0|2,0,0]=4 384 B12R2.202 SC1=NC2=C(S1)C(=CC=C2)Cl ANV00145 [0,1,0,0,1,0|2,0,0]=4 385 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [0,1,0,0,1,0|2,0,0]=4 386 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,1,0,0,1,0|1,0,0]=3 387 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,1,0,0,1,0|2,0,0]=4 388 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,1,0,0,1,0|2,0,0]=4 389 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,0,1,0|1,0,0]=3 390 B12R2.606 CC1=CC2=CC(=CN=C2N1)Br ADE001092 [0,1,0,0,1,0|1,0,1]=4 391 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,0,1,0|0,0,1]=3 392 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [0,1,0,0,1,0|1,0,1]=4 393 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,1,0,0,1,0|2,0,0]=4 394 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,1,0,0,1,0|1,0,0]=3 395 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,1,0,0,1,0|1,0,0]=3 396 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,1,0,0,1,0|1,0,0]=3 397 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,0,1,0|1,0,0]=3 398 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,1,0,0,1,0|1,0,0]=3 399 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,1,0,0,1,0|1,0,0]=3 400 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,1,0,0,1,0|1,0,0]=3 401 B12R2.606 CN1C=C2C=CC(=CC2=N1)Br BML00257 [0,1,0,0,1,0|1,0,0]=3 402 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,1,0,0,1,0|2,0,0]=4 403 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [0,1,0,0,1,0|2,0,0]=4 404 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,1,0,0,1,0|1,0,0]=3 405 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,1,0,0,1,0|1,0,0]=3 406 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [0,1,0,0,1,0|2,0,0]=4 407 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [0,1,0,0,1,0|2,0,0]=4 408 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [0,1,0,0,1,0|2,0,0]=4 409 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [0,1,0,0,1,0|2,0,0]=4 410 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,1,0,0,1,0|2,0,0]=4 411 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [0,1,0,0,1,0|2,0,0]=4 412 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,1,0,0,1,0|2,0,0]=4 413 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,1,0,0,1,0|2,0,0]=4 414 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,1,0,0,1,0|2,0,0]=4 415 B12R2.44 N#CC1=CC=C2NC=CC2=N1 ADE000997 [0,1,0,0,1,0|1,0,1]=4 416 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,0,1,0|2,0,0]=4 417 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,1,0,0,1,0|2,0,0]=4 418 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,1,0,0,1,0|2,0,0]=4 419 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,1,0,0,1,0|2,0,0]=4 420 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,1,0,0,1,0|2,0,0]=4 421 B12R2.44 OCC1=CC=C2C=CNC2=N1 ADE001337 [0,1,0,0,1,0|1,0,0]=3 422 B12R2.100 ClC1=C(N=C2NC=CC2=C1)I ADE001094 [0,1,0,0,1,0|2,0,0]=4 423 B12R2.100 FC1=C(N=C2NC=CC2=C1)I ADE001071 [0,1,0,0,1,0|2,0,0]=4 424 B12R2.100 OC1=C(C=C2C=CNC2=N1)Cl ADE001308 [0,1,0,0,1,0|2,0,0]=4 425 B12R2.246 CC1=CC(=NC2=[N+]1C=CS2)C R662496 [0,1,0,0,1,0|2,0,0]=4 426 B12R2.246 CC1=CC(=NC2=[N+]1C=CS2)C S42960 [0,1,0,0,1,0|2,0,0]=4 427 B12R2.246 CC1=CC(=O)N2C=CSC2=N1 PH011692 [0,1,0,0,1,0|2,0,0]=4 428 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)Cl JRD0183 [0,1,0,0,1,0|2,0,0]=4 429 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)N JRD0185 [0,1,0,0,1,0|2,0,0]=4 430 B12R2.246 CC1=NC2=C(C=CS2)C(=N1)Cl JRD0215 [0,1,0,0,1,0|2,0,0]=4 431 B12R2.246 CC1=NC2=C(C=CS2)C(=O)N1 JRD0266 [0,1,0,0,1,0|2,0,0]=4 432 B12R2.246 CC1=NC2=C(SC=C2)C(=N1)Cl CBR01727 [0,1,0,0,1,0|2,0,0]=4 433 B14R2.93 CSC1=NCC2=CC=CC=C2CN1 PH013189 [0,1,0,0,0,1|1,0,1]=4 434 B14R2.93 ON=C1C=CC2=CC=CC=C2C=C1 T176516 [0,1,0,0,0,1|2,0,0]=4 435 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,1,0,0,0,1|2,0,0]=4 436 B14R2.738 CC1=NC2=C(C=CC=C2)N=C(C1)C R174289 [0,1,0,0,0,1|0,0,1]=3 437 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [0,1,0,0,0,1|0,0,0]=2 438 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [0,1,0,0,0,1|0,0,0]=2 439 B14R2.92 CCN1C=CC2=C(C1=S)C=CC=C2 L202746 [0,2,0,0,0,0|2,0,0]=4 440 B14R2.92 COC1=C(C2=C(C=C1)C=NC=C2)Br PH018816 [0,2,0,0,0,0|2,0,0]=4 441 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [0,2,0,0,0,0|1,0,0]=3 442 B14R2.92 O=C1C(=COC2=CC=CC=C12)CO PH007744 [0,2,0,0,0,0|2,0,0]=4 443 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [0,2,0,0,0,0|1,0,1]=4 444 B14R2.203 CCN1C(=O)C=CC2=C1C=CC=C2 S982296 [0,2,0,0,0,0|1,0,1]=4 445 B14R2.203 CC[N+]1=C(C=CC2=C1C=CC=C2)C S920290 [0,2,0,0,0,0|0,0,1]=3 446 B14R2.743 CC1(C(=O)C=CC2=C1C=CC=C2)O S956015 [0,2,0,0,0,0|2,0,0]=4 447 B14R2.4513 CC1=CC2=C(C=C1)OC=C(C2=O)Br JRD1474 [0,2,0,0,0,0|2,0,0]=4 448 B14R2.4513 CC1=CC=C2C=CC(=C(C2=N1)C)Br BBO000612 [0,2,0,0,0,0|0,0,0]=2 449 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C JRD0423 [0,2,0,0,0,0|2,0,0]=4 450 B14R2.4513 CC1=COC2=C(C1=O)C=C(C=C2)Cl JRD1304 [0,2,0,0,0,0|2,0,0]=4 451 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)Br JRD0424 [0,2,0,0,0,0|2,0,0]=4 452 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)F JRD0425 [0,2,0,0,0,0|2,0,0]=4 453 B14R2.7724 CC1=CC(=O)N(C2=C1C=CC=C2)C PH005171 [0,2,0,0,0,0|1,0,1]=4 454 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [0,2,0,0,0,0|0,0,1]=3 455 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [0,2,0,0,0,0|0,0,1]=3 456 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)[N+](=C1)[O-])[O-] R787469 [0,2,0,0,0,0|1,0,1]=4 457 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [0,2,0,0,0,0|2,0,0]=4 458 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [0,2,0,0,0,0|2,0,0]=4 459 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)Cl BBO000170 [0,2,0,0,0,0|2,0,0]=4 460 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [0,2,0,0,0,0|2,0,0]=4 461 B14R2.8188 CC1=C(C(=C2C=CC=NC2=N1)C)Br T314560 [0,2,0,0,0,0|1,0,0]=3 462 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,2,0,0,0,0|1,0,0]=3 463 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1C PH009348 [0,2,0,0,0,0|1,0,0]=3 464 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [0,2,0,0,0,0|1,0,0]=3 465 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [0,2,0,0,0,0|0,0,0]=2 466 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [0,2,0,0,0,0|0,0,0]=2 467 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [0,2,0,0,0,0|0,0,0]=2 468 B14R2.8188 CC1=NC2=CC=CC=C2C(=O)N1O R245895 [0,2,0,0,0,0|1,0,0]=3 469 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,2,0,0,0,0|2,0,0]=4 470 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)I R269794 [0,2,0,0,0,0|1,0,0]=3 471 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)N R268771 [0,2,0,0,0,0|1,0,0]=3 472 B14R2.29369 CC1=CC=C2C(=N1)C=CC(=C2N)C T319848 [0,2,0,0,0,0|0,0,0]=2 473 B14R2.112 Br/C=C\C1=NC2=C(C=CC=C2)C=C1 CFSS0017 [0,2,0,0,0,0|0,0,1]=3 474 B14R2.112 CCNC1=CC=C2C=CC=CC2=C1 CDS011399 [0,2,0,0,0,0|1,0,0]=3 475 B14R2.112 CCOC1=CC2=C(C=C1)N=CC=C2 S817899 [0,2,0,0,0,0|2,0,0]=4 476 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 T160180 [0,2,0,0,0,0|0,0,0]=2 477 B14R2.112 CCOC1=NC2=CC=CC=C2OC1 PH001429 [0,2,0,0,0,0|1,0,1]=4 478 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 CBR02295 [0,2,0,0,0,0|2,0,0]=4 479 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 CBR00241 [0,2,0,0,0,0|2,0,0]=4 480 B14R2.112 CNCC1=NC2=CC=CC=C2N=C1 CBR02452 [0,2,0,0,0,0|1,0,0]=3 481 B14R2.112 CSCC1=CC2=C(C=CC=C2)C=C1 S799173 [0,2,0,0,0,0|1,0,0]=3 482 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 L300306 [0,2,0,0,0,0|1,0,0]=3 483 B14R2.112 NNCC1=CC2=CC=CC=C2N=C1 PH019522 [0,2,0,0,0,0|2,0,0]=4 484 B14R2.112 O/N=C/C1=CC=C2C=CC=CC2=C1 PH009916 [0,2,0,0,0,0|1,0,1]=4 485 B14R2.112 OCCC1=NC2=C(C=CC=C2)C=C1 PH004940 [0,2,0,0,0,0|0,0,0]=2 486 B14R2.134 C(=O)C1=CC2=C(C=CC(=C2)C)C=C1 S943770 [0,2,0,0,0,0|1,0,0]=3 487 B14R2.134 CC1=CC2=CC(=CC=C2C=C1)C#N PH001896 [0,2,0,0,0,0|1,0,0]=3 488 B14R2.134 COC1=CC=C2C=CC(=NC2=C1)C BBO000218 [0,2,0,0,0,0|0,0,0]=2 489 B14R2.134 COC1=CC=C2N=CC(=CC2=C1)N BBO000579 [0,2,0,0,0,0|2,0,0]=4 490 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)N BBO000154 [0,2,0,0,0,0|2,0,0]=4 491 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)O BBO000208 [0,2,0,0,0,0|2,0,0]=4 492 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2C BBO000710 [0,2,0,0,0,0|2,0,0]=4 493 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2Cl BBO000696 [0,2,0,0,0,0|2,0,0]=4 494 B14R2.142 COC1=CC2=C(C=C1)OC=CC2=O PH000375 [0,2,0,0,0,0|2,0,0]=4 495 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)Br BBO000237 [0,2,0,0,0,0|2,0,0]=4 496 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)N BBO000076 [0,2,0,0,0,0|2,0,0]=4 497 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)O BBO000055 [0,2,0,0,0,0|2,0,0]=4 498 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=N1 CDS010639 [0,2,0,0,0,0|1,0,0]=3 499 B14R2.781 CC(Br)C1=CC2=C(C=CC=C2)C=C1 PH010426 [0,2,0,0,0,0|1,0,0]=3 500 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S365653 [0,2,0,0,0,0|1,0,0]=3 501 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S393320 [0,2,0,0,0,0|1,0,0]=3 502 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 CDS020343 [0,2,0,0,0,0|1,0,0]=3 503 B14R2.781 CC(N)C1=CC=C2N=CC=CC2=C1 PH018539 [0,2,0,0,0,0|2,0,0]=4 504 B14R2.781 CN(C)C1=NC2=C(C=CC=C2)C=C1 S820369 [0,2,0,0,0,0|0,0,0]=2 505 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=N1 CDS001881 [0,2,0,0,0,0|1,0,1]=4 506 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 BBO000660 [0,2,0,0,0,0|1,0,1]=4 507 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 R580694 [0,2,0,0,0,0|1,0,1]=4 508 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 S652083 [0,2,0,0,0,0|2,0,0]=4 509 B14R2.781 OB(O)C1=NC2=C(C=CC=C2)C=C1 CDS021932 [0,2,0,0,0,0|1,0,0]=3 510 B14R2.1019 CNC1=NC2=C(C=CC=C2)C(=O)O1 PH008463 [0,2,0,0,0,0|1,0,0]=3 511 B14R2.1019 ClCC1=NC2=CC=CC=C2C(=N1)Cl BBO000667 [0,2,0,0,0,0|1,0,0]=3 512 B14R2.1019 NCC1=NC(=C2C=CC=CC2=N1)O PH017876 [0,2,0,0,0,0|1,0,0]=3 513 B14R2.1019 NCC1=NC2=CC=CC=C2C(=O)N1 CBR01562 [0,2,0,0,0,0|1,0,0]=3 514 B14R2.1019 O=CC1=NC2=C(C=CC=C2)[N+](=C1)[O-] PH008269 [0,2,0,0,0,0|1,0,1]=4 515 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [0,2,0,0,0,0|0,0,1]=3 516 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S280526 [0,2,0,0,0,0|1,0,0]=3 517 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S302805 [0,2,0,0,0,0|1,0,0]=3 518 B14R2.1128 CC1=NC2=C(C=CC=C2)N=C1CCl TMT00452 [0,2,0,0,0,0|1,0,0]=3 519 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl BBO000255 [0,2,0,0,0,0|1,0,0]=3 520 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1N BBO000545 [0,2,0,0,0,0|1,0,0]=3 521 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl BBO000118 [0,2,0,0,0,0|1,0,0]=3 522 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=N S647632 [0,2,0,0,0,0|2,0,0]=4 523 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1N CDS016501 [0,2,0,0,0,0|1,0,0]=3 524 B14R2.1128 N#CC1=CC2=CC=CN=C2N=C1N ADE000830 [0,2,0,0,0,0|2,0,0]=4 525 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [0,2,0,0,0,0|1,0,1]=4 526 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [0,2,0,0,0,0|1,0,0]=3 527 B14R2.1801 CC[N+]1=CC2=C(C=C1)C(=CC=C2)O S533661 [0,2,0,0,0,0|2,0,0]=4 528 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [0,2,0,0,0,0|1,0,0]=3 529 B14R2.1801 COC1=CC2=NC=CC(=C2C=C1)Br BBO000276 [0,2,0,0,0,0|2,0,0]=4 530 B14R2.1801 COC1=CC=C2C(=CC=NC2=C1)N BBO000569 [0,2,0,0,0,0|2,0,0]=4 531 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 OTV000443 [0,2,0,0,0,0|2,0,0]=4 532 B14R2.2332 COC1=CC=C2C=C(C=NC2=C1)N BBO000640 [0,2,0,0,0,0|2,0,0]=4 533 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)Cl BBO000233 [0,2,0,0,0,0|1,0,0]=3 534 B14R2.2332 CSC1=NC2=CC=C(C=C2C=N1)Br PHB00125 [0,2,0,0,0,0|1,0,0]=3 535 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O CDS018120 [0,2,0,0,0,0|1,0,1]=4 536 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000197 [0,2,0,0,0,0|1,0,0]=3 537 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000095 [0,2,0,0,0,0|1,0,0]=3 538 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000132 [0,2,0,0,0,0|1,0,0]=3 539 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Br BBO000746 [0,2,0,0,0,0|1,0,0]=3 540 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Cl BBO000064 [0,2,0,0,0,0|1,0,0]=3 541 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)F BBO000065 [0,2,0,0,0,0|1,0,0]=3 542 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000563 [0,2,0,0,0,0|1,0,0]=3 543 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000137 [0,2,0,0,0,0|1,0,0]=3 544 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1N)F BBO000546 [0,2,0,0,0,0|1,0,0]=3 545 B14R2.8239 CC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000108 [0,2,0,0,0,0|1,0,0]=3 546 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)Cl BBO000107 [0,2,0,0,0,0|1,0,0]=3 547 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)N BBO000543 [0,2,0,0,0,0|1,0,0]=3 548 B14R2.8239 CC1=NC2=CC(=C(C=C2C=C1)C)C BBO000059 [0,2,0,0,0,0|0,0,0]=2 549 B14R2.8239 ClC1=CC2=C(C=C1)N=C(C(=N2)Cl)Cl PH016249 [0,2,0,0,0,0|2,0,0]=4 550 B14R2.8239 FC1=CC=C2N=C(C(=NC2=C1)Cl)Cl T100242 [0,2,0,0,0,0|2,0,0]=4 551 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [0,2,0,0,0,0|2,0,0]=4 552 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)Cl)Br BBO000652 [0,2,0,0,0,0|1,0,0]=3 553 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [0,2,0,0,0,0|0,0,0]=2 554 B14R2.29365 CC1=CC(=C2C=CC(=NC2=N1)O)C T151793 [0,2,0,0,0,0|1,0,0]=3 555 B14R2.29365 CC1=CC(=NC2=C1C=CC(=N2)O)O S437727 [0,2,0,0,0,0|2,0,0]=4 556 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,2,0,0,0,0|0,0,0]=2 557 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)Cl CBR01181 [0,2,0,0,0,0|1,0,0]=3 558 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [0,2,0,0,0,0|0,0,1]=3 559 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [0,2,0,0,0,0|1,0,1]=4 560 B14R2.29365 CC1=CC(=[O+]C2=C1C=CC(=C2)O)C S32949 [0,2,0,0,0,0|1,0,0]=3 561 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,2,0,0,0,0|1,0,0]=3 562 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,2,0,0,0,0|2,0,0]=4 563 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,2,0,0,0,0|0,0,0]=2 564 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1 R101850 [0,2,0,0,0,0|1,0,0]=3 565 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)O1 PH009098 [0,2,0,0,0,0|1,0,0]=3 566 B14R2.29365 CC1=NC2=CC(=CC(=C2C=C1)Cl)Cl BBO000184 [0,2,0,0,0,0|0,0,0]=2 567 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,2,0,0,0,0|0,0,0]=2 568 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,2,0,0,0,0|0,0,0]=2 569 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,2,0,0,0,0|0,0,0]=2 570 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,2,0,0,0,0|0,0,0]=2 571 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,2,0,0,0,0|0,0,0]=2 572 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,2,0,0,0,0|0,0,0]=2 573 B14R2.29365 CC1=NC2=CC(=CC=C2C(=N1)Cl)F CDS021178 [0,2,0,0,0,0|1,0,0]=3 574 B14R2.29365 CC1=NC2=CC(=CN=C2C(=N1)O)Br ADE000061 [0,2,0,0,0,0|2,0,0]=4 575 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,2,0,0,0,0|2,0,0]=4 576 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,2,0,0,0,0|0,0,0]=2 577 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,2,0,0,0,0|0,0,0]=2 578 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,2,0,0,0,0|0,0,0]=2 579 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,2,0,0,0,0|0,0,0]=2 580 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)Cl)C BBO000167 [0,2,0,0,0,0|2,0,0]=4 581 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)N)Cl BBO000160 [0,2,0,0,0,0|2,0,0]=4 582 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [0,2,0,0,0,0|2,0,0]=4 583 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)Cl BBO000037 [0,2,0,0,0,0|2,0,0]=4 584 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [0,2,0,0,0,0|1,0,0]=3 585 B14R2.8045 CC1=CC2=C(C=CN=C2C(=C1)Br)Cl BBO000314 [0,2,0,0,0,0|2,0,0]=4 586 B14R2.8045 CC1=CC=C[N+]2=C1N=C(C=C2C)C R606456 [0,2,0,0,0,0|1,0,0]=3 587 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,2,0,0,0,0|0,0,0]=2 588 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,2,0,0,0,0|0,0,0]=2 589 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,2,0,0,0,0|0,0,0]=2 590 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,2,0,0,0,0|0,0,0]=2 591 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,2,0,0,0,0|0,0,0]=2 592 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,2,0,0,0,0|0,0,0]=2 593 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,2,0,0,0,0|0,0,0]=2 594 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,2,0,0,0,0|0,0,0]=2 595 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,2,0,0,0,0|0,0,0]=2 596 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,2,0,0,0,0|0,0,0]=2 597 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,2,0,0,0,0|1,0,0]=3 598 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,2,0,0,0,0|0,0,0]=2 599 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,2,0,0,0,0|1,0,0]=3 600 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,2,0,0,0,0|1,0,0]=3 601 B14R2.8235 CC1=CC(=NC2=[N+]1C=C(C=C2)Br)C S29883 [0,2,0,0,0,0|1,0,0]=3 602 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,2,0,0,0,0|1,0,0]=3 603 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,2,0,0,0,0|0,0,0]=2 604 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,2,0,0,0,0|1,0,0]=3 605 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,2,0,0,0,0|1,0,0]=3 606 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,2,0,0,0,0|2,0,0]=4 607 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,2,0,0,0,0|1,0,0]=3 608 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,2,0,0,0,0|0,0,0]=2 609 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,2,0,0,0,0|0,0,0]=2 610 B14R2.8235 CC1=CC=C2N=C(NC(=O)C2=C1)N CDS000937 [0,2,0,0,0,0|2,0,0]=4 611 B14R2.8235 CC1=CN2C(=O)C=C(N=C2C=C1)O T324647 [0,2,0,0,0,0|2,0,0]=4 612 B14R2.8235 CC1=NC(=C2C=C(C=CC2=N1)F)Cl CDS021119 [0,2,0,0,0,0|1,0,0]=3 613 B14R2.8235 CC1=NC2=C(C=C(C=C2)Br)C(=O)O1 PH006909 [0,2,0,0,0,0|1,0,0]=3 614 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,2,0,0,0,0|0,0,0]=2 615 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 S188131 [0,2,0,0,0,0|1,0,0]=3 616 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)O1 PH004008 [0,2,0,0,0,0|1,0,0]=3 617 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,2,0,0,0,0|0,0,0]=2 618 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,2,0,0,0,0|0,0,0]=2 619 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,2,0,0,0,0|0,0,0]=2 620 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,2,0,0,0,0|0,0,0]=2 621 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,2,0,0,0,0|0,0,0]=2 622 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,2,0,0,0,0|0,0,0]=2 623 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,2,0,0,0,0|0,0,0]=2 624 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,2,0,0,0,0|0,0,0]=2 625 B14R2.8235 NC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 PH008190 [0,2,0,0,0,0|2,0,0]=4 626 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,2,0,0,0,0|2,0,0]=4 627 B14R2.8751 CC1=CC=C2C(=CC=C(C2=N1)O)Cl PH008835 [0,2,0,0,0,0|0,0,0]=2 628 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)Cl)C BBO000188 [0,2,0,0,0,0|0,0,0]=2 629 B14R2.11684 CC1=CC=C2C=CC=C(C2=N1)NN PH018443 [0,2,0,0,0,0|0,0,0]=2 630 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 IDF00005 [0,2,0,0,0,0|2,0,0]=4 631 B14R2.11684 COC1=CC=CC2=C1N=C(C=C2)C S770345 [0,2,0,0,0,0|0,0,0]=2 632 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)Cl CDS009012 [0,2,0,0,0,0|1,0,0]=3 633 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,2,0,0,0,0|2,0,0]=4 634 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)N)C BBO000565 [0,2,0,0,0,0|2,0,0]=4 635 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)O)C BBO000192 [0,2,0,0,0,0|2,0,0]=4 636 B14R2.28472 CC1=C(C=C2C(=O)C=COC2=C1)Cl IDF00013 [0,2,0,0,0,0|2,0,0]=4 637 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)Cl BBO000607 [0,2,0,0,0,0|2,0,0]=4 638 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)N BBO000608 [0,2,0,0,0,0|2,0,0]=4 639 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,2,0,0,0,0|1,0,0]=3 640 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,2,0,0,0,0|1,0,0]=3 641 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)Cl BBO000605 [0,2,0,0,0,0|2,0,0]=4 642 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)N BBO000606 [0,2,0,0,0,0|2,0,0]=4 643 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [0,2,0,0,0,0|2,0,0]=4 644 B14R2.1146 OC1=CC(=C2C=CC=CC2=N1)CBr PH015678 [0,2,0,0,0,0|1,0,0]=3 645 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C BBO000165 [0,2,0,0,0,0|2,0,0]=4 646 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)N)C BBO000152 [0,2,0,0,0,0|2,0,0]=4 647 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [0,2,0,0,0,0|2,0,0]=4 648 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [0,2,0,0,0,0|0,0,1]=3 649 B14R2.28480 CC1=CC(=O)N2C(=CC=CC2=N1)C T143529 [0,2,0,0,0,0|1,0,0]=3 650 B14R2.28480 CC1=CC2=NC=CC(=C2C(=C1)C)Br BBO000593 [0,2,0,0,0,0|2,0,0]=4 651 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [0,0,1,1,0,0|1,0,1]=4 652 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,1,0,1,0,0|1,0,1]=4 653 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,1,0,1,0|1,0,0]=3 654 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,0,1,0,1,0|1,0,0]=3 655 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,0,1,0|2,0,0]=4 656 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,1,0|1,0,0]=3 657 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,1,0|1,0,0]=3 658 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,1,0|1,0,1]=4 659 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,1,0|1,0,1]=4 660 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,1,0|2,0,0]=4 661 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,1,0|2,0,0]=4 662 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [1,0,0,0,1,0|2,0,0]=4 663 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [1,0,0,0,1,0|2,0,0]=4 664 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,1,0|1,0,0]=3 665 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,0,1,0|2,0,0]=4 666 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [1,0,0,0,1,0|2,0,0]=4 667 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [1,0,0,0,1,0|2,0,0]=4 668 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,0,1,0|1,0,1]=4 669 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,0,2,0|1,0,1]=4 670 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,0,1,0,0,1|1,0,0]=3 671 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,1,0,0,1|1,0,1]=4 672 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,1,0,0,1|2,0,0]=4 673 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,1,0,0,1|2,0,0]=4 674 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [0,0,1,0,0,1|2,0,0]=4 675 B14R2.280 O=C1C=CC2=CC=CC=C2C=CN1 T176486 [0,0,0,0,0,2|1,0,1]=4 676 B14R2.391 O=C1C=CC=CC2=CC=CC=C2N1 T176494 [0,0,0,0,0,2|1,0,1]=4