0 B12R2.100 BrC1=C(C=C2NN=NC2=C1)Br R229741 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S30709 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S435325 [0,0,0,0,0,0|1,0,1]=2 4 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.100 ClC1=C(N=C2NC=CC2=C1)I ADE001094 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.100 ClC1=CC2=C(C=C1Cl)SN=N2 S945153 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.100 FC1=C(N=C2NC=CC2=C1)I ADE001071 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.100 N1C=NC2=C1C=C(C(=C2)Cl)C S274585 [0,0,0,0,0,0|1,0,0]=1 10 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 CDS020200 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.100 OC1=C(C=C2C=CNC2=N1)Cl ADE001308 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.36 BrC1=CC2=NC=NN2C=C1 SYX00403 [1,0,0,0,0,0|2,0,1]=4 17 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 BrC1=CN2N=CN=C2C=C1 SYX00141 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,0,0,0|1,0,1]=3 28 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [1,0,0,0,0,0|1,0,0]=2 29 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [1,0,0,0,0,0|1,0,1]=3 32 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,0,0,0|2,0,1]=4 36 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [1,0,0,0,0,0|2,0,0]=3 46 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,0,0,0|2,0,1]=4 48 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [1,0,0,0,0,0|1,0,0]=2 49 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.36 N1C=NC2=C1N=CC(=C2)Br ANV00244 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [1,0,0,0,0,0|1,0,0]=2 55 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [1,0,0,0,0,0|2,0,0]=3 56 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [1,0,0,0,0,0|2,0,0]=3 57 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,0,0,0|2,0,1]=4 58 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [1,0,0,0,0,0|2,0,1]=4 61 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [1,0,0,0,0,0|1,0,0]=2 62 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,0,0,0,0,0|3,0,0]=4 64 B13R2.599 COC1=C(C=C2C=NNC2=C1)Br SYX00190 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.599 OCC1=C(C=C2C=CNC2=N1)Cl ADE001390 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.4899 CC1=C(C(=C2NC=NC2=C1)N)C CBR01337 [0,1,0,0,0,0|0,0,0]=1 68 B13R2.4899 CC1=C(C=C2NC=NC2=C1C)N CBR01356 [0,1,0,0,0,0|1,0,0]=2 69 B13R2.4899 N1N=CC2=C1C(=C(C(=C2)Br)C)Br S275441 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.11634 CC1=CC2=C(C=NN2C)C=C1Br CDS020525 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.11634 CC1=CC2=NO[N+](=C2C=C1C)[O-] PH009211 [0,1,0,0,0,0|1,0,1]=3 72 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,1,0,0,0,0|1,0,0]=2 73 B13R2.13083 CC1=CC2=C(C=C1C)NC(=S)N2 R552097 [0,1,0,0,0,0|0,0,1]=2 74 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C S439428 [0,1,0,0,0,0|1,0,0]=2 75 B13R2.13083 CC1=CC2=C(C=C1C)SC(=N)N2 R520578 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)C S544353 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)O JRD1496 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.13083 CC1=CN2C=C(C(=CC2=N1)C)Br OTV000749 [0,1,0,0,0,0|3,0,0]=4 79 B13R2.13083 CC1=NC2=C(C=C1Br)NC(=N2)O S136891 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.13083 CC1=NC2=CC(=C(C=C2S1)C)C R367850 [0,1,0,0,0,0|1,0,0]=2 81 B13R2.13083 NC1=CC2=C(C=C1N)NC(=O)N2 CBR00196 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.13083 O=C1NC2=C(N1)C=C(C(=C2)Cl)Cl PH010069 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.13083 SC1=NC2=C(N1)C=C(C(=C2)Cl)Cl PH011040 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [0,0,1,0,0,0|1,0,0]=2 89 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [0,0,1,0,0,0|3,0,0]=4 90 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [0,0,1,0,0,0|2,0,0]=3 92 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,0,1,0,0,0|1,0,1]=3 93 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,0,1,0,0,0|2,0,0]=3 94 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [0,0,1,0,0,0|3,0,0]=4 95 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,0,1,0,0,0|3,0,0]=4 96 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,0,1,0,0,0|2,0,1]=4 98 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,0,1,0,0,0|2,0,1]=4 99 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,0,1,0,0,0|2,0,1]=4 100 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,0,0,0,0,1|2,0,0]=3 101 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [0,0,0,0,0,1|0,0,1]=2 102 B13R2.369 CC1=CC2=C(C=C1C)NCCN2 OTV000463 [0,0,0,0,0,1|0,0,2]=3 103 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [1,0,1,0,0,0|2,0,0]=4 105 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,0,1,0,0,0|1,0,0]=3 106 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,1,0,0,0|2,0,0]=4 107 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,0,1,0,0,0|2,0,0]=4 108 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,0,1,0,0,0|2,0,0]=4 109 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,0,1,0,0,0|1,0,0]=3 110 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,0,1,0,0,0|2,0,0]=4 111 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [1,0,1,0,0,0|2,0,0]=4 113 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,0,1,0,0,0|0,0,1]=3 114 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,0,1,0,0,0|1,0,1]=4 115 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,0,1,0,0,0|2,0,0]=4 116 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,0,1,0,0,0|0,0,2]=4 117 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,0,1,0,0,0|2,0,0]=4 118 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,0,1,0,0,0|0,0,2]=4 119 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [1,0,1,0,0,0|1,0,1]=4 120 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [1,0,1,0,0,0|2,0,0]=4 121 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [1,0,1,0,0,0|1,0,1]=4 122 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [1,0,1,0,0,0|1,0,1]=4 123 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [1,0,1,0,0,0|1,0,0]=3 124 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [1,0,1,0,0,0|2,0,0]=4 125 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [1,0,1,0,0,0|1,0,1]=4 127 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [1,0,1,0,0,0|1,0,1]=4 128 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [1,0,1,0,0,0|1,0,1]=4 129 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [1,0,1,0,0,0|1,0,1]=4 130 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [2,0,0,0,0,0|1,0,0]=3 131 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [2,0,0,0,0,0|1,0,1]=4 132 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [2,0,0,0,0,0|1,0,0]=3 133 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [2,0,0,0,0,0|2,0,0]=4 134 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [2,0,0,0,0,0|2,0,0]=4 135 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [2,0,0,0,0,0|1,0,1]=4 136 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [2,0,0,0,0,0|2,0,0]=4 137 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [2,0,0,0,0,0|1,0,1]=4 138 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,1,1,0,0,0|2,0,0]=4 139 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,1,0,0,0|2,0,0]=4 140 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,1,0,0,0|2,0,0]=4 141 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,1,0,0,0|2,0,0]=4 142 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,1,1,0,0,0|2,0,0]=4 143 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,1,0,0,0|2,0,0]=4 144 B12R1.19 CC1=C(C=C(C=C1)NC(=S)N)C R610909 [0,1,1,0,0,0|0,0,1]=3 145 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,1,0,0,0|0,0,1]=3 146 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,1,0,0,0|1,0,1]=4 147 B12R1.19 N=C(N)NC1=CC=C(C(=C1)Cl)Cl S614629 [0,1,1,0,0,0|2,0,0]=4 148 B12R1.449 COC1=CC(=C(C=C1N)C)OC PH008820 [0,1,1,0,0,0|1,0,1]=4 149 B12R2.44 BrCC1=CC2=NSN=C2C=C1 CDS021526 [1,1,0,0,0,0|1,0,1]=4 150 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [1,1,0,0,0,0|2,0,0]=4 151 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [1,1,0,0,0,0|1,0,1]=4 152 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [1,1,0,0,0,0|2,0,0]=4 153 B12R2.44 ClCC1=CN=C2NC=CC2=C1 ADE000894 [1,1,0,0,0,0|2,0,0]=4 154 B12R2.44 N#CC1=CC2=C(C=C1)NC=N2 JRD0289 [1,1,0,0,0,0|0,0,1]=3 155 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [1,1,0,0,0,0|2,0,0]=4 156 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [1,1,0,0,0,0|2,0,0]=4 157 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [1,1,0,0,0,0|1,0,0]=3 158 B12R2.44 NCC1=CC2=NSN=C2C=C1 CBR02294 [1,1,0,0,0,0|1,0,1]=4 159 B12R2.44 NCC1=CC=C2NN=CC2=C1 CDS010163 [1,1,0,0,0,0|2,0,0]=4 160 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [1,1,0,0,0,0|1,0,0]=3 161 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [1,1,0,0,0,0|2,0,0]=4 162 B12R2.44 OCC1=CC2=NSN=C2C=C1 CDS017023 [1,1,0,0,0,0|1,0,1]=4 163 B12R2.44 OCC1=CC=C2C=CNC2=N1 ADE001337 [1,1,0,0,0,0|2,0,0]=4 164 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [1,1,0,0,0,0|2,0,0]=4 165 B12R2.44 OCC1=CC=C2NC=NC2=C1 CDS015837 [1,1,0,0,0,0|0,0,0]=2 166 B12R2.44 OCC1=CN2C=CN=C2C=C1 CDS018509 [1,1,0,0,0,0|2,0,0]=4 167 B12R2.44 OCC1=CN=C2C=CNC2=C1 ADE000963 [1,1,0,0,0,0|2,0,0]=4 168 B12R2.44 OCC1=CN=C2NC=CC2=C1 ADE000893 [1,1,0,0,0,0|2,0,0]=4 169 B12R2.82 CC1=C(C2=NSN=C2C=C1)N CBR01504 [1,1,0,0,0,0|1,0,1]=4 170 B12R2.82 CC1=CN=C2NC=CC2=C1Cl ADE000979 [1,1,0,0,0,0|2,0,0]=4 171 B12R2.132 CC1=CN=C2NC=C(C2=C1)I ADE000940 [1,1,0,0,0,0|2,0,0]=4 172 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [1,1,0,0,0,0|2,0,0]=4 173 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [1,1,0,0,0,0|1,0,0]=3 174 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [1,1,0,0,0,0|1,0,0]=3 175 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [1,1,0,0,0,0|1,0,0]=3 176 B12R2.246 CC1=CN2C=CN=C2C(=C1)I ADE001436 [1,1,0,0,0,0|2,0,0]=4 177 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [1,1,0,0,0,0|2,0,0]=4 178 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [1,1,0,0,0,0|2,0,0]=4 179 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [1,1,0,0,0,0|1,0,0]=3 180 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [1,1,0,0,0,0|1,0,0]=3 181 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [1,1,0,0,0,0|1,0,0]=3 182 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [1,1,0,0,0,0|1,0,0]=3 183 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,1,0,0,0,0|2,0,0]=4 184 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [1,1,0,0,0,0|2,0,0]=4 185 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [1,1,0,0,0,0|0,0,0]=2 186 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [1,1,0,0,0,0|2,0,0]=4 187 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [1,1,0,0,0,0|1,0,0]=3 188 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [1,1,0,0,0,0|2,0,0]=4 189 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [1,1,0,0,0,0|1,0,0]=3 190 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [1,1,0,0,0,0|2,0,0]=4 191 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [1,1,0,0,0,0|2,0,0]=4 192 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [1,1,0,0,0,0|2,0,0]=4 193 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [1,1,0,0,0,0|2,0,0]=4 194 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [1,1,0,0,0,0|1,0,1]=4 195 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [1,1,0,0,0,0|1,0,0]=3 196 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [1,1,0,0,0,0|1,0,0]=3 197 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [1,1,0,0,0,0|1,0,0]=3 198 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [1,1,0,0,0,0|1,0,1]=4 199 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [1,1,0,0,0,0|2,0,0]=4 200 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [1,1,0,0,0,0|1,0,0]=3 201 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [1,1,0,0,0,0|1,0,0]=3 202 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [1,1,0,0,0,0|2,0,0]=4 203 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [1,1,0,0,0,0|2,0,0]=4 204 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [1,1,0,0,0,0|2,0,0]=4 205 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [1,1,0,0,0,0|2,0,0]=4 206 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,1,0,0,0,0|2,0,0]=4 207 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [1,1,0,0,0,0|2,0,0]=4 208 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [1,1,0,0,0,0|2,0,0]=4 209 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [1,1,0,0,0,0|2,0,0]=4 210 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [1,1,0,0,0,0|1,0,1]=4 211 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [1,1,0,0,0,0|1,0,0]=3 212 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [1,1,0,0,0,0|1,0,0]=3 213 B12R2.606 OC1=NC2=CC(=CN=C2N1)Br ADE001244 [1,1,0,0,0,0|2,0,0]=4 214 B12R2.606 OC1=NC2=NC=C(C=C2N1)Br T316016 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [1,1,0,0,0,0|2,0,0]=4 216 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [1,1,0,0,0,0|1,0,0]=3 217 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [1,1,0,0,0,0|1,0,0]=3 219 B12R2.612 CN1C=NC2=CC(=CN=C12)Br ADE001214 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.612 CN1C=NC2=CC(=CN=C12)Cl ADE001227 [1,1,0,0,0,0|2,0,0]=4 221 B12R2.612 CN1C=NC2=CC(=CN=C12)I ADE001215 [1,1,0,0,0,0|2,0,0]=4 222 B12R2.612 CN1C=NC2=CC(=CN=C12)N ADE001231 [1,1,0,0,0,0|2,0,0]=4 223 B12R2.612 CN1C=NC2=CC(=CN=C12)O ADE001223 [1,1,0,0,0,0|2,0,0]=4 224 B12R2.612 CN1N=NC2=C1C=CC(=C2)N CBR01799 [1,1,0,0,0,0|2,0,0]=4 225 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S280526 [0,1,0,0,0,1|2,0,0]=4 226 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S302805 [0,1,0,0,0,1|2,0,0]=4 227 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,1,0,0,0,1|2,0,0]=4 228 B14R2.8239 CC1=NC2=CC(=C(C=C2C=C1)C)C BBO000059 [0,1,0,0,0,1|1,0,0]=3 229 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,1,0,0,0,1|1,0,0]=3 230 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)N)C BBO000565 [0,1,0,0,0,1|1,0,0]=3 231 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)O)C BBO000192 [0,1,0,0,0,1|1,0,0]=3 232 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)Cl BBO000607 [0,1,0,0,0,1|2,0,0]=4 233 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)N BBO000608 [0,1,0,0,0,1|2,0,0]=4 234 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)Cl BBO000605 [0,1,0,0,0,1|2,0,0]=4 235 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)N BBO000606 [0,1,0,0,0,1|2,0,0]=4 236 B14R2.28472 NC1=CC2=C(C=C1F)N=CNC2=O T322687 [0,1,0,0,0,1|2,0,0]=4 237 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 CDS016371 [0,2,0,0,0,0|0,0,0]=2 238 B14R2.1197 COC1=CC2=C(C=C1N)NC(=O)N2 CBR01626 [0,2,0,0,0,0|1,0,1]=4 239 B14R2.5591 CC1=C(C(=O)C2=NSN=C2C1=O)C T305340 [0,2,0,0,0,0|1,0,1]=4 240 B14R2.645 CC1=CC2=C(C=C1Br)NC(=O)C2=O R396656 [0,2,0,0,0,0|2,0,0]=4 241 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S394726 [0,2,0,0,0,0|2,0,0]=4 242 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S981559 [0,2,0,0,0,0|2,0,0]=4 243 B14R2.12145 CC1=CC2=C(C=C1C)N(C=N2)CO S346756 [0,2,0,0,0,0|0,0,0]=2 244 B14R2.38360 CC1=CC2=C(C=C1C)NC(=N2)CN CBR01235 [0,2,0,0,0,0|0,0,0]=2 245 B14R2.38360 CCC1=NC2=CC(=C(C=C2N1)Br)Br R229903 [0,2,0,0,0,0|2,0,0]=4 246 B14R2.38360 N1C(=NC2=C1C=C(C(=C2)C)C)CC S346993 [0,2,0,0,0,0|0,0,0]=2 247 B14R2.38360 N1C(=NC2=C1C=C(C(=C2)C)C)CN S341185 [0,2,0,0,0,0|0,0,0]=2 248 B14R2.38360 N1C(=NC2=C1C=C(C(=C2)C)C)CO S361046 [0,2,0,0,0,0|0,0,0]=2 249 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [1,0,0,0,0,1|0,0,1]=3 250 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [1,0,0,0,0,1|1,0,0]=3 251 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [1,0,0,0,0,1|1,0,1]=4 252 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [1,0,0,0,0,1|2,0,0]=4 253 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [1,0,0,0,0,1|2,0,0]=4 254 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [1,0,0,0,0,1|2,0,0]=4 255 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [1,0,0,0,0,1|2,0,0]=4 256 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,0,0,0,0,1|2,0,0]=4 257 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,0,0,0,0,1|2,0,0]=4 258 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,0,0,0,0,1|2,0,0]=4