0 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,0,0,0,0,0|2,0,1]=3 2 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.36 BrC1=CC2=C(C=NN2)N=C1 BLN00048 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.36 BrC1=CC2=NC=NN2C=C1 SYX00403 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,0,0,0,0,0|2,0,1]=3 12 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.36 BrC1=CN2C=NN=C2C=C1 SYX00142 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.36 BrC1=CN2N=CN=C2C=C1 SYX00141 [0,0,0,0,0,0|2,0,1]=3 15 B11R2.36 BrC1=CN2N=CN=C2N=C1 CBR02199 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,0,0,0,0,0|4,0,0]=4 18 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,0,0,0,0,0|4,0,0]=4 19 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,0,0,0,0,0|3,0,0]=3 20 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,0,0,0,0,0|3,0,1]=4 21 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,0,0,0,0,0|1,0,2]=3 22 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,0,0,0,0,0|1,0,2]=3 23 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,0,0,0,0,0|3,0,1]=4 24 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,0,0,0,0,0|2,0,1]=3 25 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,0,0,0,0,0|1,0,1]=2 26 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,0,0,0|2,0,0]=2 27 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,0,0,0,0,0|2,0,1]=3 28 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,0,0,0,0,0|3,0,1]=4 29 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,0,0,0,0,0|2,0,2]=4 30 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,0,0,0,0,0|3,0,1]=4 31 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,0,0,0,0,0|3,0,0]=3 33 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [0,0,0,0,0,0|3,0,0]=3 34 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,0,0,0,0,0|3,0,1]=4 36 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,0,0,0,0,0|4,0,0]=4 39 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [0,0,0,0,0,0|3,0,1]=4 40 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,0,0,0,0,0|4,0,0]=4 41 B11R2.36 ClC1=NN2C=CN=C2C=C1 CDS005940 [0,0,0,0,0,0|4,0,0]=4 42 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,0,0,0,0,0|2,0,2]=4 43 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,0,0,0,0,0|2,0,1]=3 44 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,0,0,0,0,0|3,0,0]=3 45 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,0,0,0,0,0|2,0,1]=3 46 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,0,0,0,0,0|1,0,2]=3 47 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [0,0,0,0,0,0|3,0,1]=4 48 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,0,0,0,0,0|2,0,1]=3 49 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,0,0,0,0,0|3,0,1]=4 50 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,0,0,0,0,0|3,0,1]=4 51 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,0,0,0,0,0|3,0,1]=4 52 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [0,0,0,0,0,0|3,0,0]=3 53 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [0,0,0,0,0,0|3,0,1]=4 55 B11R2.36 N1C=NC2=C1N=CC(=C2)Br ANV00244 [0,0,0,0,0,0|2,0,2]=4 56 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,0,0,0,0,0|3,0,1]=4 57 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,0,0,0,0,0|1,0,2]=3 58 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,0,0,0,0,0|2,0,2]=4 59 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,0,0,0,0,0|2,0,0]=2 60 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,0,0,0,0,0|2,0,2]=4 61 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [0,0,0,0,0,0|3,0,0]=3 62 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,0,0,0,0,0|3,0,1]=4 63 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,0,0,0,0,0|2,0,1]=3 64 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,0,0,0,0,0|1,0,2]=3 65 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,0,0,0,0,0|3,0,0]=3 66 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,0,0,0,0,0|4,0,0]=4 67 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [0,0,0,0,0,0|3,0,1]=4 68 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [0,0,0,0,0,0|4,0,0]=4 69 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,0,0|1,0,0]=2 70 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,0,0,0|1,0,1]=3 71 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,0,0|1,0,0]=2 72 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|2,0,0]=3 73 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,0,0,0|3,0,0]=4 74 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,0,0|2,0,0]=3 75 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,0,0,0|3,0,0]=4 76 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,0,0|3,0,0]=4 77 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [1,0,0,0,0,0|1,0,1]=3 78 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [1,0,0,0,0,0|3,0,0]=4 79 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,0,0|2,0,0]=3 80 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,0,0,0|3,0,0]=4 81 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,0,0,0|1,0,1]=3 82 B12R2.44 BrCC1=CC2=NSN=C2C=C1 CDS021526 [0,1,0,0,0,0|1,0,1]=3 83 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [0,1,0,0,0,0|2,0,0]=3 84 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,1,0,0,0,0|2,0,1]=4 85 B12R2.44 C(=O)C1=CN2C=CN=C2C=C1 CDS016444 [0,1,0,0,0,0|2,0,1]=4 86 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,1,0,0,0,0|1,0,2]=4 87 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,1,0,0,0,0|2,0,1]=4 88 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [0,1,0,0,0,0|2,0,1]=4 89 B12R2.44 ClCC1=CN=C2NC=CC2=C1 ADE000894 [0,1,0,0,0,0|2,0,1]=4 90 B12R2.44 N#CC1=CC2=C(C=C1)NC=N2 JRD0289 [0,1,0,0,0,0|0,0,3]=4 91 B12R2.44 N#CC1=CN=C2C=CNC2=C1 ADE000948 [0,1,0,0,0,0|2,0,1]=4 92 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,0,0,0|2,0,0]=3 93 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,1,0,0,0,0|2,0,0]=3 94 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,1,0,0,0,0|1,0,0]=2 95 B12R2.44 NCC1=CC2=NSN=C2C=C1 CBR02294 [0,1,0,0,0,0|1,0,1]=3 96 B12R2.44 NCC1=CC=C2NN=CC2=C1 CDS010163 [0,1,0,0,0,0|2,0,1]=4 97 B12R2.44 O=CC1=CC2=NON=C2C=C1 CDS016203 [0,1,0,0,0,0|1,0,2]=4 98 B12R2.44 O=CC1=CN=C2C=CNC2=C1 ADE000961 [0,1,0,0,0,0|2,0,1]=4 99 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,1,0,0,0,0|1,0,1]=3 100 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,1,0,0,0,0|2,0,0]=3 102 B12R2.44 OCC1=CC2=NSN=C2C=C1 CDS017023 [0,1,0,0,0,0|1,0,1]=3 103 B12R2.44 OCC1=CC=C2C=CNC2=N1 ADE001337 [0,1,0,0,0,0|2,0,0]=3 104 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [0,1,0,0,0,0|2,0,0]=3 105 B12R2.44 OCC1=CC=C2NC=NC2=C1 CDS015837 [0,1,0,0,0,0|0,0,2]=3 106 B12R2.44 OCC1=CN2C=CN=C2C=C1 CDS018509 [0,1,0,0,0,0|2,0,0]=3 107 B12R2.44 OCC1=CN=C2C=CNC2=C1 ADE000963 [0,1,0,0,0,0|2,0,0]=3 108 B12R2.44 OCC1=CN=C2NC=CC2=C1 ADE000893 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [0,1,0,0,0,0|2,0,1]=4 110 B12R2.82 CC1=C(C2=NSN=C2C=C1)N CBR01504 [0,1,0,0,0,0|1,0,1]=3 111 B12R2.82 CC1=C(C=CC2=NC=NN12)Br SYX00182 [0,1,0,0,0,0|2,0,1]=4 112 B12R2.82 CC1=CN=C2NC=CC2=C1Cl ADE000979 [0,1,0,0,0,0|2,0,1]=4 113 B12R2.82 NC1=C(C=CC2=NSN=C12)Cl CDS000033 [0,1,0,0,0,0|2,0,1]=4 114 B12R2.100 BrC1=C(C=C2NN=NC2=C1)Br R229741 [0,1,0,0,0,0|2,0,0]=3 115 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [0,1,0,0,0,0|2,0,0]=3 116 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S30709 [0,1,0,0,0,0|1,0,1]=3 117 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S435325 [0,1,0,0,0,0|1,0,1]=3 118 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [0,1,0,0,0,0|1,0,0]=2 119 B12R2.100 ClC1=C(N=C2NC=CC2=C1)I ADE001094 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.100 ClC1=CC2=C(C=C1Cl)SN=N2 S945153 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [0,1,0,0,0,0|1,0,0]=2 122 B12R2.100 FC1=C(N=C2NC=CC2=C1)I ADE001071 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.100 N1C=NC2=C1C=C(C(=C2)Cl)C S274585 [0,1,0,0,0,0|0,0,0]=1 124 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 CDS020200 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.100 OC1=C(C=C2C=CNC2=N1)Cl ADE001308 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,1,0,0,0,0|2,0,0]=3 127 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.132 CC1=CN=C2NC=C(C2=C1)I ADE000940 [0,1,0,0,0,0|2,0,1]=4 129 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,0,0,0|2,0,1]=4 130 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,1,0,0,0,0|1,0,0]=2 133 B12R2.132 CN1N=CC2=CC=C(C=C12)N CDS009694 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.132 ClC1=CN2C(=CN=C2C=C1)Br ANV00107 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.246 BrC1=CN2C=CN=C2C(=C1)I ADE001431 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.246 CC1=CC(=CC2=C1C=NN2)Br CDS022566 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [0,1,0,0,0,0|1,0,0]=2 138 B12R2.246 CC1=CC(=CN2C1=NC=C2)Br CBR02032 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.246 CC1=CC(=CN2C1=NC=N2)Br SYX00183 [0,1,0,0,0,0|2,0,1]=4 140 B12R2.246 CC1=CC(=NC2=[N+]1N=CS2)C R607029 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.246 CC1=CC(=NC2=[N+]1N=CS2)C S33031 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.246 CC1=CC2=C(C=CO2)C(=O)O1 T271020 [0,1,0,0,0,0|3,0,0]=4 143 B12R2.246 CC1=CN2C=CN=C2C(=C1)I ADE001436 [0,1,0,0,0,0|2,0,0]=3 144 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)Cl JRD0183 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)N JRD0185 [0,1,0,0,0,0|3,0,0]=4 146 B12R2.246 ClC1=CC2=C(C=NN2)C(=C1)I PHB00098 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.246 FC1=C2C=NNC2=CC(=C1)Br SYX00189 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.246 N1C=NC2=C1N=C(N=C2O)S S448524 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,1,0,0,0,0|2,0,1]=4 150 B12R2.246 NC1=NC(=NC2=C1N=CN2)O CDS000009 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.246 SC1=NC2=C(N=CN2)C(=N1)S S459070 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [0,1,0,0,0,0|2,0,0]=3 153 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,1,0,0,0,0|1,0,0]=2 154 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,1,0,0,0,0|1,0,0]=2 155 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,1,0,0,0,0|1,0,0]=2 156 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,1,0,0,0,0|1,0,1]=3 157 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,0,0,0|2,0,0]=3 159 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,1,0,0,0,0|2,0,1]=4 161 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,1,0,0,0,0|0,0,2]=3 162 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,1,0,0,0,0|1,0,2]=4 164 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,1,0,0,0,0|2,0,1]=4 165 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,0,0,0|1,0,0]=2 166 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,1,0,0,0,0|2,0,0]=3 167 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,1,0,0,0,0|2,0,0]=3 168 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,1,0,0,0,0|2,0,0]=3 169 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,1,0,0,0,0|2,0,0]=3 170 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [0,1,0,0,0,0|1,0,1]=3 171 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [0,1,0,0,0,0|1,0,2]=4 172 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,1,0,0,0,0|1,0,2]=4 173 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,1,0,0,0,0|1,0,2]=4 174 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,1,0,0,0,0|1,0,1]=3 175 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [0,1,0,0,0,0|2,0,1]=4 176 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [0,1,0,0,0,0|1,0,2]=4 177 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [0,1,0,0,0,0|1,0,2]=4 178 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [0,1,0,0,0,0|2,0,0]=3 179 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [0,1,0,0,0,0|2,0,0]=3 180 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,1,0,0,0,0|2,0,0]=3 181 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [0,1,0,0,0,0|2,0,1]=4 182 B12R2.606 NC1=NN2C=C(C=CC2=N1)Br SYX00250 [0,1,0,0,0,0|2,0,1]=4 183 B12R2.606 NC1=NN2C=CC(=CC2=N1)Br SYX00258 [0,1,0,0,0,0|2,0,1]=4 184 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,1,0,0,0,0|2,0,1]=4 185 B12R2.606 O=C1NC2=C(N1)N=C(C=C2)Cl CDS022312 [0,1,0,0,0,0|2,0,1]=4 186 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,1,0,0,0,0|2,0,1]=4 187 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,1,0,0,0,0|2,0,1]=4 188 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,1,0,0,0,0|2,0,1]=4 189 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,1,0,0,0,0|1,0,1]=3 190 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,1,0,0,0,0|3,0,0]=4 191 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,1,0,0,0,0|1,0,0]=2 192 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,1,0,0,0,0|1,0,2]=4 193 B12R2.606 OC1=NC2=NC=C(C=C2N1)Br T316016 [0,1,0,0,0,0|2,0,0]=3 194 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [0,1,0,0,0,0|2,0,1]=4 195 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,1,0,0,0,0|1,0,2]=4 196 B12R2.612 BrC1=CN=C2C(=CNC2=C1)I ADE000951 [0,1,0,0,0,0|3,0,0]=4 197 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,0,0,0|2,0,1]=4 198 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,0,0,0|2,0,1]=4 200 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [0,1,0,0,0,0|1,0,2]=4 201 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,0,1,0,0,0|1,0,1]=3 203 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,0,1,0,0,0|2,0,1]=4 204 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,0,1,0,0,0|3,0,0]=4 205 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,0,1,0,0,0|3,0,0]=4 206 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,0,1,0,0,0|2,0,1]=4 207 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,0,1,0,0,0|2,0,0]=3 208 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,0,1,0,0,0|3,0,0]=4 209 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [0,0,1,0,0,0|3,0,0]=4 210 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,0,1,0,0,0|2,0,1]=4 211 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,0,1,0,0,0|2,0,1]=4 212 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,0,1,0,0,0|3,0,0]=4 213 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,0,1,0,0,0|3,0,0]=4 214 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,0,1,0,0,0|3,0,0]=4 215 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,0,1,0,0,0|2,0,1]=4 216 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,0,1,0,0,0|3,0,0]=4 217 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,0,1,0,0,0|1,0,0]=2 218 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,0,1,0,0,0|2,0,1]=4 219 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,0,1,0,0,0|2,0,1]=4 220 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,0,1,0,0,0|3,0,0]=4 221 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,0,1,0,0,0|3,0,0]=4 222 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,0,1,0,0,0|2,0,0]=3 223 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,0,1,0,0,0|3,0,0]=4 224 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,0,1,0,0,0|3,0,0]=4 225 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,0,1,0,0,0|3,0,0]=4 226 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,0,1,0,0,0|3,0,0]=4 227 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,0,1,0,0,0|2,0,1]=4 228 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,0,1,0,0,0|2,0,1]=4 229 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,0,1,0,0,0|3,0,0]=4 230 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,0,1,0,0,0|1,0,2]=4 231 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,0,1,0,0,0|3,0,0]=4 232 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,0,1,0,0,0|3,0,0]=4 233 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,0,1,0,0,0|3,0,0]=4 234 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,0,1,0,0,0|2,0,1]=4 235 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,0,1,0,0,0|2,0,1]=4 236 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,0,1,0,0,0|2,0,1]=4 237 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,0,0,0|2,0,1]=4 238 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [0,0,0,0,0,1|2,0,1]=4 239 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,0,0,0,0,1|2,0,1]=4 240 B12R2.24 BrC1=CC=C2SCCNC2=C1 VBP00120 [0,0,0,0,0,1|2,0,1]=4 241 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,0,0,1|0,0,1]=2 242 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,0,0,1|1,0,0]=2 243 B12R2.24 CC1=CC=C2CCCNC2=N1 CDS020000 [0,0,0,0,0,1|2,0,1]=4 244 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,0,0,0,0,1|1,0,1]=3 245 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,0,0,1|2,0,0]=3 246 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,0,0,0,0,1|2,0,1]=4 247 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,0,0,1|3,0,0]=4 248 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,0,0,1|2,0,1]=4 249 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,0,0,0,0,1|2,0,1]=4 250 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,0,0,0,0,1|2,0,1]=4 251 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,0,0,0,0,1|2,0,1]=4 252 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,1|3,0,0]=4 253 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,1|2,0,1]=4 254 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,0,0,1|2,0,0]=3 255 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,0,0,1|3,0,0]=4 256 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,0,0,0,0,1|2,0,1]=4 257 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,1,0,0,0|1,0,1]=4 259 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,0,1,0,0,0|2,0,0]=4 260 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,0,1,0,0,0|2,0,0]=4 261 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,0,1,0,0,0|2,0,0]=4 262 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,1,0,0,0|1,0,1]=4 263 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,1,0,0,0|1,0,1]=4 264 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,1,0,0,0|1,0,1]=4 265 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,1,0,0,0|2,0,0]=4 266 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,1,0,0,0|2,0,0]=4 267 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,1,0,0,0|2,0,0]=4 268 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,0,1,0,0,0|2,0,0]=4 269 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,1,0,0,0|1,0,1]=4 270 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,0,1,0,0,0|2,0,0]=4 271 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,0,1,0,0,0|1,0,1]=4 272 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,1,0,0,0|2,0,0]=4 273 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,1,0,0,0|1,0,1]=4 274 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,1,0,0,0|1,0,1]=4 275 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,0,1,0,0,0|1,0,1]=4 276 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,0,1,0,0,0|1,0,1]=4 277 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,0,1,0,0,0|2,0,0]=4 278 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,1,0,0,0|1,0,1]=4 279 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,0,1,0,0,0|1,0,1]=4 280 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,0,1,0,0,0|1,0,1]=4 281 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,0,1,0,0,0|2,0,0]=4 282 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,0,1,0,0,0|2,0,0]=4 283 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,0,1,0,0,0|0,0,1]=3 284 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,0,1,0,0,0|1,0,1]=4 285 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,0,1,0,0,0|1,0,1]=4 286 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,0,1,0,0,0|2,0,0]=4 287 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [0,1,1,0,0,0|1,0,1]=4 288 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,1,0,0,0|2,0,0]=4 289 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,1,0,0,0|2,0,0]=4 290 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [0,1,1,0,0,0|1,0,1]=4 291 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,1,0,0,0|1,0,1]=4 292 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,1,1,0,0,0|1,0,1]=4 293 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,1,0,0,0|2,0,0]=4 294 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,1,0,0,0|2,0,0]=4 295 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,1,0,0,0|1,0,0]=3 296 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,1,1,0,0,0|0,0,1]=3 297 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,1,1,0,0,0|0,0,1]=3 298 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,1,0,0,0|0,0,1]=3 299 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,1,1,0,0,0|0,0,1]=3 300 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,1,0,0,0|2,0,0]=4 301 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,1,1,0,0,0|1,0,1]=4 302 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,1,0,0,0|2,0,0]=4 303 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,1,0,0,0|1,0,1]=4 304 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,1,0,0,0|1,0,1]=4 305 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,1,0,0,0|2,0,0]=4 306 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,1,1,0,0,0|1,0,1]=4 307 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,1,1,0,0,0|1,0,1]=4 308 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,1,0,0,0|2,0,0]=4 309 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,1,1,0,0,0|2,0,0]=4 310 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,1,1,0,0,0|2,0,0]=4 311 B11R1.81 CC1=CC=C(C(=C1)C)N=C=S S645451 [0,1,1,0,0,0|1,0,1]=4 312 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,1,1,0,0,0|1,0,1]=4 313 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,1,1,0,0,0|2,0,0]=4 314 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,1,1,0,0,0|2,0,0]=4 315 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [0,1,1,0,0,0|1,0,1]=4 316 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [0,1,1,0,0,0|2,0,0]=4 317 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [0,1,1,0,0,0|1,0,1]=4 318 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,1,1,0,0,0|1,0,1]=4 319 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,1,1,0,0,0|2,0,0]=4 320 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,1,1,0,0,0|1,0,0]=3 321 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [0,1,1,0,0,0|2,0,0]=4 322 B11R1.13 O=CNC1=C(C(=CC=C1)Cl)Cl S623296 [0,1,1,0,0,0|2,0,0]=4 323 B11R1.34 CC1=CC(=CC(=C1)NC=O)C S625418 [0,1,1,0,0,0|1,0,0]=3 324 B11R1.34 O=CNC1=CC(=CC(=C1)F)F S767824 [0,1,1,0,0,0|2,0,0]=4 325 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,1,0,0,0|2,0,0]=4 326 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,1,0,0,0|2,0,0]=4 327 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,1,0,0,0|2,0,0]=4 328 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,1,0,0,0|2,0,0]=4 329 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,1,0,0,0|2,0,0]=4 330 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,1,0,0,0|2,0,0]=4 331 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,1,0,0,0|0,0,1]=3 332 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,1,1,0,0,0|1,0,1]=4 333 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,1,0,0,0|1,0,1]=4 334 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,1,0,0,0|1,0,1]=4 335 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,1,1,0,0,0|1,0,1]=4 336 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,1,1,0,0,0|1,0,0]=3 337 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,1,1,0,0,0|2,0,0]=4 338 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [0,1,1,0,0,0|2,0,0]=4 339 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,1,1,0,0,0|2,0,0]=4 340 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [0,1,1,0,0,0|2,0,0]=4 341 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [0,1,1,0,0,0|2,0,0]=4 342 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [0,1,1,0,0,0|1,0,0]=3 343 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [0,1,1,0,0,0|1,0,1]=4 344 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,1,1,0,0,0|1,0,1]=4 345 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,1,1,0,0,0|1,0,1]=4 346 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,1,1,0,0,0|1,0,1]=4 347 B11R1.25 COC(=O)/C=C/C1=CNC=C1 R179809 [0,1,1,0,0,0|2,0,0]=4 348 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,1,0,0,0,0|2,0,0]=4 349 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [1,1,0,0,0,0|2,0,0]=4 350 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,1,0,0,0,0|2,0,0]=4 351 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [1,1,0,0,0,0|1,0,0]=3 352 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [1,1,0,0,0,0|1,0,1]=4 353 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,1,0,0,0,0|2,0,0]=4 354 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,1,0,0,0,0|1,0,0]=3 355 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [1,1,0,0,0,0|0,0,1]=3 356 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [1,1,0,0,0,0|1,0,0]=3 357 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [1,1,0,0,0,0|1,0,0]=3 358 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,1,0,0,0,0|0,0,0]=2 359 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,1,0,0,0,0|2,0,0]=4 360 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,1,0,0,0,0|1,0,0]=3 361 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,1,0,0,0,0|1,0,0]=3 362 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,1,0,0,0,0|2,0,0]=4 363 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [1,1,0,0,0,0|1,0,0]=3 364 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [1,1,0,0,0,0|1,0,0]=3 365 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [1,1,0,0,0,0|2,0,0]=4 366 B11R2.106 BrC1=CC=CC2=NSN=C12 CDS014873 [1,1,0,0,0,0|1,0,1]=4 367 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [1,1,0,0,0,0|2,0,0]=4 368 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [1,1,0,0,0,0|2,0,0]=4 369 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [1,1,0,0,0,0|2,0,0]=4 370 B11R2.106 CC1=CC=CC2=N[Se]N=C12 S30687 [1,1,0,0,0,0|1,0,1]=4 371 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [1,1,0,0,0,0|2,0,0]=4 372 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [1,1,0,0,0,0|2,0,0]=4 373 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [1,1,0,0,0,0|2,0,0]=4 374 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [1,1,0,0,0,0|2,0,0]=4 375 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [1,1,0,0,0,0|2,0,0]=4 376 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [1,1,0,0,0,0|2,0,0]=4 377 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [1,1,0,0,0,0|2,0,0]=4 378 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [1,1,0,0,0,0|0,0,0]=2 379 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [1,1,0,0,0,0|1,0,0]=3 380 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [1,1,0,0,0,0|1,0,0]=3 381 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [1,1,0,0,0,0|1,0,1]=4 382 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [1,1,0,0,0,0|2,0,0]=4 383 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,0,0,1|2,0,0]=4 384 B13R2.57 C#CC1=CC=C2N=CC=NC2=C1 CDS013627 [0,1,0,0,0,1|0,0,2]=4 385 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,1,0,0,0,1|1,0,0]=3 386 B13R2.57 COC1=CC=C2C=NCCC2=C1 PH002969 [0,1,0,0,0,1|1,0,1]=4 387 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,1,0,0,0,1|2,0,0]=4 388 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,1,0,0,0,1|1,0,1]=4 389 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,1,0,0,0,1|2,0,0]=4 390 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,1,0,0,0,1|2,0,0]=4 391 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 ADE001276 [0,1,0,0,0,1|2,0,0]=4 392 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,1,0,0,0,1|2,0,0]=4 393 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,1,0,0,0,1|2,0,0]=4 394 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,0,0,1|2,0,0]=4 395 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,1,0,0,0,1|2,0,0]=4 396 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,1,0,0,0,1|2,0,0]=4 397 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,1,0,0,0,1|2,0,0]=4 398 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,0,0,1|1,0,0]=3 399 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,1|0,0,1]=3 400 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,0,0,1|1,0,1]=4 401 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,0,0,1|1,0,0]=3 402 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,1,0,0,0,1|2,0,0]=4 403 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [0,1,0,0,0,1|1,0,1]=4 404 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,1,0,0,0,1|2,0,0]=4 405 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,1,0,0,0,1|2,0,0]=4 406 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,1,0,0,0,1|2,0,0]=4 407 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [0,1,0,0,0,1|1,0,1]=4 408 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,1,0,0,0,1|2,0,0]=4 409 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,1,0,0,0,1|2,0,0]=4 410 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,0,0,1|2,0,0]=4 411 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,1,0,0,0,1|2,0,0]=4 412 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,1,0,0,0,1|2,0,0]=4 413 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [0,1,0,0,0,1|1,0,1]=4 414 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [0,1,0,0,0,1|1,0,0]=3 415 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,1,0,0,0,1|2,0,0]=4 416 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,1,0,0,0,1|2,0,0]=4 417 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,1,0,0,0,1|2,0,0]=4 418 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,1|1,0,1]=4 419 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,1|1,0,1]=4 420 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,1,0,0,0,1|2,0,0]=4 421 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,1,0,0,0,1|2,0,0]=4 422 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [0,1,0,0,0,1|0,0,1]=3 423 B13R2.369 CC1=CC2=C(C=C1C)NCCN2 OTV000463 [0,1,0,0,0,1|0,0,2]=4 424 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,1,0,0,0,1|2,0,0]=4 425 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,0,0,1|1,0,1]=4 426 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,1,0,0,0,1|2,0,0]=4 427 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,1,0,0,0,1|1,0,1]=4 428 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,0,0,1|2,0,0]=4 429 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,0,0,1|2,0,0]=4 430 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,1,0,0,0,1|2,0,0]=4 431 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,1|2,0,0]=4 432 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,1,0,0,0,1|1,0,1]=4 433 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,1,0,0,0,1|2,0,0]=4 434 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,1,0,0,0,1|2,0,0]=4 435 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,1,0,0,0,1|0,0,2]=4 436 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,0,0,1|1,0,1]=4 437 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,1,0,0,0,1|0,0,1]=3 438 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,0,0,1|1,0,1]=4 439 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,0,0,1|1,0,1]=4 440 B13R2.5179 ClC1=CC2=C(C=C1)C(=NC=N2)Cl S671487 [0,1,0,0,0,1|1,0,1]=4 441 B13R2.430 NC(=S)C1=CC2=C(C=CN2)C=C1 PH017946 [0,2,0,0,0,0|1,0,1]=4 442 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CDS018249 [0,2,0,0,0,0|0,0,1]=3 443 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 CDS011338 [0,2,0,0,0,0|1,0,1]=4 444 B13R2.430 OB(O)C1=CC=C2N=CNC2=C1 CDS024320 [0,2,0,0,0,0|1,0,0]=3 445 B13R2.430 OB(O)C1=CC=C2N=CSC2=C1 CDS019261 [0,2,0,0,0,0|2,0,0]=4 446 B13R2.449 CNCC1=CC2=NON=C2C=C1 CBR01018 [0,2,0,0,0,0|1,0,1]=4 447 B13R2.449 CNCC1=CC2=NSN=C2C=C1 CBR01203 [0,2,0,0,0,0|1,0,1]=4 448 B13R2.599 COC1=C(C=C2C=NNC2=C1)Br SYX00190 [0,2,0,0,0,0|2,0,0]=4 449 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [0,2,0,0,0,0|2,0,0]=4 450 B13R2.599 OCC1=C(C=C2C=CNC2=N1)Cl ADE001390 [0,2,0,0,0,0|2,0,0]=4 451 B13R2.669 CN1C=CC2=CC=C(C=C12)C#N VBP00192 [0,2,0,0,0,0|1,0,1]=4 452 B13R2.669 [C-]#[N+]C1=CC=C2C=CN(C2=C1)C PH015466 [0,2,0,0,0,0|1,0,1]=4 453 B13R2.2121 CCC1=CC2=C(C=C1)N=C(S2)N PH010443 [0,2,0,0,0,0|1,0,0]=3 454 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,2,0,0,0,0|1,0,1]=4 455 B13R2.2121 COC1=CC=C2N=C(SC2=N1)N CDS020685 [0,2,0,0,0,0|2,0,0]=4 456 B13R2.2121 COC1=CC=C2SC(=NC2=C1)N CDS014859 [0,2,0,0,0,0|1,0,1]=4 457 B13R2.2121 COC1=CN2C=C(N=C2C=C1)Br ADE001237 [0,2,0,0,0,0|2,0,0]=4 458 B13R2.2121 N#CC1=CC=C2N=C(SC2=C1)N PH010448 [0,2,0,0,0,0|1,0,1]=4 459 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O CBR02288 [0,2,0,0,0,0|0,0,0]=2 460 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O PH019530 [0,2,0,0,0,0|0,0,0]=2 461 B13R2.2130 CN1C=CC2=CC(=CC=C12)CN CDS018643 [0,2,0,0,0,0|1,0,1]=4 462 B13R2.3790 CN1C=NC2=CC=C(C(=C12)F)F CDS024497 [0,2,0,0,0,0|1,0,0]=3 463 B13R2.4899 CC1=C(C(=C2NC=NC2=C1)N)C CBR01337 [0,2,0,0,0,0|0,0,0]=2 464 B13R2.4899 CC1=C(C=C2NC=NC2=C1C)N CBR01356 [0,2,0,0,0,0|1,0,0]=3 465 B13R2.4899 N1N=CC2=C1C(=C(C(=C2)Br)C)Br S275441 [0,2,0,0,0,0|2,0,0]=4 466 B13R2.11634 CC1=CC2=C(C=NN2C)C=C1Br CDS020525 [0,2,0,0,0,0|2,0,0]=4 467 B13R2.11634 CC1=CC2=NO[N+](=C2C=C1C)[O-] PH009211 [0,2,0,0,0,0|1,0,1]=4 468 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,2,0,0,0,0|1,0,0]=3 469 B13R2.13083 CC1=CC2=C(C=C1C)NC(=S)N2 R552097 [0,2,0,0,0,0|0,0,1]=3 470 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C S439428 [0,2,0,0,0,0|1,0,0]=3 471 B13R2.13083 CC1=CC2=C(C=C1C)SC(=N)N2 R520578 [0,2,0,0,0,0|1,0,0]=3 472 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)C S544353 [0,2,0,0,0,0|1,0,0]=3 473 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)O JRD1496 [0,2,0,0,0,0|1,0,0]=3 474 B13R2.13083 CC1=NC2=C(C=C1Br)NC(=N2)O S136891 [0,2,0,0,0,0|2,0,0]=4 475 B13R2.13083 CC1=NC2=CC(=C(C=C2S1)C)C R367850 [0,2,0,0,0,0|1,0,0]=3 476 B13R2.13083 NC1=CC2=C(C=C1N)NC(=O)N2 CBR00196 [0,2,0,0,0,0|1,0,1]=4 477 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,2,0,0,0,0|2,0,0]=4 478 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [0,2,0,0,0,0|2,0,0]=4 479 B13R2.13083 O=C1NC2=C(N1)C=C(C(=C2)Cl)Cl PH010069 [0,2,0,0,0,0|1,0,1]=4 480 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,2,0,0,0,0|2,0,0]=4 481 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,2,0,0,0,0|2,0,0]=4 482 B13R2.13083 SC1=NC2=C(N1)C=C(C(=C2)Cl)Cl PH011040 [0,2,0,0,0,0|1,0,0]=3 483 B13R2.3028 CN1C2=CC(=CC=C2N=C1Cl)Cl PH016051 [0,2,0,0,0,0|1,0,0]=3 484 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,2,0,0,0,0|2,0,0]=4 485 B13R2.5397 CC1=CC(=C2SC(=NC2=C1)N)C T314145 [0,2,0,0,0,0|1,0,1]=4 486 B13R2.5397 CC1=CC2=C(NC(=N)S2)C(=C1)C S501344 [0,2,0,0,0,0|1,0,1]=4 487 B13R2.5397 CC1=CC2=C(NC(=S)N2)C(=C1)C L202940 [0,2,0,0,0,0|0,0,1]=3 488 B13R2.5397 CC1=CC2=C(SC(=N2)C)C(=C1)C L203300 [0,2,0,0,0,0|1,0,1]=4 489 B13R2.5397 NC1=NC2=C(C=C(C=C2S1)Br)F CBR00095 [0,2,0,0,0,0|2,0,0]=4 490 B13R2.5397 NC1=NC2=C(C=C(C=C2S1)F)Br CDS021847 [0,2,0,0,0,0|2,0,0]=4 491 B13R2.5397 NC1=NC2=C(C=C(C=C2S1)F)Cl CBR01457 [0,2,0,0,0,0|2,0,0]=4 492 B13R2.43 CC1=CC2=C(C=C1)NC(=C2)CN CDS002244 [0,2,0,0,0,0|1,0,1]=4 493 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CBR00795 [0,2,0,0,0,0|0,0,0]=2 494 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CDS022409 [0,2,0,0,0,0|0,0,0]=2 495 B13R2.43 CC1=CC=C2N=C(OC2=C1)CCl CDS016274 [0,2,0,0,0,0|1,0,0]=3 496 B13R2.43 CC1=CC=C2N=C(SC2=C1)NN L482102 [0,2,0,0,0,0|1,0,0]=3 497 B13R2.43 CC1=CC=C2NC(=NC2=C1)CN CBR00627 [0,2,0,0,0,0|0,0,2]=4 498 B13R2.43 CC1=CN2C=C(N=C2C=C1)CCl CBR00776 [0,2,0,0,0,0|2,0,0]=4 499 B13R2.43 CC1=CN2C=C(N=C2C=C1)CCl PH017210 [0,2,0,0,0,0|2,0,0]=4 500 B13R2.43 CC1=CN2C=C(N=C2C=C1)CN CBR01214 [0,2,0,0,0,0|2,0,0]=4 501 B13R2.43 CCC1=NC2=C(N1)C=C(C=C2)C PH010521 [0,2,0,0,0,0|0,0,0]=2 502 B13R2.43 CSC1=NC2=C(S1)C=C(C=C2)N S505544 [0,2,0,0,0,0|2,0,0]=4 503 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)Cl PH019048 [0,2,0,0,0,0|2,0,0]=4 504 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)F PH019149 [0,2,0,0,0,0|2,0,0]=4 505 B13R2.43 NNC1=NC2=C(O1)C=C(C=C2)Cl CBR01288 [0,2,0,0,0,0|2,0,0]=4 506 B13R2.43 NNC1=NC2=CC=C(C=C2S1)Br L482080 [0,2,0,0,0,0|2,0,0]=4 507 B13R2.43 NNC1=NC2=CC=C(C=C2S1)Cl L482072 [0,2,0,0,0,0|2,0,0]=4 508 B13R2.43 NNC1=NC2=CC=C(C=C2S1)F L482099 [0,2,0,0,0,0|2,0,0]=4 509 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,2,0,0,0,0|1,0,0]=3 510 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,2,0,0,0,0|2,0,0]=4 511 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,2,0,0,0,0|2,0,0]=4 512 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,2,0,0,0,0|2,0,0]=4 513 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,2,0,0,0,0|2,0,0]=4 514 B13R2.662 O=CC1=CNC2=C1C=CC(=C2)Cl CDS022285 [0,2,0,0,0,0|2,0,0]=4 515 B13R2.3108 CC1=CC2=C(C=C1)C(C=C2)(C)C S127973 [0,2,0,0,0,0|2,0,0]=4 516 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,1|1,0,0]=3 517 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [1,0,0,0,0,1|1,0,1]=4 518 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,0,0,1|1,0,1]=4 519 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,0,0,1|2,0,0]=4 520 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,0,0,1|2,0,0]=4 521 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,0,0,1|0,0,0]=2 522 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [1,0,0,0,0,1|1,0,1]=4 523 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,0,0,1|2,0,0]=4 524 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,0,0,1|1,1,0]=4