0 B12R2.612 BrC1=CC2=C(C=N1)C(=NN2)Br BLN00060 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.612 BrC1=CC2=C(C=N1)C(=NN2)I BLN00063 [0,0,0,0,0,0|2,1,0]=3 2 B12R2.612 BrC1=CN=C2C(=C1)NN=C2Br BLN00055 [0,0,0,0,0,0|2,1,0]=3 3 B12R2.612 BrC1=CN=C2C(=C1)NN=C2I BLN00057 [0,0,0,0,0,0|2,1,0]=3 4 B12R2.612 BrC1=CN=C2C(=CNC2=C1)I ADE000951 [0,0,0,0,0,0|3,1,0]=4 5 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,0,0,0,0,0|1,1,0]=2 6 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,0,0,0,0,0|2,1,0]=3 7 B12R2.612 CN1N=NC2=C1C=CC(=C2)N CBR01799 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.612 ClC1=CN=C2C(=C1)NN=C2Br BLN00023 [0,0,0,0,0,0|2,1,0]=3 9 B12R2.612 ClC1=NC=C2C(=C1)NN=C2I BLN00030 [0,0,0,0,0,0|2,1,0]=3 10 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.612 NC1=NNC2=CC(=CN=C12)Br ADE000066 [0,0,0,0,0,0|2,1,0]=3 12 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,0,0,0,0,0|2,1,0]=3 13 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,0,0,0,0,0|1,1,2]=4 15 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,0,0,0,0,0|0,1,0]=1 16 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,0,0,0,0,0|1,1,0]=2 17 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,0,0,0|1,0,0]=2 23 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,0,0,0|2,0,0]=3 28 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,0,0,0,0,0|1,0,0]=2 31 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,0,0|1,0,2]=4 36 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,0,0|2,0,1]=4 37 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,0,0,0|1,1,0]=3 38 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [1,0,0,0,0,0|2,0,1]=4 39 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [1,0,0,0,0,0|1,1,1]=4 40 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [1,0,0,0,0,0|1,1,0]=3 41 B11R2.36 BrC1=CC2=C(C=NN2)N=C1 BLN00048 [1,0,0,0,0,0|1,1,0]=3 42 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [1,0,0,0,0,0|2,1,0]=4 43 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,0,0,0,0,0|2,1,0]=4 44 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,0,0,0,0,0|1,0,0]=2 46 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [1,0,0,0,0,0|1,1,0]=3 48 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [1,0,0,0,0,0|0,1,0]=2 49 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [1,0,0,0,0,0|2,1,0]=4 50 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [1,0,0,0,0,0|2,1,0]=4 51 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [1,0,0,0,0,0|0,0,0]=1 54 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,0,0,0|1,0,1]=3 55 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [1,0,0,0,0,0|2,0,1]=4 56 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,0,0,0|1,1,1]=4 57 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [1,0,0,0,0,0|2,0,1]=4 59 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.662 O=CC1=CNC2=C1C=CC(=C2)Cl CDS022285 [0,1,0,0,0,0|1,1,1]=4 62 B13R2.2130 NCC1=CC2=C(C=C1)C(=NO2)N PH017354 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.5187 CN1N=C(C2=CC(=CC=C12)F)N SYX00157 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.5187 CN1N=C(C2=CC=C(C=C12)F)N SYX00158 [0,1,0,0,0,0|1,0,0]=2 65 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,0,0|2,0,1]=4 66 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,0,0|1,1,1]=4 67 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,0,0|1,1,1]=4 68 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,0,0|1,1,1]=4 69 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,0,0|1,0,1]=3 70 B13R2.11642 N1N=C(C2=C1C=C(N=C2O)O)N S511129 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,0,1,0,0,0|2,1,0]=4 72 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,0,1,0,0,0|3,0,0]=4 74 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,0,1,0,0,0|2,0,0]=3 75 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,0,1,0,0,0|3,0,0]=4 76 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,0,1,0,0,0|2,0,1]=4 77 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,0,1,0,0,0|1,0,2]=4 78 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,0,1,0,0,0|2,1,0]=4 79 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,0,1,0,0,0|1,1,1]=4 80 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,0,1,0,0,0|1,0,1]=3 81 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,0,1,0,0,0|2,1,0]=4 82 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,0,1,0,0,0|2,1,0]=4 83 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,0,1,0,0,0|2,1,0]=4 84 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,0,1,0,0,0|2,0,0]=3 85 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,0,1,0,0,0|2,0,0]=3 86 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,0,1,0,0,0|2,1,0]=4 87 B11R1.24 OCCNC1=NC(=CC=C1)F CDS021253 [0,0,1,0,0,0|2,0,1]=4 88 B11R1.37 N#CC1=CC(=CC=C1C=O)F CDS003658 [0,0,1,0,0,0|1,0,2]=4 89 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,0,1,0,0,0|3,0,0]=4 90 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,0,1,0,0,0|2,0,1]=4 91 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,0,1,0,0,0|2,0,1]=4 92 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,0,1,0,0,0|0,1,2]=4 93 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,0,1,0,0,0|0,1,2]=4 94 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,0,1,0,0,0|0,2,1]=4 95 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,0,1,0,0,0|2,0,0]=3 96 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,0,1,0,0,0|2,1,0]=4 97 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,0,1,0,0,0|3,0,0]=4 98 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,0,1,0,0,0|3,0,0]=4 99 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.166 OB(O)C1=C(C=C(C=C1)F)Cl CDS003472 [0,0,1,0,0,0|3,0,0]=4 101 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,0,0,0,0,1|3,0,0]=4 102 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,0,0,0,0,1|3,0,0]=4 103 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,0,0,0,0,1|2,1,0]=4 104 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,0,0,0,0,1|3,0,0]=4 105 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,0,0,0,0,1|2,0,1]=4 106 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,0,0,0,0,1|2,0,1]=4 107 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,0,0,0,0,1|2,1,0]=4 108 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,0,0,0,0,1|2,0,1]=4 109 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,0,0,0,0,1|2,0,1]=4 110 B13R2.5179 ClC1=CC2=C(C=C1)C(=NC=N2)Cl S671487 [0,0,0,0,0,1|1,1,1]=4 111 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,0,0,0,0,1|2,0,1]=4 112 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,0,0,0,0,1|2,0,1]=4 113 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,0,0,0,0,1|2,0,1]=4 114 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,0,0,0,0,1|3,0,0]=4 115 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,0,0,0,0,1|2,0,1]=4 116 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,0,0,0,0,1|1,1,1]=4 117 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,0,0,0,0,1|1,0,1]=3 118 B13R2.5179 OC1=NC=NC2=CC(=CN=C12)Br ADE000060 [0,0,0,0,0,1|1,1,1]=4 119 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,0,1,0,0,0|0,0,2]=4 121 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,0,1,0,0,0|1,1,0]=4 122 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,1,0,0,0|2,0,0]=4 123 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,0,1,0,0,0|1,1,0]=4 124 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,1,0,0,0|2,0,0]=4 125 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,0,1,0,0,0|1,1,0]=4 127 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,0,1,0,0,0|1,0,0]=3 128 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,1,0,0,0|2,0,0]=4 129 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,1,0,0,0|2,0,0]=4 130 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,1,0,0,0|2,0,0]=4 131 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,1,0,0,0|1,1,0]=4 132 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,1,0,0,0|2,0,0]=4 133 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,0,1,0,0,0|2,0,0]=4 134 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,0,1,0,0,0|0,0,2]=4 135 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,0,1,0,0,0|1,0,1]=4 136 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,0,1,0,0,0|1,0,1]=4 137 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,0,1,0,0,0|2,0,0]=4 138 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,0,1,0,0,0|1,1,0]=4 139 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,0,1,0,0,0|1,1,0]=4 140 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,0,1,0,0,0|0,1,1]=4 141 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,0,1,0,0,0|1,0,0]=3 142 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,0,1,0,0,0|0,0,2]=4 143 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,0,1,0,0,0|1,0,1]=4 144 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,0,1,0,0,0|1,0,1]=4 145 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,0,1,0,0,0|2,0,0]=4 146 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,0,1,0,0,0|1,0,1]=4 147 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,0,1,0,0,0|2,0,0]=4 148 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,1,0,0,0|2,0,0]=4 152 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,1,0,0,0|2,0,0]=4 153 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [2,0,0,0,0,0|2,0,0]=4 154 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [2,0,0,0,0,0|2,0,0]=4 155 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [2,0,0,0,0,0|1,0,0]=3 156 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [2,0,0,0,0,0|2,0,0]=4 157 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [2,0,0,0,0,0|1,0,0]=3 158 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [2,0,0,0,0,0|2,0,0]=4 159 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [2,0,0,0,0,0|1,0,0]=3 160 B12R1.367 CC1=C(C=C(C=C1)/C(=N/N)/O)I JRD1340 [0,1,1,0,0,0|1,0,0]=3 161 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)F)F BOG00015 [0,1,1,0,0,0|2,0,0]=4 162 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,1,1,0,0,0|0,0,2]=4 163 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,1,0,0,0|1,1,0]=4 164 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,1,1,0,0,0|0,1,1]=4 165 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,1,1,0,0,0|2,0,0]=4 166 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,1,1,0,0,0|2,0,0]=4 167 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,1,1,0,0,0|2,0,0]=4 168 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,1,1,0,0,0|2,0,0]=4 169 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,1,1,0,0,0|1,1,0]=4 170 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,1,1,0,0,0|2,0,0]=4 171 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,1,1,0,0,0|1,1,0]=4 173 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [1,1,0,0,0,0|2,0,0]=4 174 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [1,1,0,0,0,0|2,0,0]=4 175 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [1,1,0,0,0,0|1,0,0]=3 176 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [1,1,0,0,0,0|1,0,0]=3 177 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [1,1,0,0,0,0|2,0,0]=4 178 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,1,0,0,0,0|1,0,1]=4 179 B12R2.132 BrC1=CC2=C(C=N1)NN=C2Br BLN00065 [1,1,0,0,0,0|2,0,0]=4 180 B12R2.132 BrC1=CC2=C(C=N1)NN=C2I BLN00068 [1,1,0,0,0,0|2,0,0]=4 181 B12R2.132 BrC1=CC=C2NN=C(C2=N1)I BLN00058 [1,1,0,0,0,0|2,0,0]=4 182 B12R2.132 BrC1=CN=C2NN=C(C2=C1)Br BLN00070 [1,1,0,0,0,0|2,0,0]=4 183 B12R2.132 BrC1=CN=C2NN=C(C2=C1)I ADE000065 [1,1,0,0,0,0|2,0,0]=4 184 B12R2.132 BrC1=NNC2=NC=C(C=C12)I ADE000071 [1,1,0,0,0,0|2,0,0]=4 185 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [1,1,0,0,0,0|2,0,0]=4 186 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [1,1,0,0,0,0|2,0,0]=4 187 B12R2.132 ClC1=CC2=C(C=N1)NN=C2Br BLN00031 [1,1,0,0,0,0|2,0,0]=4 188 B12R2.132 ClC1=CC2=C(C=N1)NN=C2I BLN00034 [1,1,0,0,0,0|2,0,0]=4 189 B12R2.132 ClC1=CC2=C(N=C1)NN=C2Br BLN00036 [1,1,0,0,0,0|2,0,0]=4 190 B12R2.132 ClC1=CC=C2NN=C(C2=N1)Br BLN00024 [1,1,0,0,0,0|2,0,0]=4 191 B12R2.132 ClC1=CN=C2NN=C(C2=C1)I BLN00052 [1,1,0,0,0,0|2,0,0]=4 192 B12R2.132 NC1=NNC2=NC=C(C=C12)Br BLN00005 [1,1,0,0,0,0|2,0,0]=4 193 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [1,1,0,0,0,0|0,0,0]=2 194 B12R2.196 BrC1=CN=CC2=C1NN=C2Br BLN00059 [1,1,0,0,0,0|2,0,0]=4 195 B12R2.196 BrC1=CN=CC2=C1NN=C2I BLN00062 [1,1,0,0,0,0|2,0,0]=4 196 B12R2.196 BrC1=NNC2=C1C=CN=C2Br T143812 [1,1,0,0,0,0|2,0,0]=4 197 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [1,1,0,0,0,0|2,0,0]=4 198 B12R2.196 ClC1=C2NN=C(C2=CC=N1)I BLN00033 [1,1,0,0,0,0|2,0,0]=4 199 B12R2.196 ClC1=CN=CC2=C1NN=C2Br BLN00026 [1,1,0,0,0,0|2,0,0]=4 200 B12R2.196 ClC1=CN=CC2=C1NN=C2I BLN00029 [1,1,0,0,0,0|2,0,0]=4 201 B12R2.196 ClC1=NC=CC2=C1NN=C2Br T143928 [1,1,0,0,0,0|2,0,0]=4 202 B12R2.196 FC1=C2NN=C(C2=CC=C1)Br CDS023948 [1,1,0,0,0,0|1,0,0]=3 203 B12R2.196 NC1=NNC2=C(C=CC=C12)Br CDS023799 [1,1,0,0,0,0|1,0,0]=3 204 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [1,1,0,0,0,0|2,0,0]=4 205 B12R2.196 O=C1NC=CC2=C1NN=C2Br T144045 [1,1,0,0,0,0|2,0,0]=4 206 B12R2.203 BrC1=NC=CC2=C1C(=NN2)Br BLN00061 [1,1,0,0,0,0|2,0,0]=4 207 B12R2.203 BrC1=NC=CC2=C1C(=NN2)I BLN00064 [1,1,0,0,0,0|2,0,0]=4 208 B12R2.203 ClC1=NC=CC2=C1C(=NN2)Br BLN00028 [1,1,0,0,0,0|2,0,0]=4 209 B12R2.203 ClC1=NC=CC2=C1C(=NN2)I BLN00018 [1,1,0,0,0,0|2,0,0]=4 210 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [1,1,0,0,0,0|1,0,0]=3 211 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.2028 CN1N=C(C2=C1N=CC=C2)N CDS013841 [1,1,0,0,0,0|2,0,0]=4 213 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [1,1,0,0,0,0|0,1,0]=3 214 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [1,1,0,0,0,0|1,0,0]=3 216 B12R2.100 BrC1=C(C=C2NN=NC2=C1)Br R229741 [1,1,0,0,0,0|1,1,0]=4 217 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [1,1,0,0,0,0|1,0,0]=3 218 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [1,1,0,0,0,0|2,0,0]=4 219 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 CDS020200 [1,1,0,0,0,0|1,0,0]=3 220 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,1,0,0,0,0|2,0,0]=4 221 B12R2.246 CC1=CC(=CC2=C1C=NN2)Br CDS022566 [1,1,0,0,0,0|0,1,0]=3 222 B12R2.246 ClC1=CC2=C(C=NN2)C(=C1)I PHB00098 [1,1,0,0,0,0|0,1,0]=3 223 B12R2.246 FC1=C2C=NNC2=CC(=C1)Br SYX00189 [1,1,0,0,0,0|0,1,0]=3 224 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,1,0,0,0,0|1,1,0]=4 225 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [1,1,0,0,0,0|2,0,0]=4 226 B14R2.8235 CC1=NC(=C2C=C(C=CC2=N1)F)Cl CDS021119 [0,1,0,0,0,1|2,0,0]=4 227 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)F BBO000301 [0,1,0,0,0,1|1,0,1]=4 228 B14R2.28480 OC1=C2C(=CC(=CC2=NC=C1)F)F BBO000306 [0,1,0,0,0,1|1,0,1]=4 229 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,1,0,0,0,1|1,0,1]=4 230 B14R2.29365 CC1=NC2=CC(=CC=C2C(=N1)Cl)F CDS021178 [0,1,0,0,0,1|1,0,1]=4 231 B14R2.29365 O=C1NC2=CC(=CC=C2C(=O)O1)F CDS019634 [0,1,0,0,0,1|1,0,1]=4 232 B14R2.2410 CC1=C2NC=C(C2=CC=C1F)C=O RNI00032 [0,2,0,0,0,0|1,0,1]=4 233 B14R2.5719 CC1=NNC2=CC(=CC=C12)C(=O)O PH018507 [0,2,0,0,0,0|2,0,0]=4 234 B14R2.5719 O=[N+]([O-])C1=CC=C2C(=C1)NN=C2I SYX00220 [0,2,0,0,0,0|2,0,0]=4 235 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,0,1,0|1,0,1]=4