0 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.17 N#CC#CC1=CC=CC=C1 NO16032 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 NNCCc1ccccc1 DY527511 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.17 O=CC#CC1=CC=CC=C1 NO18196 [0,0,0,0,0,0|0,0,2]=2 9 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [0,0,0,0,0,0|0,0,2]=2 12 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [1,0,0,0,0,0|0,0,3]=4 13 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NNCC1=CC=CC=C1 NO11006 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 NNCC1=CC=CC=C1 NO12127 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 NOCC1=CC=CC=C1 NO14063 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 ONCC1=CC=CC=C1 DY563853 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.8 ONCC1=CC=CC=C1 NO11753 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 NO16393 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 DY107446 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 NO14013 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.16 CC(N=C=O)c1ccccc1 DY587056 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 DY20438 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.16 N#CCC(=O)C1=CC=CC=C1 NO10995 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 DY566061 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.24 O=C=NCC1=CC(F)=CC=C1 DY790131 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.28 CCO\C=N\C1=CC=CC=C1 DY566853 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.40 CCC(=O)OC1=CC=CC=C1 DY584283 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.40 CNC(=S)NC1=CC=CC=C1 DY793797 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.91 CC(C)\N=C\C1=CC=CC=C1 DY797541 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 NO21725 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.91 O=C(O)C#CC1=CC=CC=C1 NO10957 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [0,1,0,0,0,0|0,0,2]=3 44 B11R1.91 O=C(O)CNc1ccccc1 DY439073 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.91 O=C(O)CSC1=CC=NC=C1 DY503439 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.91 O=C(O)CSC1=NC=CC=C1 DY500080 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20186 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20799 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 NO20444 [0,1,0,0,0,0|1,0,2]=4 50 B11R2.1 BrC1=C2C=CC=CN2N=C1 NO17352 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.1 BrC1=CC=C2C=CC=CN12 DY674727 [0,0,0,1,0,0|2,0,0]=3 52 B11R2.1 BrC1=CNC2=CC=CN=C12 NO13195 [0,0,0,1,0,0|3,0,0]=4 53 B11R2.1 BrC1=CNC2=CN=CC=C12 NO18417 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.1 BrC1=COC2=C1C=CC=C2 NO20626 [0,0,0,1,0,0|2,0,0]=3 55 B11R2.1 BrC1=COC2=CC=CN=C12 DY580287 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.1 BrC1=CSC2=NC=CC=C12 NO15651 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.1 CC1=CCC2=CC=CC=C12 DY106180 [0,0,0,1,0,0|1,0,1]=3 58 B11R2.1 CC1=CNC2=CC=CC=C12 NO11030 [0,0,0,1,0,0|2,0,0]=3 59 B11R2.1 CC1=CNC2=NC=CC=C12 NO22368 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.1 CC1=NNC2=CC=CC=C21 NO17372 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.1 CC1=NOC2=C1C=CC=C2 NO22352 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.1 CN1C=CC2=CC=CC=C21 NO11026 [0,0,0,1,0,0|2,0,0]=3 63 B11R2.1 CN1C=CC2=CC=CN=C21 NO20755 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 DY546033 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.1 ClC1=CSC2=NC=CC=C12 DY674919 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.1 ClC1=NOC2=C1C=CC=C2 NO19970 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.1 IC1=CNC2=CC=CN=C12 NO15332 [0,0,0,1,0,0|3,0,0]=4 68 B11R2.1 IC1=CNC2=CN=CC=C12 NO15083 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.1 IC1=CSC2=C1C=CC=C2 NO22329 [0,0,0,1,0,0|2,0,0]=3 70 B11R2.1 NC1=C2C=CC=CC2=NS1 DY751663 [0,0,0,1,0,0|3,0,0]=4 71 B11R2.1 NC1=C2C=CC=CN2N=C1 DY519951 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.1 NC1=CNC2=CC=CC=C12 DY585665 [0,0,0,1,0,0|2,0,0]=3 73 B11R2.1 NC1=CNC2=CC=CC=C12 DY585666 [0,0,0,1,0,0|2,0,0]=3 74 B11R2.1 NC1=CNC2=NC=CC=C12 DY535557 [0,0,0,1,0,0|3,0,0]=4 75 B11R2.1 NC1=CSC2=C1C=CC=C2 NO13998 [0,0,0,1,0,0|2,0,0]=3 76 B11R2.1 NC1=NCC2=CC=CC=C21 DY459738 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.1 NC1=NNC2=CC=CC=C21 NO20708 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.1 NC1=NOC2=C1C=CC=C2 NO20240 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.1 NC1=NSC2=C1C=CC=C2 NO13975 [0,0,0,1,0,0|3,0,0]=4 80 B11R2.1 NN1C=CC2=CC=CC=C21 NO19942 [0,0,0,1,0,0|2,0,0]=3 81 B11R2.1 O=C1CCC2=CC=CC=C12 NO18668 [0,0,0,1,0,0|0,0,2]=3 82 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,0,0,1,0,0|1,0,2]=4 83 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,0,0,1,0,0|1,0,2]=4 84 B11R2.1 O=C1COC2=NC=CC=C12 DY441318 [0,0,0,1,0,0|2,0,1]=4 85 B11R2.1 O=C1CSC2=C1C=CC=C2 NO20606 [0,0,0,1,0,0|1,0,1]=3 86 B11R2.1 O=C1N=NC2=CC=CC=C12 DY762524 [0,0,0,1,0,0|2,0,0]=3 87 B11R2.1 O=C1NCC2=CC=CC=C12 NO11515 [0,0,0,1,0,0|1,0,1]=3 88 B11R2.1 O=C1NCC2=NC=CC=C12 DY553185 [0,0,0,1,0,0|2,0,1]=4 89 B11R2.1 O=C1NNC2=CC=CN=C12 NO16829 [0,0,0,1,0,0|3,0,0]=4 90 B11R2.1 O=C1NNC2=CN=CC=C12 DY33248 [0,0,0,1,0,0|3,0,0]=4 91 B11R2.1 O=C1NNC2=NC=CC=C12 NO13662 [0,0,0,1,0,0|3,0,0]=4 92 B11R2.1 O=C1NSC2=C1C=CC=C2 NO14057 [0,0,0,1,0,0|2,0,0]=3 93 B11R2.1 O=C1OCC2=CC=CC=C12 NO11853 [0,0,0,1,0,0|1,0,1]=3 94 B11R2.1 O=C1OCC2=NC=CC=C12 NO11423 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.1 O=S1C=CC2=C1C=CC=N2 DY502185 [0,0,0,1,0,0|2,0,0]=3 96 B11R2.20 C1=CC=C2C=NC=CC2=C1 NO19770 [0,0,0,1,0,0|2,0,0]=3 97 B11R2.20 C1=CC=C2C=NN=CC2=C1 NO10532 [0,0,0,1,0,0|3,0,0]=4 98 B11R2.20 C1=CC=C2N=CC=CC2=C1 NO11929 [0,0,0,1,0,0|1,0,0]=2 99 B11R2.20 C1=CC=C2N=CC=NC2=C1 NO11932 [0,0,0,1,0,0|2,0,0]=3 100 B11R2.20 C1=CC=C2N=CN=CC2=C1 NO11926 [0,0,0,1,0,0|2,0,0]=3 101 B11R2.20 C1=CC=C2N=NC=CC2=C1 NO11145 [0,0,0,1,0,0|2,0,0]=3 102 B11R2.20 C1=CN=C2C=CC=NC2=C1 NO20548 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.2 C#CC1=CC=CC=C1 NO19127 [2,0,0,0,0,0|0,0,2]=4 104 B8R1.2 C=CC1=CC=CN=C1 DY507011 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.2 CNC1=CC=CC=C1 NO11792 [2,0,0,0,0,0|1,0,1]=4 106 B8R1.2 ClSC1=CC=CC=C1 DY799077 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 ICC1=CC=CC=C1 NO11000 [2,0,0,0,0,0|1,0,1]=4 108 B8R1.2 N#Cc1ccccc1 NO13696 [2,0,0,0,0,0|1,0,1]=4 109 B8R1.2 NNC1=CC=CC=C1 NO15210 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.2 O=CC1=CC=NC=C1 DY458075 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.2 O=CC1=CN=CC=C1 NO19090 [2,0,0,0,0,0|1,0,0]=3 112 B8R1.2 O=CC1=CN=CN=C1 NO19643 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 O=CC1=NC=CC=C1 NO18610 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.2 O=CC1=NC=CN=C1 NO18375 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.1 O=C=NC1=CC=C(F)C=C1 DY33036 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [1,1,0,0,0,0|0,0,1]=3 117 B10R1.4 C=CCC1=C(C)C=CN=C1 DY451588 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.4 C=CCC1=COC=CC1=O DY777394 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.4 O=C=NC1=C(Br)C=CC=C1 DY41031 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 DY789879 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 DY558525 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 DY794499 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.4 O\N=C\C1=C(F)C=CC=C1 DY106948 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.4 O\N=C\C1=CC=CC=C1O DY581391 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.10 O=C=NC1=CC(F)=CC=C1 DY41043 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.10 O\N=C\C1=CC(Br)=CC=C1 DY796005 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.15 C#CC(=O)C1=CC=CC=C1 DY551139 [1,1,0,0,0,0|0,0,2]=4 128 B10R1.15 C=C(CBr)C1=CC=CC=C1 NO20091 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.15 CN(C=O)C1=CC=CC=C1 NO11793 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.15 CN(C=O)C1=NC=CC=C1 DY566547 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.15 C\C(=C/Br)C1=CC=NC=C1 DY111870 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.15 NNC(=O)C1=CC=CC=C1 NO10971 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.15 NNC(=S)C1=CC=CC=C1 DY721675 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.15 O=C(CBr)C1=CC=CC=C1 NO19274 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.15 O=NN(O)C1=CC=CC=C1 DY791781 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.15 O=NN([O-])c1ccccc1 DY822384 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.18 BrC(Br)=CC1=CC=CC=C1 NO16193 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.18 CC(=O)CC1=CC=NC=C1 NO20988 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.18 O=C(Cl)OC1=CC=CC=C1 NO18823 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.18 O=C(O)CC1=CC=CN=C1 NO20325 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.18 O=C(O)CC1=CC=NC=C1 NO20327 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.18 O=C([O-])CC1=NC=CC=C1 DY716949 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.18 O=[N+]([O-])SC1=CC=CC=C1 DY791007 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.16 CC1=CC=C(\C=C\C=O)O1 NO17008 [0,1,0,0,1,0|1,0,0]=3 150 B10R1.66 CC(=O)\C=C\C1=CC=CS1 DY584490 [0,1,0,0,1,0|1,0,0]=3 151 B10R1.66 O=C(O)\C=C\C1=COC=C1 DY759860 [0,1,0,0,1,0|1,0,0]=3 152 B10R1.66 O=C(O)\C=C\C1=CSC=C1 DY510459 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.16 C\C(=C/CO)C1=CC=C(I)C=C1 DY747163 [0,2,0,0,0,0|0,0,2]=4 154 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [0,2,0,0,0,0|0,0,2]=4 155 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 DY41308 [0,2,0,0,0,0|0,0,0]=2 156 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 NO21832 [0,2,0,0,0,0|0,0,2]=4 157 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 DY584672 [0,2,0,0,0,0|1,0,1]=4 158 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=N1 DY602753 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 DY451168 [0,2,0,0,0,0|0,0,2]=4 160 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 NO21674 [0,2,0,0,0,0|0,0,2]=4 161 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 NO19854 [0,2,0,0,0,0|0,0,2]=4 162 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 NO21107 [0,2,0,0,0,0|0,0,2]=4 163 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 DY535089 [0,2,0,0,0,0|1,0,1]=4 164 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 NO21504 [0,2,0,0,0,0|0,0,0]=2 165 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 NO15820 [0,2,0,0,0,0|0,0,0]=2 166 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 NO22887 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.49 C\C(C=O)=C/C1=CC=C(Br)C=C1 DY788637 [0,2,0,0,0,0|0,0,0]=2 168 B12R1.69 OC\C=C\C1=C(Cl)C=C(Cl)C=C1 DY746671 [0,2,0,0,0,0|0,0,2]=4 169 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 DY544053 [0,2,0,0,0,0|0,0,0]=2 170 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 DY744337 [0,2,0,0,0,0|0,0,0]=2 171 B12R1.385 O=CCCC1=CC(Br)=C(F)C=C1 DY513777 [0,2,0,0,0,0|0,0,2]=4 172 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 DY553521 [0,2,0,0,0,0|1,0,1]=4 173 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [0,2,0,0,0,0|0,0,1]=3 174 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 NO17400 [0,2,0,0,0,0|0,0,1]=3 175 B12R1.121 COC1=C(OCC=O)C=CC=C1 DY112452 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 NO15311 [0,2,0,0,0,0|0,0,0]=2 177 B12R1.121 O=CCCC1=C(CCl)C=CC=C1 DY503721 [0,2,0,0,0,0|0,0,2]=4 178 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 DY541725 [0,2,0,0,0,0|0,0,2]=4 179 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 DY535083 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 NO21656 [0,2,0,0,0,0|0,0,2]=4 181 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 DY700615 [0,2,0,0,0,0|1,0,1]=4 182 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 DY461268 [0,2,0,0,0,0|0,0,0]=2 183 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 NO10967 [0,2,0,0,0,0|0,0,0]=2 184 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 DY461274 [0,2,0,0,0,0|0,0,0]=2 185 B12R1.125 O=[N+]([O-])\C=C\C1=C(Br)C=CC=C1 DY797253 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 DY535989 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.1631 O=CCCC1=C(Cl)C=CC=C1Cl DY504549 [0,2,0,0,0,0|0,0,2]=4 188 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 DY516825 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.100 O=CCCC1=CC(Cl)=CC(Cl)=C1 DY582471 [0,2,0,0,0,0|0,0,2]=4 190 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 DY457048 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 NO21658 [0,2,0,0,0,0|0,0,2]=4 192 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 NO13948 [0,2,0,0,0,0|0,0,2]=4 193 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 DY532971 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 NO21499 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.226 O=C(O)\C=C\C1=CC(Br)=NC=C1 DY656386 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 NO21503 [0,2,0,0,0,0|0,0,0]=2 197 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 NO10976 [0,2,0,0,0,0|0,0,0]=2 198 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 DY548145 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.8 OCCC\C=C\C1=CC=CC=C1 DY517527 [0,2,0,0,0,0|0,0,2]=4 200 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 DY524049 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [0,2,0,0,0,0|0,0,2]=4 202 B12R1.27 COC(=O)CNC1=CC=CC=C1 DY543123 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.27 NNC(=O)OCC1=CC=CC=C1 NO20449 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 NO19947 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.27 O=C(CO)OCC1=CC=CC=C1 DY547407 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.32 CC(CC1=CC=CC=C1)NC=O DY541845 [0,2,0,0,0,0|0,0,2]=4 207 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [0,2,0,0,0,0|0,0,2]=4 208 B12R1.252 NC(=S)N\N=C\C1=CC=CC=C1 DY529083 [0,2,0,0,0,0|1,1,0]=4 209 B12R1.252 NC(=S)N\N=C\C1=CC=CC=C1 DY582165 [0,2,0,0,0,0|1,1,0]=4 210 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 DY537141 [0,2,0,0,0,0|0,0,2]=4 211 B12R1.252 O=C(O)CNCC1=CC=CC=C1 NO21182 [0,2,0,0,0,0|0,0,2]=4 212 B12R1.252 O=C(O)COCC1=CC=CC=C1 NO14115 [0,2,0,0,0,0|0,0,2]=4 213 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O DY20809 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.43 NC(=O)C(N)Cc1ccccc1 DY438080 [0,2,0,0,0,0|0,0,2]=4 215 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O NO18748 [0,2,0,0,0,0|0,0,2]=4 216 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O NO15443 [0,2,0,0,0,0|0,0,2]=4 217 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O NO21178 [0,2,0,0,0,0|0,0,2]=4 218 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 DY624949 [0,2,0,0,0,0|0,0,2]=4 219 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 NO21095 [0,2,0,0,0,0|0,0,2]=4 220 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 NO15800 [0,2,0,0,0,0|0,0,2]=4 221 B12R1.43 [15NH2]C(CC1=CC=CC=C1)C(=O)O DY454731 [0,2,0,0,0,0|0,0,2]=4 222 B12R1.3110 NC1(\C=C\C(=O)O)C=CC=CC1 DY584554 [0,2,0,0,0,0|0,0,2]=4 223 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 DY20545 [0,0,1,1,0,0|1,0,1]=4 224 B10R1.30 CC1=C(C=O)C=C(F)C=C1 DY20032 [0,0,1,1,0,0|1,0,1]=4 225 B10R1.30 CC1=C(C=O)C=C(O)C=C1 DY452542 [0,0,1,1,0,0|1,0,1]=4 226 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 NO13222 [0,0,1,1,0,0|1,0,1]=4 227 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 NO13430 [0,0,1,1,0,0|2,0,0]=4 228 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 DY20404 [0,0,1,1,0,0|2,0,0]=4 229 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 NO10002 [0,0,1,1,0,0|2,0,0]=4 230 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 NO18798 [0,0,1,1,0,0|2,0,0]=4 231 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 NO10227 [0,0,1,1,0,0|2,0,0]=4 232 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 NO20078 [0,0,1,1,0,0|2,0,0]=4 233 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 DY20546 [0,0,1,1,0,0|2,0,0]=4 234 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 NO19231 [0,0,1,1,0,0|2,0,0]=4 235 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 NO15260 [0,0,1,1,0,0|2,0,0]=4 236 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 NO10234 [0,0,1,1,0,0|2,0,0]=4 237 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 NO10265 [0,0,1,1,0,0|2,0,0]=4 238 B10R1.30 O=CC1=C(F)C=CC(O)=C1 NO13428 [0,0,1,1,0,0|2,0,0]=4 239 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 NO20107 [0,0,1,1,0,0|2,0,0]=4 240 B10R1.30 O=CC1=C(O)C=CC(F)=C1 NO10369 [0,0,1,1,0,0|2,0,0]=4 241 B10R1.30 O=CC1=C(O)C=CC(I)=C1 NO20136 [0,0,1,1,0,0|2,0,0]=4 242 B10R1.30 O=CC1=CC(Br)=CC=C1O NO20084 [0,0,1,1,0,0|2,0,0]=4 243 B10R1.172 C=CC1=CC=CC(CCl)=C1 DY822035 [0,0,1,1,0,0|1,0,1]=4 244 B10R1.172 CCC1=CC=CC(C=O)=C1 NO11688 [0,0,1,1,0,0|0,0,2]=4 245 B10R1.172 COC1=CC=CC(C=O)=C1 NO19170 [0,0,1,1,0,0|1,0,1]=4 246 B10R1.172 N#CC1=CC(C=O)=CC=C1 NO14027 [0,0,1,1,0,0|1,0,1]=4 247 B10R1.172 O=CC1=CC(C=O)=NC=C1 DY663935 [0,0,1,1,0,0|2,0,0]=4 248 B10R1.172 O=CC1=CC=CC(C=O)=N1 DY10353 [0,0,1,1,0,0|2,0,0]=4 249 B10R1.176 C=CC1=CC(F)=C(F)C=C1 NO19052 [0,0,1,1,0,0|2,0,0]=4 250 B10R2.7 C1=CC2=C(C=C1)OC=N2 NO10994 [1,0,0,1,0,0|1,0,1]=4 251 B10R2.7 C1=CC2=C(C=C1)SC=C2 NO16362 [1,0,0,1,0,0|0,1,0]=3 252 B10R2.7 C1=CC2=C(C=C1)SC=N2 NO10992 [1,0,0,1,0,0|1,1,0]=4 253 B10R2.7 C1=CC2=C(C=CN2)C=N1 NO20237 [1,0,0,1,0,0|2,0,0]=4 254 B10R2.7 C1=CC2=C(C=CO2)C=N1 DY545679 [1,0,0,1,0,0|1,0,1]=4 255 B10R2.7 C1=CC2=C(C=CS2)C=N1 DY441330 [1,0,0,1,0,0|1,1,0]=4 256 B10R2.7 C1=CC2=CC=NC=C2N1 NO20238 [1,0,0,1,0,0|2,0,0]=4 257 B10R2.7 C1=CC2=CC=NC=C2S1 NO13198 [1,0,0,1,0,0|1,1,0]=4 258 B10R2.7 C1=CC2=CC=NN2C=C1 DY106678 [1,0,0,1,0,0|2,0,0]=4 259 B10R2.7 C1=CC2=CN=CN2C=C1 NO17747 [1,0,0,1,0,0|2,0,0]=4 260 B10R2.7 C1=CC2=CNN=C2C=C1 DY761306 [1,0,0,1,0,0|2,0,0]=4 261 B10R2.7 C1=CC2=NC=CN2C=C1 NO18927 [1,0,0,1,0,0|2,0,0]=4 262 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [1,0,0,1,0,0|0,0,1]=3 263 B10R2.7 C1=CC=C2NC=CC2=C1 NO11496 [1,0,0,1,0,0|1,0,0]=3 264 B10R2.7 C1=CC=C2NN=CC2=C1 NO11488 [1,0,0,1,0,0|2,0,0]=4 265 B10R2.7 C1=CC=C2OC=CC2=C1 NO11169 [1,0,0,1,0,0|0,0,1]=3 266 B10R2.7 C1=CN=C2C=CNC2=C1 NO20236 [1,0,0,1,0,0|2,0,0]=4 267 B10R2.7 C1=CN=C2NC=CC2=C1 NO10447 [1,0,0,1,0,0|2,0,0]=4 268 B10R2.7 C1=CN=C2SC=CC2=C1 NO14590 [1,0,0,1,0,0|1,1,0]=4 269 B10R2.7 [C-]1=CSC2=CC=CC=C12 DY752635 [1,0,0,1,0,0|0,1,1]=4 270 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 NO19153 [0,1,0,1,0,0|1,0,0]=3 271 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 NO22177 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 NO21394 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 NO22124 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 NO19085 [0,1,0,1,0,0|1,0,0]=3 275 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 NO19165 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 NO21398 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.24 BrC1=CC=C2CCC=CC2=C1 DY763124 [0,1,0,1,0,0|1,0,1]=4 278 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 DY690135 [0,1,0,1,0,0|1,0,0]=3 279 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 NO10941 [0,1,0,1,0,0|1,0,0]=3 280 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 NO14624 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.24 BrC1=CC=C2N=CN=CC2=C1 NO18543 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 NO14598 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 NO21392 [0,1,0,1,0,0|1,0,0]=3 284 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 NO19018 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.24 CC1=CC2=CC=CC=C2C=N1 NO19703 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.24 CC1=CC2=CC=CC=C2N=C1 NO11336 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.24 CC1=CC=C2C=CC=NC2=C1 DY20324 [0,1,0,1,0,0|1,0,0]=3 288 B12R2.24 CC1=CC=C2C=NC=CC2=C1 NO10742 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.24 CC1=CC=C2N=CC=CC2=C1 NO10066 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.24 CC1=NC2=CC=CC=C2C=C1 NO11335 [0,1,0,1,0,0|1,0,0]=3 291 B12R2.24 CC1=NC2=CC=CC=C2N=C1 DY569061 [0,1,0,1,0,0|2,0,0]=4 292 B12R2.24 CC1=NC2=NC=CC=C2C=C1 NO18023 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 NO22238 [0,1,0,1,0,0|2,0,0]=4 294 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 NO22245 [0,1,0,1,0,0|1,0,0]=3 295 B12R2.24 ClC1=CC2=CC=CN=C2N=C1 DY769119 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 NO10811 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 NO11526 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.24 ClC1=CC=C2C=NC=NC2=C1 DY20750 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 NO21425 [0,1,0,1,0,0|1,0,0]=3 300 B12R2.24 ClC1=CC=C2N=CC=NC2=C1 DY559641 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 NO21419 [0,1,0,1,0,0|1,0,0]=3 302 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 NO19965 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 NO16799 [0,1,0,1,0,0|2,0,0]=4 304 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 DY528207 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.24 FC1=CC2=NC=CC=C2N=C1 DY769191 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.24 FC1=CC=C2C=NC=CC2=C1 NO14751 [0,1,0,1,0,0|2,0,0]=4 307 B12R2.24 FC1=CC=C2N=CC=CC2=C1 NO12098 [0,1,0,1,0,0|1,0,0]=3 308 B12R2.24 FC1=CC=C2N=CN=CC2=C1 NO17781 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.24 IC1=CC=C2C=CC=NC2=C1 DY690830 [0,1,0,1,0,0|1,0,0]=3 310 B12R2.24 IC1=CC=C2C=NC=NC2=C1 DY779818 [0,1,0,1,0,0|2,0,0]=4 311 B12R2.24 IC1=CC=C2N=CC=CC2=C1 DY30340 [0,1,0,1,0,0|1,0,0]=3 312 B12R2.24 IC1=CC=C2N=NC=CC2=C1 DY755749 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.24 NC1=CC2=CC=CC=C2C=N1 NO21593 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.24 NC1=CC2=CC=CC=C2N=C1 NO11010 [0,1,0,1,0,0|1,0,0]=3 315 B12R2.24 NC1=CC2=CC=NC=C2N=C1 DY561939 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.24 NC1=CC=C2C=CN=CC2=C1 NO18893 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.24 NC1=CC=C2C=NC=CC2=C1 NO18181 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.24 NC1=CC=C2C=NC=NC2=C1 NO16110 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.24 NC1=CC=C2N=CC=CC2=C1 DY692079 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.24 NC1=CC=C2N=CC=CC2=C1 NO11016 [0,1,0,1,0,0|1,0,0]=3 321 B12R2.24 NC1=CC=C2N=CC=NC2=C1 NO10612 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.24 NC1=NC2=CC=CC=C2C=C1 NO11009 [0,1,0,1,0,0|1,0,0]=3 323 B12R2.24 NC1=NC2=NC=CC=C2C=C1 DY715460 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.24 NC1=NC2=NC=CC=C2C=C1 NO20558 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.24 O=C1C=C2C=CC=CC2=NN1 NO16596 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DY507548 [0,1,0,1,0,0|0,0,0]=2 327 B12R2.24 O=C1C=CC2=CC=NC=C2N1 DY796323 [0,1,0,1,0,0|1,0,0]=3 328 B12R2.24 O=C1C=CC2=NC=CN=C2N1 NO12516 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.24 O=C1C=NC2=C(C=NC=C2)N1 DY716732 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 NO17925 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [0,1,0,1,0,0|0,0,2]=4 332 B12R2.24 O=C1COC2=C(C=CC=C2)N1 NO21568 [0,1,0,1,0,0|1,0,1]=4 333 B12R2.24 O=C1COC2=CC=CC=C2C1 DY681882 [0,1,0,1,0,0|1,0,1]=4 334 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 DY558855 [0,1,0,1,0,0|1,0,1]=4 335 B12R2.24 O=C1N=CC2=CC=CC=C2N1 DY782536 [0,1,0,1,0,0|1,0,0]=3 336 B12R2.24 OC1=CC2=C(C=CC=C2)OC1 DY673380 [0,1,0,1,0,0|0,0,2]=4 337 B12R2.24 OC1=CC2=CC=CC=C2C=C1 NO21708 [0,1,0,1,0,0|0,0,1]=3 338 B12R2.24 OC1=CC2=CC=CC=C2N=C1 NO19154 [0,1,0,1,0,0|1,0,0]=3 339 B12R2.24 OC1=CC=C2C=CC=NC2=C1 NO10982 [0,1,0,1,0,0|1,0,0]=3 340 B12R2.24 OC1=CC=C2N=CC=CC2=C1 DY561585 [0,1,0,1,0,0|1,0,0]=3 341 B12R2.24 OC1=CC=C2OC=CCC2=C1 DY755551 [0,1,0,1,0,0|0,0,2]=4 342 B12R2.24 OC1=NC2=CC=CC=C2N=C1 NO21605 [0,1,0,1,0,0|1,0,1]=4 343 B12R2.24 OC1=NC2=CC=CN=C2C=C1 DY442462 [0,1,0,1,0,0|1,0,1]=4 344 B12R2.24 SC1=NC2=CC=CC=C2C=C1 DY545253 [0,1,0,1,0,0|0,1,0]=3 345 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 NO21529 [0,1,0,1,0,0|1,0,1]=4 346 B12R2.132 CC1=CC=C2NC=C(I)C2=C1 DY727435 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.132 CC1=CNC2=CC=C(N)C=C12 DY728221 [0,1,0,1,0,0|2,0,0]=4 348 B12R2.132 CC1=CNC2=CC=C(O)C=C12 NO14814 [0,1,0,1,0,0|2,0,0]=4 349 B12R2.132 CC1=COC2=C1C=C(O)C=C2 DY459204 [0,1,0,1,0,0|2,0,0]=4 350 B12R2.132 ClC1=CC=C2NC=C(Br)C2=C1 DY20448 [0,1,0,1,0,0|2,0,0]=4 351 B12R2.132 NC1=CC2=C(C=C1)SC=C2Br DY583473 [0,1,0,1,0,0|2,0,0]=4 352 B12R2.132 NC1=CC=C2COC(=O)C2=C1 DY456694 [0,1,0,1,0,0|1,0,1]=4 353 B12R2.132 NC1=CNC2=CC=C(Br)C=C12 DY20498 [0,1,0,1,0,0|2,0,0]=4 354 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 NO13722 [0,1,0,1,0,0|0,0,2]=4 355 B12R2.132 O=C1CCC2=CC=C(I)C=C12 NO19840 [0,1,0,1,0,0|0,0,2]=4 356 B12R2.132 O=C1CCC2=CC=C(O)C=C12 NO15371 [0,1,0,1,0,0|0,0,2]=4 357 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 NO18239 [0,1,0,1,0,0|1,0,1]=4 358 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 NO14261 [0,1,0,1,0,0|1,0,1]=4 359 B12R2.132 O=C1NCC2=CC=C(O)C=C12 DY565923 [0,1,0,1,0,0|1,0,1]=4 360 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 NO15251 [0,1,0,1,0,0|2,0,0]=4 361 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 NO16834 [0,1,0,1,0,0|2,0,0]=4 362 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 NO12535 [0,1,0,1,0,0|1,0,1]=4 363 B12R2.132 O=C1OCC2=CC=C(Cl)C=C12 DY456700 [0,1,0,1,0,0|1,0,1]=4 364 B12R2.132 O=C1ONC2=C1C=C(Cl)C=C2 DY751765 [0,1,0,1,0,0|2,0,0]=4 365 B12R2.2 C1=CC(C2=COC=N2)=CC=N1 DY712213 [0,1,0,1,0,0|2,0,0]=4 366 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 DY114862 [0,1,0,1,0,0|0,0,1]=3 367 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 NO21744 [0,1,0,1,0,0|0,1,0]=3 368 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 NO10486 [0,1,0,1,0,0|0,0,1]=3 369 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 NO16261 [0,1,0,1,0,0|0,1,0]=3 370 B12R2.2 C1=CC=C(C2=CNC=C2)C=C1 DY545949 [0,1,0,1,0,0|1,0,0]=3 371 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 DY773661 [0,1,0,1,0,0|1,0,0]=3 372 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 DY763040 [0,1,0,1,0,0|0,0,1]=3 373 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 NO20795 [0,1,0,1,0,0|1,0,0]=3 374 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 DY779164 [0,1,0,1,0,0|1,0,1]=4 375 B12R2.2 C1=CC=C(N2CC=CC2)C=C1 DY779152 [0,1,0,1,0,0|1,0,1]=4 376 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 NO20822 [0,1,0,1,0,0|2,0,0]=4 377 B12R2.2 C1=CN=CC(N2C=CC=C2)=C1 DY715748 [0,1,0,1,0,0|2,0,0]=4 378 B12R2.2 C1=CN=CC(N2C=CC=C2)=C1 DY716282 [0,1,0,1,0,0|2,0,0]=4 379 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 NO21397 [0,1,0,1,0,0|1,0,0]=3 380 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 NO21395 [0,1,0,1,0,0|2,0,0]=4 381 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 NO21399 [0,1,0,1,0,0|2,0,0]=4 382 B12R2.1081 BrC1=C2C=NC=NC2=CC=C1 NO12892 [0,1,0,1,0,0|2,0,0]=4 383 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 NO21400 [0,1,0,1,0,0|1,0,0]=3 384 B12R2.1081 BrC1=C2N=CC=CC2=CN=C1 DY442546 [0,1,0,1,0,0|2,0,0]=4 385 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 NO22702 [0,1,0,1,0,0|1,0,0]=3 386 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 NO10939 [0,1,0,1,0,0|1,0,0]=3 387 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 DY526749 [0,1,0,1,0,0|1,0,0]=3 388 B12R2.1081 BrC1=NC=CC2=CN=CC=C21 NO16903 [0,1,0,1,0,0|2,0,0]=4 389 B12R2.1081 BrC1=NC=NC2=CC=CC=C21 DY550665 [0,1,0,1,0,0|2,0,0]=4 390 B12R2.1081 BrC1=NN=CC2=CC=CC=C21 DY774315 [0,1,0,1,0,0|2,0,0]=4 391 B12R2.1081 CC1=C2C=NC=NC2=CC=C1 DY781576 [0,1,0,1,0,0|2,0,0]=4 392 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 NO11338 [0,1,0,1,0,0|1,0,0]=3 393 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 NO19791 [0,1,0,1,0,0|2,0,0]=4 394 B12R2.1081 CC1=CC=NC2=CC=CC=C12 NO11332 [0,1,0,1,0,0|1,0,0]=3 395 B12R2.1081 CC1=CN=CC2=CC=CC=C12 NO13187 [0,1,0,1,0,0|1,0,0]=3 396 B12R2.1081 CC1=CN=CC2=CN=CC=C12 DY769251 [0,1,0,1,0,0|2,0,0]=4 397 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 NO21421 [0,1,0,1,0,0|1,0,0]=3 398 B12R2.1081 ClC1=C2C=CC=NC2=CN=C1 DY769125 [0,1,0,1,0,0|2,0,0]=4 399 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 NO21420 [0,1,0,1,0,0|2,0,0]=4 400 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 NO17692 [0,1,0,1,0,0|2,0,0]=4 401 B12R2.1081 ClC1=C2C=NC=NC2=CC=C1 NO17429 [0,1,0,1,0,0|2,0,0]=4 402 B12R2.1081 ClC1=C2CCC=CC2=CC=C1 DY764075 [0,1,0,1,0,0|1,0,1]=4 403 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 NO21426 [0,1,0,1,0,0|1,0,0]=3 404 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 NO19192 [0,1,0,1,0,0|1,0,0]=3 405 B12R2.1081 ClC1=CC=NC2=CN=CC=C12 DY102277 [0,1,0,1,0,0|2,0,0]=4 406 B12R2.1081 ClC1=CC=NC2=NC=CC=C12 NO22716 [0,1,0,1,0,0|2,0,0]=4 407 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 NO12363 [0,1,0,1,0,0|1,0,0]=3 408 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 NO10943 [0,1,0,1,0,0|1,0,0]=3 409 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 NO14833 [0,1,0,1,0,0|2,0,0]=4 410 B12R2.1081 FC1=CC=CC2=CC=CC=C12 DY20582 [0,1,0,1,0,0|1,0,0]=3 411 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 DY689811 [0,1,0,1,0,0|1,0,0]=3 412 B12R2.1081 IC1=CN=CC2=CC=CC=C12 NO12479 [0,1,0,1,0,0|1,0,0]=3 413 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 NO11013 [0,1,0,1,0,0|2,0,0]=4 414 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 NO18182 [0,1,0,1,0,0|2,0,0]=4 415 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 NO22125 [0,1,0,1,0,0|1,0,0]=3 416 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 NO11015 [0,1,0,1,0,0|1,0,0]=3 417 B12R2.1081 NC1=CC=NC2=CC=CC=C12 DY692073 [0,1,0,1,0,0|1,0,0]=3 418 B12R2.1081 NC1=CC=NC2=CC=CC=C12 NO18376 [0,1,0,1,0,0|1,0,0]=3 419 B12R2.1081 NC1=CC=NC2=CC=NC=C12 DY546345 [0,1,0,1,0,0|2,0,0]=4 420 B12R2.1081 NC1=CN=CC2=CC=CC=C12 NO11011 [0,1,0,1,0,0|1,0,0]=3 421 B12R2.1081 NC1=NC=CC2=CC=CC=C21 NO21592 [0,1,0,1,0,0|1,0,0]=3 422 B12R2.1081 O=C1C=CNC2=CC=CC=C12 NO15452 [0,1,0,1,0,0|0,0,0]=2 423 B12R2.1081 O=C1C=CNC2=CC=CN=C12 DY585368 [0,1,0,1,0,0|1,0,0]=3 424 B12R2.1081 O=C1C=NNC2=CC=CC=C12 NO20704 [0,1,0,1,0,0|1,0,0]=3 425 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [0,1,0,1,0,0|0,0,2]=4 426 B12R2.1081 O=C1CCNC2=CC=CC=C12 NO15321 [0,1,0,1,0,0|0,0,2]=4 427 B12R2.1081 O=C1CCOC2=CC=CC=C12 NO22800 [0,1,0,1,0,0|0,0,2]=4 428 B12R2.1081 O=C1CNNC2=CC=CC=C12 DY755743 [0,1,0,1,0,0|1,0,1]=4 429 B12R2.1081 O=C1N=CNC2=C1C=CC=N2 NO11911 [0,1,0,1,0,0|2,0,0]=4 430 B12R2.1081 O=C1NC=CC2=C1N=CC=C2 NO15650 [0,1,0,1,0,0|1,0,0]=3 431 B12R2.1081 O=C1NC=NC2=C1C=CN=C2 NO12238 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [0,1,0,1,0,0|0,0,2]=4 433 B12R2.1081 O=C1NN=CC2=CC=CC=C12 NO19825 [0,1,0,1,0,0|1,0,0]=3 434 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 DY20712 [0,1,0,1,0,0|2,0,0]=4 435 B12R2.1081 O=C1OCCC2=CC=CC=C12 NO12987 [0,1,0,1,0,0|0,0,2]=4 436 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 DY550227 [0,1,0,1,0,0|1,0,1]=4 437 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 DY538893 [0,1,0,1,0,0|1,0,0]=3 438 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 NO10980 [0,1,0,1,0,0|1,0,0]=3 439 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 NO10979 [0,1,0,1,0,0|1,0,1]=4 440 B12R2.1081 OC1=CC=CC2=CC=CC=C12 NO18546 [0,1,0,1,0,0|0,0,1]=3 441 B12R2.1081 OC1=CC=NC2=CC=CC=C12 NO21522 [0,1,0,1,0,0|0,0,1]=3 442 B12R2.1081 OC1=CN=NC2=CC=CC=C12 NO22888 [0,1,0,1,0,0|1,0,1]=4 443 B12R2.1081 OC1=NC=CC2=CC=CC=C21 NO10978 [0,1,0,1,0,0|0,0,1]=3 444 B12R2.1081 OC1=NC=NC2=CC=CC=C21 NO14542 [0,1,0,1,0,0|1,0,1]=4 445 B12R2.1081 O[C@@H]1C=COC2=CC=CC=C21 DY771027 [0,1,0,1,0,0|0,0,2]=4 446 B12R2.2028 C[C@H]1NC(=O)C2=CC=CC=C21 DY622323 [0,1,0,1,0,0|1,0,1]=4 447 B12R2.2028 N=C1NC(=N)C2=CC=CC=C12 NO20376 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 NO22129 [0,1,0,1,0,0|0,0,2]=4 449 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 DY20691 [0,1,0,1,0,0|2,0,0]=4 450 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 NO11876 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 NO21513 [0,1,0,1,0,0|1,0,1]=4 452 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 NO14975 [0,1,0,1,0,0|1,0,1]=4 453 B12R2.32 N#CC1=CC2=CC=CC=C2N1 NO17089 [0,1,0,1,0,0|1,0,1]=4 454 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 DY111185 [0,1,0,1,0,0|1,0,1]=4 455 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 NO10964 [0,1,0,1,0,0|0,0,0]=2 456 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 DY585497 [0,1,0,1,0,0|1,0,0]=3 457 B12R2.32 O=CC1=CC2=CC=CC=C2N1 NO18099 [0,1,0,1,0,0|0,0,0]=2 458 B12R2.32 O=CC1=CC2=CC=NC=C2S1 DY441877 [0,1,0,1,0,0|1,0,0]=3 459 B12R2.32 O=CC1=CC2=NC=CC=C2O1 DY103691 [0,1,0,1,0,0|1,0,0]=3 460 B12R2.32 O=CC1=CN2C=CC=CC2=N1 DY509432 [0,1,0,1,0,0|1,0,0]=3 461 B12R2.32 O=CN1CC2=CC=CC=C2C1 DY709573 [0,1,0,1,0,0|1,0,1]=4 462 B12R2.32 OCC1=CC2=CC=CC=C2C1 DY799617 [0,1,0,1,0,0|0,0,2]=4 463 B12R2.32 OCC1=CC2=CC=CC=C2N1 NO20715 [0,1,0,1,0,0|0,0,2]=4 464 B12R2.196 BrC1=C2NC=C(I)C2=CC=C1 DY587182 [0,1,0,1,0,0|2,0,0]=4 465 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 NO14012 [0,1,0,1,0,0|0,0,2]=4 466 B12R2.196 CC1=CSC2=C1C=CC=C2Br DY441871 [0,1,0,1,0,0|2,0,0]=4 467 B12R2.196 CN1C=CC2=C1C=CC=C2N DY575055 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.196 CN1C=CC2=C1C=CC=C2O NO13327 [0,1,0,1,0,0|2,0,0]=4 469 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 NO22586 [0,1,0,1,0,0|1,0,1]=4 470 B12R2.196 NC1=C2COC(=O)C2=CC=C1 NO14004 [0,1,0,1,0,0|1,0,1]=4 471 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 NO10966 [0,1,0,1,0,0|0,0,2]=4 472 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 NO18751 [0,1,0,1,0,0|0,0,2]=4 473 B12R2.196 O=C1CCC2=C(O)C=CC=C12 NO19922 [0,1,0,1,0,0|0,0,2]=4 474 B12R2.196 O=C1NCC2=C(O)C=CC=C12 NO14659 [0,1,0,1,0,0|1,0,1]=4 475 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 NO22636 [0,1,0,1,0,0|1,0,1]=4 476 B12R2.196 O=C1OCC2=C(O)C=CC=C12 DY751255 [0,1,0,1,0,0|1,0,1]=4 477 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 NO12569 [0,1,0,1,0,0|2,0,0]=4 478 B12R2.203 CC1=CNC2=CC=CC(F)=C12 DY727447 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.203 O=C1CCC2=CC=CC(F)=C12 NO15500 [0,1,0,1,0,0|0,0,2]=4 480 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 NO14262 [0,1,0,1,0,0|1,0,1]=4 481 B12R2.203 O=C1NCC2=CC=CC(F)=C12 DY630654 [0,1,0,1,0,0|1,0,1]=4 482 B12R2.203 O=C1NCC2=CC=CC(O)=C12 DY586744 [0,1,0,1,0,0|1,0,1]=4 483 B12R2.612 CC1=CNC2=CC(O)=CC=C12 DY507137 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 NO10246 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 DY100084 [0,1,0,1,0,0|1,0,1]=4 486 B12R2.612 NC1=CC=C2C(=O)NNC2=C1 DY541761 [0,1,0,1,0,0|2,0,0]=4 487 B12R2.612 NN1C=CC2=CC(Cl)=CC=C21 DY728353 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 NO21498 [0,1,0,1,0,0|0,0,2]=4 489 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 NO22043 [0,1,0,1,0,0|0,0,2]=4 490 B12R2.612 O=C1CCC2=CC(F)=CC=C12 DY10164 [0,1,0,1,0,0|0,0,2]=4 491 B12R2.612 O=C1CCC2=CC(O)=CC=C12 NO11017 [0,1,0,1,0,0|0,0,2]=4 492 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 NO15082 [0,1,0,1,0,0|1,0,1]=4 493 B12R2.612 O=C1COC2=C1C=CC(O)=C2 NO20793 [0,1,0,1,0,0|1,0,1]=4 494 B12R2.612 O=C1NC=C2C=C(Br)C=CN12 DY714115 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 NO12118 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 NO10349 [0,1,0,1,0,0|1,0,1]=4 497 B12R2.612 O=C1NCC2=CC(F)=CC=C12 NO15892 [0,1,0,1,0,0|1,0,1]=4 498 B12R2.612 O=C1NCC2=CC(I)=CC=C12 DY709327 [0,1,0,1,0,0|1,0,1]=4 499 B12R2.612 O=C1NCC2=CC(O)=CC=C12 NO15015 [0,1,0,1,0,0|1,0,1]=4 500 B12R2.612 O=C1NNC2=CC(F)=CC=C12 NO10702 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 NO16833 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.612 O=C1OCC2=C1C=CC(I)=C2 DY751555 [0,1,0,1,0,0|1,0,1]=4 503 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 NO10666 [0,1,0,1,0,0|1,0,1]=4 504 B12R2.612 O=C1OCC2=CC(Cl)=CC=C12 DY751351 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.612 OC1=CNC2=CC(Br)=CC=C12 DY726427 [0,1,0,1,0,0|1,0,1]=4 506 B12R2.1 BrCC1=CSC2=C1C=CC=C2 NO17544 [0,1,0,1,0,0|1,0,1]=4 507 B12R2.1 CON1C=CC2=CC=CC=C21 DY559761 [0,1,0,1,0,0|1,0,1]=4 508 B12R2.1 N#CC1=CC=C2C=CC=CN12 DY683107 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.1 N#CC1=CNC2=CC=CC=C12 NO21455 [0,1,0,1,0,0|1,0,1]=4 510 B12R2.1 NCC1=CNC2=CC=CC=C12 DY515577 [0,1,0,1,0,0|1,0,1]=4 511 B12R2.1 NCC1=CNC2=CC=CC=C12 DY728299 [0,1,0,1,0,0|1,0,1]=4 512 B12R2.1 NCC1=CNC2=CC=CC=C12 NO20093 [0,1,0,1,0,0|1,0,1]=4 513 B12R2.1 O=CC1=C2C=CC=CN2C=N1 NO17748 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.1 O=CC1=CNC2=CC=CC=C12 NO21525 [0,1,0,1,0,0|0,0,0]=2 515 B12R2.1 O=CC1=CNC2=CN=CC=C12 NO15305 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.1 O=CC1=CNC2=NC=CC=C12 NO10502 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.1 O=CC1=COC2=NC=CC=C12 DY430546 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.1 O=CC1=CSC2=C1C=CC=C2 NO21482 [0,1,0,1,0,0|0,0,0]=2 519 B12R2.1 O=CC1=NNC2=CC=CC=C21 NO20713 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.1 O=CC1CNC2=CC=CC=C21 DY630762 [0,1,0,1,0,0|0,0,2]=4 521 B12R2.1 O=CN1CCC2=CC=CC=C21 DY630756 [0,1,0,1,0,0|0,0,2]=4 522 B12R2.1 OCC1=CNC2=C1C=CC=C2 DY20402 [0,1,0,1,0,0|0,0,2]=4 523 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 DY800619 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 NO22136 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.18 CC1=CC2=CC=CC=C2N1C NO10010 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.18 CN1C(N)=CC2=CC=CC=C21 DY106654 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.18 O=C1C2=CC=CC=C2CC1Br DY772371 [0,1,0,1,0,0|0,0,2]=4 528 B12R2.18 O=C1NC2=CC=CC=C2C1=O NO11506 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O DY556599 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.8 O=CCC1=CC=CS1 NO17423 [1,0,0,0,1,0|1,0,1]=4