0 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 NC(=S)NC1=NC=CC=C1 P43125 [0,0,0,0,0,0|3,1,0]=4 18 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.18 O=C([O-])CC1=CN=NC=C1 P10226 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,0,0,0,0,0|1,1,0]=2 32 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|0,0,0]=1 46 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|1,1,1]=4 50 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 B66580 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [0,1,0,0,0,0|1,1,1]=4 70 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [0,1,0,0,0,0|2,1,0]=4 72 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 B45142 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 F1233 [0,1,0,0,0,0|2,1,0]=4 82 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.20 NC1=CC=C(OC(F)F)C=C1 D45886 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.20 OC1=CC=C(OC(F)F)C=C1 D38768 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,1,0,0,0,0|1,0,2]=4 106 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,1,0,0,0,0|0,0,1]=2 115 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.40 O=C(CCl)NC1=NC=CC=N1 C64575 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 K63586 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,1,0,0,0,0|1,1,1]=4 147 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,1,0,0,0,0|1,1,1]=4 148 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 B45140 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.86 FC(F)OC1=C(I)C=CC=C1 D38936 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B62940 [0,1,0,0,0,0|2,1,0]=4 153 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 C39396 [0,1,0,0,0,0|2,1,0]=4 154 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.86 NC1=C(OC(F)F)C=CC=C1 D67331 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.86 O=C(O)CC1=CC=CN=C1Cl C10465 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 C3776 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.157 CC(=O)NC1=CC=CC(Br)=N1 B45691 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 X39275 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 A46342 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 B45689 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 C45700 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,1,0,0,0,0|0,0,0]=1 173 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,1,0,0,0,0|0,0,0]=1 174 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 S49484 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.157 FC(F)OC1=CC=CC(Br)=C1 B45141 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C65282 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.157 NC1=CC=CC(OC(F)F)=C1 D45885 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 B38302 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 C62039 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 F8162 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 B45345 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 C38947 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 F15877 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 B45344 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C45371 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.157 OC1=CC=CC(OC(F)F)=C1 D45518 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 P46415 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.509 FC(F)(F)OC1=CC=CC=C1 T39366 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 P38803 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 P60785 [0,1,0,0,0,0|2,0,0]=3 210 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|2,0,1]=4 211 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|2,0,1]=4 212 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [0,0,0,1,0,0|1,0,1]=3 214 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [0,0,0,1,0,0|1,1,1]=4 215 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 B44414 [0,0,0,1,0,0|2,1,0]=4 217 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,0,0,1,0,0|2,0,1]=4 218 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,0,0,1,0,0|2,0,0]=3 220 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,0,0,1,0,0|1,1,0]=3 221 B11R2.10 CC1=CC2=C(C=CN=C2)N1 M14784 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.10 CC1=CC2=C(C=NC=C2)N1 M12631 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.10 CC1=CC2=CC=CN=C2N1 M0598 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.10 CC1=CC2=NC=CC=C2N1 M25103 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,0,0,1,0,0|1,0,0]=2 226 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [0,0,0,1,0,0|1,1,0]=3 227 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.10 CC1=NC2=NC=CC=C2N1 M45728 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.10 CN1C=C2C=CC=CC2=N1 M14460 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,0,0,1,0,0|2,0,1]=4 233 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 C39328 [0,0,0,1,0,0|2,1,0]=4 236 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C38306 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C41854 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.10 IC1=NC2=C(C=CC=C2)S1 K44444 [0,0,0,1,0,0|2,1,0]=4 240 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,0,0,1,0,0|1,1,1]=4 241 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,0,0,1,0,0|2,0,0]=3 243 B11R2.10 NC1=NC2=C(C=CN=C2)O1 X42470 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.10 NC1=NC2=C(C=NC=C2)O1 X42471 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [0,0,0,1,0,0|2,0,1]=4 246 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,1,0,0|1,0,0]=2 247 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,0,0,1,0,0|2,0,0]=3 248 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,0,0,1,0,0|2,0,0]=3 249 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,0,0,1,0,0|2,0,0]=3 250 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,0,0,1,0,0|2,0,0]=3 251 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,0,0,1,0,0|2,0,0]=3 252 B11R2.10 O=C1CC2=C(N=CN=C2)N1 D10956 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.10 O=C1CN2C=CC=CC2=N1 K46529 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,0,0,1,0,0|2,0,0]=3 255 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [0,0,0,1,0,0|2,1,0]=4 257 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [0,0,0,1,0,0|1,0,0]=2 260 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,0,0,1,0,0|1,0,2]=4 261 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [0,0,0,1,0,0|2,1,0]=4 262 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [0,0,0,1,0,0|1,2,0]=4 263 B11R2.10 S=C1NC2=C(C=CC=N2)O1 X42139 [0,0,0,1,0,0|2,1,0]=4 264 B11R2.10 SC1=NC2=C(C=CC=N2)O1 X42137 [0,0,0,1,0,0|2,1,0]=4 265 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,1,0|2,0,0]=3 266 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,1,0|2,0,0]=3 267 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,1,0|2,0,0]=3 270 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,1,0|2,0,0]=3 271 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,0,0,1,0|2,0,1]=4 272 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [0,0,0,0,1,0|3,0,0]=4 273 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,0,0,0,1,0|1,0,1]=3 274 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,0,0,0,1,0|2,0,1]=4 275 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,0,0,0,1,0|2,0,1]=4 276 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,0,0,0,1,0|2,0,1]=4 277 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,0,0,0,1,0|2,0,1]=4 278 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,0,0,0,1,0|2,0,1]=4 279 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,0,0,1,0|0,0,2]=3 280 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,0,0,0,1,0|1,0,2]=4 281 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,0,0,1,0|1,0,2]=4 282 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,0,0,0,1,0|1,0,1]=3 283 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,0,0,0,1,0|1,0,1]=3 284 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,0,0,0,1,0|2,0,1]=4 285 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,0,0,0,1,0|2,0,1]=4 286 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,0,0,0,1,0|2,0,1]=4 287 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,0,0,0,1,0|2,0,1]=4 288 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,0,0,0,1,0|2,0,1]=4 289 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,0,0,0,1,0|2,0,1]=4 290 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,0,0,0,1,0|2,0,1]=4 291 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,0,0,1,0|0,0,2]=3 292 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,0,0,0,1,0|1,0,2]=4 293 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,0,0,1,0|1,0,2]=4 294 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,1,0|1,0,0]=2 295 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,0,0,0,1,0|2,0,0]=3 296 B9R1.6 C[S@](=O)C1=NC=CC=N1 M41047 [0,0,0,0,1,0|3,0,0]=4 297 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,0,0,1,0|1,0,0]=2 303 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,1,0|2,0,0]=3 304 B9R1.6 NC(=O)C1=NC=NC=C1 P40959 [0,0,0,0,1,0|3,0,0]=4 305 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,0,0,0,1,0|2,0,0]=3 306 B9R1.6 O=C(Cl)C1=CN=CN=C1 P0798 [0,0,0,0,1,0|3,0,0]=4 307 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,0,0,0,1,0|2,0,0]=3 308 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,0,0,1,0|2,0,0]=3 311 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,0,0,0,1,0|3,0,0]=4 314 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,0,0,0,1,0|3,0,0]=4 315 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,0,0,0,1,0|2,0,0]=3 316 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [0,0,0,0,1,0|2,0,0]=3 317 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,1,0|3,0,0]=4 318 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,1,0|3,0,0]=4 319 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,1,0|3,0,0]=4 320 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [0,0,0,0,1,0|3,0,0]=4 321 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,0,1|1,0,0]=2 322 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,0,1|1,0,0]=2 323 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,0,0,0,1|1,1,0]=3 324 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,0,0,0,1|1,0,0]=2 325 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,0,0,0,1|2,0,0]=3 326 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,0,0,0,1|2,0,0]=3 327 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,0,0,0,0,1|2,0,0]=3 328 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,0,0,0,0,1|3,0,0]=4 329 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,0,0,0,0,1|3,0,0]=4 330 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,0,0,0,0,1|3,0,0]=4 331 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,0,0,0,1|3,0,0]=4 332 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,0,0,0,1|2,0,0]=3 333 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,0,0,0,1|3,0,0]=4 334 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,0,0,0,0,1|2,0,0]=3 335 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,0,0,0,1|2,0,0]=3 336 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,0,0,0,0,1|2,1,0]=4 337 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,0,0,0,1|2,0,0]=3 338 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,0,0,0,0,1|3,0,0]=4 339 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,0,0,0,0,1|3,0,0]=4 340 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.2 COC1=CN=NC=C1 M41023 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.2 COC1=NC=CN=C1 M2768 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 COC1=NN=CC=C1 M41021 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.2 O=CC1=CC=NC=C1 P42598 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.2 O=CC1=CN=CC=C1 P13753 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.2 O=CC1=CN=CN=C1 F2817 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 O=CC1=CN=NC=C1 P7445 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 O=CC1=NC=CC=C1 P67836 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 O=CC1=NC=CC=N1 P0152 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 O=CC1=NC=NC=C1 P40755 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,1]=4 360 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|0,0,1]=3 366 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|0,1,1]=4 373 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|0,1,1]=4 388 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|0,0,1]=3 401 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|0,0,1]=3 402 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|0,1,1]=4 406 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [1,1,0,0,0,0|0,1,1]=4 411 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,1,0,0,0,0|1,1,0]=4 415 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,1,0,0,0,0|0,0,1]=3 418 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,1,0,0,0,0|0,0,1]=3 419 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,1,0,0,0,0|0,0,1]=3 420 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,1,0,0,0,0|0,0,1]=3 421 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,1,0,0,0,0|0,0,1]=3 423 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,1,0,0,0,0|0,0,1]=3 425 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,1,0,0,0,0|0,1,1]=4 426 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.17 NCCOC1=CC=NC=C1 P46588 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.17 NCCOC1=NC=CC=C1 P43633 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [0,1,0,0,1,0|1,0,0]=3 435 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [0,1,0,0,1,0|1,0,0]=3 436 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,1,0,0,1,0|0,0,0]=2 437 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,1,0,0,1,0|0,0,0]=2 438 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,1,0,0,1,0|0,0,0]=2 439 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,1,0,0,1,0|0,0,0]=2 440 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,1,0,0,1,0|0,0,0]=2 441 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,1,0,0,1,0|0,0,0]=2 442 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,1,0,0,1,0|1,0,0]=3 443 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,1,0|1,0,0]=3 444 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [0,1,0,0,1,0|2,0,0]=4 445 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,1,0,0,1,0|1,0,0]=3 446 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 C16565 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,1,0,0,1,0|1,0,0]=3 448 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,1,0,0,1,0|1,0,0]=3 449 B10R1.13 CC(=O)C1=CN=C(N)N=C1 A43099 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [0,1,0,0,1,0|1,0,0]=3 451 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,1,0,0,1,0|1,0,0]=3 452 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 B11274 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.13 CC(=O)C1=NC=C(F)C=N1 F9990 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,1,0,0,1,0|1,0,0]=3 457 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 A15077 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [0,1,0,0,1,0|1,0,1]=4 460 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [0,1,0,0,1,0|1,0,1]=4 461 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [0,1,0,0,1,0|1,0,1]=4 462 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [0,1,0,0,1,0|1,0,1]=4 463 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [0,1,0,0,1,0|2,0,0]=4 464 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,1,0,0,1,0|1,0,0]=3 465 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,1,0,0,1,0|1,0,1]=4 466 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,1,0,0,1,0|1,0,0]=3 467 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,1,0,0,1,0|1,0,1]=4 468 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,1,0,0,1,0|1,0,1]=4 469 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,1,0,0,1,0|0,0,2]=4 470 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [0,1,0,0,1,0|2,0,0]=4 471 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,1,0,0,1,0|1,0,0]=3 472 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,1,0,0,1,0|2,0,0]=4 474 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [0,1,0,0,1,0|1,0,1]=4 480 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [0,1,0,0,1,0|1,0,1]=4 481 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [0,1,0,0,1,0|1,0,1]=4 483 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [0,1,0,0,1,0|0,0,2]=4 484 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [0,1,0,0,1,0|0,0,2]=4 485 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [0,1,0,0,1,0|0,0,2]=4 486 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [0,1,0,0,1,0|1,0,1]=4 487 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [0,1,0,0,1,0|1,0,1]=4 488 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [0,1,0,0,1,0|1,0,1]=4 489 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [0,1,0,0,1,0|1,0,1]=4 490 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [0,1,0,0,1,0|1,0,1]=4 492 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [0,1,0,0,1,0|1,0,1]=4 493 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [0,1,0,0,1,0|1,0,1]=4 494 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [0,1,0,0,1,0|0,0,2]=4 496 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [0,1,0,0,1,0|0,0,2]=4 497 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [0,1,0,0,1,0|0,0,2]=4 498 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [0,1,0,0,1,0|0,0,2]=4 499 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [0,1,0,0,1,0|0,0,2]=4 500 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45615 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45619 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C45622 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F46534 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F9396 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A4675 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,1,0,0,1,0|1,0,0]=3 510 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,1,0,0,1,0|1,0,0]=3 511 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [0,1,0,0,1,0|2,0,0]=4 512 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [0,1,0,0,1,0|2,0,0]=4 516 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 C64929 [0,1,0,0,1,0|1,1,0]=4 518 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [0,1,0,0,1,0|1,1,0]=4 519 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [0,1,0,0,1,0|2,0,0]=4 520 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [0,1,0,0,1,0|2,0,0]=4 522 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [0,1,0,0,1,0|1,0,0]=3 523 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [0,1,0,0,1,0|1,0,0]=3 524 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [0,1,0,0,1,0|1,0,0]=3 525 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [0,1,0,0,1,0|2,0,0]=4 526 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [0,1,0,0,1,0|2,0,0]=4 534 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F68090 [0,1,0,0,1,0|2,0,0]=4 535 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.13 O=[S@]([O-])C1=CC=C(F)C=C1 S42324 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.28 CC(C)(N)C1=CC=CC=C1 P32201 [0,1,0,0,1,0|1,0,1]=4 538 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [0,1,0,0,1,0|0,0,2]=4 539 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T68550 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T69020 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 B69318 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,1,0,0,1,0|1,0,0]=3 544 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,1,0,0,1,0|0,0,0]=2 545 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,1,0,0,1,0|1,0,0]=3 547 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 B37228 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,1,0|0,0,0]=2 549 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,1,0|1,0,0]=3 550 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,1,0,0,1,0|0,0,0]=2 552 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,1,0,0,1,0|1,0,0]=3 554 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,1,0,0,1,0|0,0,0]=2 555 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,1,0|1,0,0]=3 556 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,1,0,0,1,0|1,0,0]=3 557 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,1,0,0,1,0|0,0,0]=2 558 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,1,0,0,1,0|0,0,0]=2 559 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,1,0,0,1,0|1,0,0]=3 560 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,1,0,0,1,0|1,0,0]=3 562 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,1,0|1,0,0]=3 563 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,1,0,0,1,0|1,0,0]=3 567 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,1,0|1,0,0]=3 568 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,1,0|2,0,0]=4 569 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,1,0,0,1,0|2,0,0]=4 570 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,1,0,0,1,0|2,0,0]=4 571 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [0,1,0,0,1,0|1,0,1]=4 572 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [0,1,0,0,1,0|1,0,1]=4 573 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [0,1,0,0,1,0|1,0,1]=4 574 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,1,0,0,1,0|1,0,0]=3 576 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,1,0,0,1,0|2,0,0]=4 580 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,1,0|2,0,0]=4 581 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [0,1,0,0,1,0|2,0,0]=4 582 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [0,1,0,0,1,0|1,1,0]=4 583 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,1,0,0,1,0|1,0,1]=4 584 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,1,0,0,1,0|1,0,1]=4 585 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,1,0,0,1,0|2,0,0]=4 586 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [0,1,0,0,1,0|2,0,0]=4 588 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [0,1,0,0,1,0|2,0,0]=4 589 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [0,1,0,0,1,0|2,0,0]=4 590 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [0,1,0,0,1,0|1,0,1]=4 592 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [0,1,0,0,1,0|1,0,1]=4 593 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [0,1,0,0,1,0|1,0,1]=4 594 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [0,1,0,0,1,0|1,0,1]=4 595 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [0,1,0,0,1,0|0,0,2]=4 596 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [0,1,0,0,1,0|0,0,2]=4 597 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [0,1,0,0,1,0|0,0,2]=4 598 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [0,1,0,0,1,0|1,0,1]=4 599 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [0,1,0,0,1,0|1,0,1]=4 600 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [0,1,0,0,1,0|1,0,1]=4 601 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [0,1,0,0,1,0|1,0,1]=4 602 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [0,1,0,0,1,0|1,0,1]=4 603 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [0,1,0,0,1,0|1,0,1]=4 604 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [0,1,0,0,1,0|1,0,1]=4 605 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [0,1,0,0,1,0|1,0,1]=4 606 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [0,1,0,0,1,0|0,0,2]=4 607 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [0,1,0,0,1,0|0,0,2]=4 608 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [0,1,0,0,1,0|0,0,2]=4 609 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [0,1,0,0,1,0|0,0,2]=4 610 B10R1.61 N=C(N)C1=C(F)C=CC=C1 F46532 [0,1,0,0,1,0|2,0,0]=4 611 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,1,0,0,1,0|1,0,0]=3 612 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 B42449 [0,1,0,0,1,0|2,0,0]=4 613 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 C42454 [0,1,0,0,1,0|2,0,0]=4 614 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 C42455 [0,1,0,0,1,0|2,0,0]=4 615 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,1,0,0,1,0|1,0,0]=3 617 B10R1.61 NC(=O)C1=C(N)C=CN=C1 A3037 [0,1,0,0,1,0|2,0,0]=4 618 B10R1.61 NC(=O)C1=C(N)C=NC=C1 A3921 [0,1,0,0,1,0|2,0,0]=4 619 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [0,1,0,0,1,0|2,0,0]=4 620 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.61 NC(=O)C1=NC=CC=C1N A15555 [0,1,0,0,1,0|2,0,0]=4 622 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,1,0,0,1,0|2,0,0]=4 623 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A1102 [0,1,0,0,1,0|2,0,0]=4 624 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,1,0,0,1,0|1,0,0]=3 627 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 B1556 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C42250 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.61 O=C(O)C1=C(F)C=NC=C1 F1912 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,1,0,0,1,0|2,0,0]=4 636 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,1,0,0,1,0|2,0,0]=4 638 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,1,0,0,1,0|2,0,0]=4 639 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,1,0,0,1,0|2,0,0]=4 640 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,1,0,0,1,0|2,0,0]=4 641 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,1,0,0,1,0|2,0,0]=4 643 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 F68062 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 B48877 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,1,0,0,1,0|1,0,0]=3 647 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,1,0|0,0,0]=2 648 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,1,0|1,0,0]=3 649 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,1,0,0,1,0|1,0,0]=3 651 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,1,0,0,1,0|0,0,0]=2 652 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,1,0,0,1,0|0,0,0]=2 653 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,1,0|1,0,0]=3 654 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,1,0,0,1,0|0,0,0]=2 655 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,1,0|1,0,0]=3 656 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,1,0,0,1,0|0,0,0]=2 657 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,1,0|1,0,0]=3 658 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,1,0,0,1,0|0,0,0]=2 659 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 C32407 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,1,0|1,0,0]=3 661 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,1,0|1,0,0]=3 663 B10R1.113 CC(=O)C1=NC(N)=NC=C1 A14288 [0,1,0,0,1,0|2,0,0]=4 664 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,1,0,0,1,0|1,0,0]=3 665 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,1,0,0,1,0|1,0,0]=3 667 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M45984 [0,1,0,0,1,0|2,0,0]=4 668 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [0,1,0,0,1,0|1,0,1]=4 669 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [0,1,0,0,1,0|1,0,1]=4 670 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [0,1,0,0,1,0|1,0,1]=4 671 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,1,0|2,0,0]=4 672 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,1,0,0,1,0|2,0,0]=4 673 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [0,1,0,0,1,0|2,0,0]=4 674 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,1,0,0,1,0|1,0,1]=4 677 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,1,0,0,1,0|1,0,1]=4 678 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,1,0,0,1,0|1,0,1]=4 679 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49538 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49665 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.113 CN(C)C1=CC=CC(Br)=C1 B68052 [0,1,0,0,1,0|2,0,0]=4 683 B10R1.113 CN(C)C1=CC=CC(F)=C1 F46763 [0,1,0,0,1,0|2,0,0]=4 684 B10R1.113 CN(C)C1=CC=CC([Mg+])=C1 D31761 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [0,1,0,0,1,0|1,0,1]=4 686 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [0,1,0,0,1,0|1,0,1]=4 687 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [0,1,0,0,1,0|0,0,2]=4 690 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [0,1,0,0,1,0|1,0,1]=4 692 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [0,1,0,0,1,0|1,0,1]=4 693 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [0,1,0,0,1,0|1,0,1]=4 694 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [0,1,0,0,1,0|1,0,1]=4 695 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [0,1,0,0,1,0|1,0,1]=4 696 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [0,1,0,0,1,0|1,0,1]=4 697 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [0,1,0,0,1,0|1,0,1]=4 698 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [0,1,0,0,1,0|0,0,2]=4 699 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [0,1,0,0,1,0|0,0,2]=4 700 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 B45618 [0,1,0,0,1,0|2,0,0]=4 701 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 C69433 [0,1,0,0,1,0|2,0,0]=4 702 B10R1.113 N=C(N)C1=CC=CC(F)=C1 F46533 [0,1,0,0,1,0|2,0,0]=4 703 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 B42448 [0,1,0,0,1,0|2,0,0]=4 704 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,1,0,0,1,0|1,0,0]=3 706 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,1,0,0,1,0|1,0,0]=3 707 B10R1.113 NC(=O)C1=CN=CC(N)=C1 A43095 [0,1,0,0,1,0|2,0,0]=4 708 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,1,0,0,1,0|2,0,0]=4 709 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 B12089 [0,1,0,0,1,0|2,0,0]=4 710 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 H15729 [0,1,0,0,1,0|2,0,0]=4 711 B10R1.113 NC(=O)C1=NC=CC(N)=C1 A43091 [0,1,0,0,1,0|2,0,0]=4 712 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [0,1,0,0,1,0|2,0,0]=4 713 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [0,1,0,0,1,0|2,0,0]=4 714 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,1,0,0,1,0|2,0,0]=4 716 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 N43520 [0,1,0,0,1,0|2,0,0]=4 717 B10R1.113 NC1=NC=CC(C(=O)O)=C1 A3938 [0,1,0,0,1,0|2,0,0]=4 718 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,1,0,0,1,0|1,0,0]=3 719 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C42007 [0,1,0,0,1,0|2,0,0]=4 720 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [0,1,0,0,1,0|2,0,0]=4 721 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 B2422 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C12400 [0,1,0,0,1,0|2,0,0]=4 724 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.113 O=C(O)C1=CC(F)=NC=C1 F42254 [0,1,0,0,1,0|2,0,0]=4 726 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H3170 [0,1,0,0,1,0|2,0,0]=4 727 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H38104 [0,1,0,0,1,0|2,0,0]=4 728 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,1,0,0,1,0|1,0,0]=3 729 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,1,0,0,1,0|2,0,0]=4 730 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,1,0,0,1,0|1,0,0]=3 731 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,1,0,0,1,0|2,0,0]=4 732 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,1,0,0,1,0|1,0,0]=3 733 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,1,0,0,1,0|2,0,0]=4 734 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [0,1,0,0,1,0|2,0,0]=4 735 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [0,1,0,0,1,0|2,0,0]=4 737 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [0,1,0,0,1,0|2,0,0]=4 738 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,1,0,0,1,0|2,0,0]=4 739 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 F42253 [0,1,0,0,1,0|2,0,0]=4 740 B10R1.27 COC(=O)CC1=CSC=C1 M12831 [0,1,0,0,1,0|2,0,0]=4 741 B10R1.54 CC(=O)NC1=CC=C(Br)S1 B42894 [0,1,0,0,1,0|2,0,0]=4 742 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 X24459 [0,1,0,0,1,0|0,0,2]=4 743 B10R1.64 CC(=O)SC1=C(C)OC=C1 M46247 [0,1,0,0,1,0|1,1,0]=4 744 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [0,1,0,0,0,1|1,0,0]=3 745 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,1,0,0,0,1|1,0,0]=3 746 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,1,0,0,0,1|2,0,0]=4 747 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,1,0,0,0,1|2,0,0]=4 748 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,1,0,0,0,1|1,0,0]=3 750 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [0,1,0,0,0,1|2,0,0]=4 751 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,1,0,0,0,1|2,0,0]=4 755 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,1,0,0,0,1|2,0,0]=4 756 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,1,0,0,0,1|1,0,1]=4 757 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,1,0,0,0,1|0,0,1]=3 758 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,1,0,0,0,1|1,0,0]=3 759 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,1,0,0,0,1|1,0,0]=3 760 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,1,0,0,0,1|0,0,0]=2 761 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,1,0,0,0,1|1,0,0]=3 762 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,1,0,0,0,1|0,0,2]=4 763 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,1,0,0,0,1|0,0,0]=2 764 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,1,0,0,0,1|1,0,0]=3 765 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,1,0,0,0,1|1,0,0]=3 766 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,1,0,0,0,1|0,0,0]=2 767 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,1,0,0,0,1|0,0,0]=2 768 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,0,1|1,0,0]=3 770 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,0,0,0,1|1,0,0]=3 771 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,0,0,0,1|1,0,0]=3 772 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,0,1|2,0,0]=4 778 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,0,1|2,0,0]=4 779 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,1,0,0,0,1|2,0,0]=4 780 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,0,1|1,0,0]=3 782 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,0,0,0,1|1,0,0]=3 783 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,0,1|0,0,0]=2 784 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,1,0,0,0,1|2,0,0]=4 785 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,1,0,0,0,1|2,0,0]=4 786 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,1,0,0,0,1|2,0,0]=4 791 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,0,0,0,1|1,0,0]=3 796 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,1,0,0,0,1|1,0,0]=3 799 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,1,0,0,0,1|1,0,0]=3 804 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,1,0,0,0,1|1,1,0]=4 805 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,1,0,0,0,1|1,0,0]=3 811 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,1,0,0,0,1|1,0,0]=3 819 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,1,0,0,0,1|1,0,0]=3 820 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 C60964 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,2,0,0,0,0|0,0,0]=2 826 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 P63801 [0,2,0,0,0,0|1,0,1]=4 827 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 P52789 [0,2,0,0,0,0|1,0,1]=4 828 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 P52189 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 C51175 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 A52120 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 B51900 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.19 CC(=O)NC1=CC(Br)=C(F)C=C1 B48547 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 C65828 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 C48957 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 F51951 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A48971 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 B38612 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 B48138 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D39472 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C24991 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 B48139 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 C48175 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 D68031 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [0,2,0,0,0,0|0,0,0]=2 879 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 M50074 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 M25037 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 M10106 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 B62262 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 B53015 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.106 CS(=O)(=O)NC1=CC=C(Br)C=C1 B66452 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.106 CS(=O)(=O)NC1=CC=C(N)C=C1 M43670 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.106 O=P([O-])([O-])OC1=CC=C(O)C=C1 S42720 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 B51652 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 D37777 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 B48546 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.233 CC(=O)NC1=C(F)C=C(C)C=C1 F49864 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 B49958 [0,2,0,0,0,0|1,0,1]=4 899 B12R1.233 CC(C)OC1=C(N)C=C(Br)C=C1 B50253 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 F51952 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 D52798 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 F51945 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 D48117 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 B48126 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 B48142 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 B48128 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 D68786 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 C48172 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 B48143 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 C48170 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 D69394 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 F48685 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 S49482 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 A39505 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 B39471 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 A46679 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 A48925 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48954 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48962 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 A48960 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 B47799 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 M39605 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 A50055 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.478 CC(=O)[C@H](C#N)C1=NC=CC=C1 X51359 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 P52669 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.478 N#C[C@@H](C(N)=O)C1=CC=CC=C1 C51349 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,2,0,0,0,0|1,0,0]=3 947 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 C51350 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 A20644 [0,2,0,0,0,0|1,0,1]=4 954 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 H51779 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 M37671 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 M62883 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 M48959 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 M29585 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.50 COC(=O)CC1=NC=CC(C)=C1 M50073 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 C64587 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 M1596 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 M63870 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,2,0,0,0,0|1,0,0]=3 975 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 M67182 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.75 C=CC1=C(OC(C)C)C=CC=C1 P54756 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 B51880 [0,2,0,0,0,0|0,0,0]=2 979 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 C37989 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 A69642 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 C51930 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 F66585 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.127 CC(=O)NC1=C(C)C=CC(F)=C1 A49862 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.127 CC(=O)NC1=C(I)C=CC(F)=C1 F48552 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.127 CC(C)OC1=C(Cl)C=CC(Br)=C1 B49957 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.127 CC(C)OC1=C(N)C=CC(F)=C1 F28703 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.127 CC1=C(CC(=O)O)C=C(Br)C=C1 B51909 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.127 CC1=C(OC(C)C)C=C(N)C=C1 P54195 [0,2,0,0,0,0|1,0,1]=4 992 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 D39606 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.127 NC1=CC(CC(=O)O)=C(F)C=C1 A48972 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 D22214 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 B48127 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 B48137 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Br)=C1 B37983 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Cl)=C1 D48161 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 C48169 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 B48140 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 C38017 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 B67200 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 B48648 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.151 CS(=O)(=O)CC1=C(Br)C=CC=C1 B49383 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.224 CC1=C(F)C=CC=C1CC(=O)O F51950 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C D52800 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1F B37054 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1F C48173 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Br B48141 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Cl C48171 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.224 O=C(O)CC1=CC=CC(F)=C1F D48190 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O D52807 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br D48118 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl D68787 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.101 CC(C)OC1=CC(Br)=CC(Br)=C1 D49956 [0,2,0,0,0,0|1,0,1]=4 1016 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 D68844 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 D48119 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 D38607 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 C48174 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 D48186 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.119 CS(=O)(=O)NC1=CC(N)=CC=C1 M43669 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.119 CS(=O)(=O)NC1=CC=CC(Br)=C1 B46134 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 X65528 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.438 CC(=O)NC1=CC(CN)=CC=C1 A64547 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.438 CC(=O)OC1=CC(C=O)=CC=C1 F51622 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.438 CC(=O)OC1=CC=CC(CBr)=C1 B51881 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [0,2,0,0,0,0|1,0,0]=3 1029 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [0,2,0,0,0,0|1,0,0]=3 1030 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 C51174 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 F51625 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,0,1,1,0,0|1,0,1]=4 1033 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|2,0,0]=4 1034 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|2,0,0]=4 1035 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|2,0,0]=4 1036 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|2,0,0]=4 1037 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,0]=3 1038 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|0,0,1]=3 1039 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|0,0,2]=4 1040 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,1,0,0|1,1,0]=4 1041 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [1,0,0,1,0,0|1,0,1]=4 1042 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [1,0,0,1,0,0|2,0,0]=4 1043 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [1,0,0,1,0,0|1,0,1]=4 1044 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [1,0,0,1,0,0|2,0,0]=4 1045 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [1,0,0,1,0,0|2,0,0]=4 1046 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|1,0,0]=3 1047 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,1,0,1|1,0,0]=3 1048 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,0,0,1,0,1|2,0,0]=4 1049 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,1,0,1|0,0,0]=2 1050 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,0,1|2,0,0]=4 1051 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,1,0,1|1,0,0]=3 1052 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,1,0,1|1,0,0]=3 1053 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [0,0,0,1,0,1|2,0,0]=4 1054 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [0,0,0,1,0,1|2,0,0]=4 1055 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,1,0,1|2,0,0]=4 1056 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [0,0,0,1,0,1|0,0,2]=4 1057 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 B24529 [0,1,0,1,0,0|2,0,0]=4 1058 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 C24527 [0,1,0,1,0,0|2,0,0]=4 1059 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 F23531 [0,1,0,1,0,0|2,0,0]=4 1060 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 I18181 [0,1,0,1,0,0|2,0,0]=4 1061 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 M13891 [0,1,0,1,0,0|2,0,0]=4 1062 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 M24189 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [0,1,0,1,0,0|1,0,0]=3 1064 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 D52503 [0,1,0,1,0,0|2,0,0]=4 1065 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [0,1,0,1,0,0|1,0,0]=3 1066 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [0,1,0,1,0,0|1,0,0]=3 1067 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M48816 [0,1,0,1,0,0|2,0,0]=4 1068 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 D17352 [0,1,0,1,0,0|2,0,0]=4 1069 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 M48557 [0,1,0,1,0,0|1,1,0]=4 1070 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [0,1,0,1,0,0|1,0,0]=3 1071 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 M48797 [0,1,0,1,0,0|2,0,0]=4 1072 B12R2.606 CC1=CC2=C(C=C1)SC(C)=N2 D62175 [0,1,0,1,0,0|1,1,0]=4 1073 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 B16417 [0,1,0,1,0,0|2,0,0]=4 1074 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 C16418 [0,1,0,1,0,0|2,0,0]=4 1075 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 F12894 [0,1,0,1,0,0|2,0,0]=4 1076 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M18691 [0,1,0,1,0,0|2,0,0]=4 1077 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 B48073 [0,1,0,1,0,0|1,0,0]=3 1078 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)S1 B24105 [0,1,0,1,0,0|1,1,0]=4 1079 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 C48089 [0,1,0,1,0,0|1,0,0]=3 1080 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 C47966 [0,1,0,1,0,0|1,1,0]=4 1081 B12R2.606 CC1=NC2=C(C=C(F)C=C2)S1 F47982 [0,1,0,1,0,0|1,1,0]=4 1082 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 M48804 [0,1,0,1,0,0|1,0,0]=3 1083 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 B38068 [0,1,0,1,0,0|2,0,0]=4 1084 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 B38129 [0,1,0,1,0,0|1,0,0]=3 1085 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 B38040 [0,1,0,1,0,0|1,1,0]=4 1086 B12R2.606 CC1=NC2=C(C=CC(F)=C2)N1 F48344 [0,1,0,1,0,0|2,0,0]=4 1087 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 F48105 [0,1,0,1,0,0|1,0,0]=3 1088 B12R2.606 CC1=NC2=C(C=CC(I)=C2)N1 K48348 [0,1,0,1,0,0|2,0,0]=4 1089 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49203 [0,1,0,1,0,0|2,0,0]=4 1090 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49624 [0,1,0,1,0,0|2,0,0]=4 1091 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 M61203 [0,1,0,1,0,0|1,0,0]=3 1092 B12R2.606 CC1=NC2=C(C=CC(N)=C2)S1 M69049 [0,1,0,1,0,0|1,1,0]=4 1093 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 M48808 [0,1,0,1,0,0|2,0,0]=4 1094 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [0,1,0,1,0,0|1,0,0]=3 1095 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 B32438 [0,1,0,1,0,0|2,0,0]=4 1096 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 B39013 [0,1,0,1,0,0|2,0,0]=4 1097 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 D44181 [0,1,0,1,0,0|2,0,0]=4 1098 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 D13938 [0,1,0,1,0,0|2,0,0]=4 1099 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 B37658 [0,1,0,1,0,0|2,0,0]=4 1100 B12R2.606 FC1=CC2=C(C=C1)OC(S)=N2 F44554 [0,1,0,1,0,0|1,1,0]=4 1101 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [0,1,0,1,0,0|1,0,0]=3 1102 B12R2.606 NC1=CC2=C(C=C1)N=C(O)O2 A62037 [0,1,0,1,0,0|1,0,1]=4 1103 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [0,1,0,1,0,0|1,0,0]=3 1104 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [0,1,0,1,0,0|1,0,0]=3 1105 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 A69233 [0,1,0,1,0,0|2,0,0]=4 1106 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 A45264 [0,1,0,1,0,0|1,1,0]=4 1107 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [0,1,0,1,0,0|0,0,0]=2 1108 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 A44824 [0,1,0,1,0,0|2,0,0]=4 1109 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 A44834 [0,1,0,1,0,0|2,0,0]=4 1110 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 B44826 [0,1,0,1,0,0|2,0,0]=4 1111 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 B51311 [0,1,0,1,0,0|1,0,0]=3 1112 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [0,1,0,1,0,0|1,0,0]=3 1113 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 C51319 [0,1,0,1,0,0|1,0,0]=3 1114 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [0,1,0,1,0,0|1,0,0]=3 1115 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [0,1,0,1,0,0|1,0,0]=3 1116 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [0,1,0,1,0,0|1,0,0]=3 1117 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [0,1,0,1,0,0|1,0,0]=3 1118 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 B7653 [0,1,0,1,0,0|2,0,0]=4 1119 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 P5501 [0,1,0,1,0,0|2,0,0]=4 1120 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [0,1,0,1,0,0|1,0,0]=3 1121 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 B17259 [0,1,0,1,0,0|2,0,0]=4 1122 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 C12509 [0,1,0,1,0,0|2,0,0]=4 1123 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 B0774 [0,1,0,1,0,0|2,0,0]=4 1124 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 B10998 [0,1,0,1,0,0|2,0,0]=4 1125 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 C0439 [0,1,0,1,0,0|2,0,0]=4 1126 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 C0457 [0,1,0,1,0,0|2,0,0]=4 1127 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 F0566 [0,1,0,1,0,0|2,0,0]=4 1128 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 C7906 [0,1,0,1,0,0|2,0,0]=4 1129 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 B0533 [0,1,0,1,0,0|2,0,0]=4 1130 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 C0694 [0,1,0,1,0,0|2,0,0]=4 1131 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 B36673 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 B69565 [0,1,0,1,0,0|1,0,0]=3 1133 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 B44524 [0,1,0,1,0,0|1,1,0]=4 1134 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 C69352 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 C38265 [0,1,0,1,0,0|1,1,0]=4 1136 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 F44847 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 F44553 [0,1,0,1,0,0|1,1,0]=4 1138 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 B44447 [0,1,0,1,0,0|1,0,0]=3 1139 B12R2.606 O=C1NC2=C(C=CC(F)=C2)O1 F44453 [0,1,0,1,0,0|1,0,0]=3 1140 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 B41837 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 C41838 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)O1 C63973 [0,1,0,1,0,0|1,1,0]=4 1143 B12R2.606 S=C1NC2=C(C=CC(Br)=C2)O1 B44526 [0,1,0,1,0,0|1,1,0]=4 1144 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 C44542 [0,1,0,1,0,0|1,1,0]=4 1145 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,1,0,1,0,0|1,0,0]=3 1146 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 B37673 [0,1,0,1,0,0|1,1,0]=4 1147 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,1,0,1,0,0|1,0,0]=3 1151 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 M62649 [0,1,0,1,0,0|2,0,0]=4 1152 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 M62647 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,1,0,1,0,0|2,0,0]=4 1154 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,1,0,1,0,0|2,0,0]=4 1155 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 M18676 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|1,0,1]=4 1157 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,1,0,1,0,0|1,0,0]=3 1158 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 B48072 [0,1,0,1,0,0|1,0,0]=3 1159 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [0,1,0,1,0,0|2,0,0]=4 1161 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [0,1,0,1,0,0|1,0,0]=3 1162 B12R2.32 CCC1=NC2=C(C=CC=N2)O1 E48800 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 M48556 [0,1,0,1,0,0|1,0,0]=3 1165 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 M69659 [0,1,0,1,0,0|1,1,0]=4 1166 B12R2.32 CSC1=NC2=C(C=CC=N2)O1 M45265 [0,1,0,1,0,0|2,0,0]=4 1167 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 C48331 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 C48088 [0,1,0,1,0,0|1,0,0]=3 1169 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 C47967 [0,1,0,1,0,0|1,1,0]=4 1170 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [0,1,0,1,0,0|1,0,1]=4 1171 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [0,1,0,1,0,0|2,0,0]=4 1172 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49625 [0,1,0,1,0,0|2,0,0]=4 1173 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49689 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B9950 [0,1,0,1,0,0|2,0,0]=4 1175 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [0,1,0,1,0,0|1,0,1]=4 1176 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [0,1,0,1,0,0|0,0,1]=3 1177 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [0,1,0,1,0,0|0,1,1]=4 1178 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [0,1,0,1,0,0|1,0,1]=4 1179 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [0,1,0,1,0,0|1,1,0]=4 1181 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [0,1,0,1,0,0|2,0,0]=4 1182 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [0,1,0,1,0,0|1,1,0]=4 1183 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 B28661 [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [0,1,0,1,0,0|1,0,0]=3 1185 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B69048 [0,1,0,1,0,0|1,1,0]=4 1186 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,1,0,0|0,0,2]=4 1187 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,1,0,1,0,0|1,0,1]=4 1188 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 D45828 [0,1,0,1,0,0|2,0,0]=4 1189 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 B24528 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 B10696 [0,1,0,1,0,0|2,0,0]=4 1192 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 C12674 [0,1,0,1,0,0|2,0,0]=4 1193 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [0,1,0,1,0,0|1,0,0]=3 1194 B12R2.202 CC1=CC=CC2=C1NC(C)=N2 D63300 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 M48820 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B48311 [0,1,0,1,0,0|2,0,0]=4 1197 B12R2.202 CC1=NC2=C(Br)C=CC=C2S1 B37098 [0,1,0,1,0,0|1,1,0]=4 1198 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 F48104 [0,1,0,1,0,0|1,0,0]=3 1199 B12R2.202 CC1=NC2=CN=CC(Br)=C2O1 B44832 [0,1,0,1,0,0|2,0,0]=4 1200 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [0,1,0,1,0,0|1,0,0]=3 1201 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [0,1,0,1,0,0|1,0,0]=3 1202 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 B44825 [0,1,0,1,0,0|2,0,0]=4 1203 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 H45228 [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 B44827 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [0,1,0,1,0,0|1,0,0]=3 1206 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 B16473 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 B37615 [0,1,0,1,0,0|2,0,0]=4 1208 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [0,1,0,1,0,0|1,0,0]=3 1209 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 C60215 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [0,1,0,1,0,0|1,0,0]=3 1211 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 C0438 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [0,1,0,1,0,0|1,0,0]=3 1213 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 F0565 [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 I17231 [0,1,0,1,0,0|2,0,0]=4 1215 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 B10978 [0,1,0,1,0,0|1,0,0]=3 1216 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [0,1,0,1,0,0|1,0,0]=3 1217 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [0,1,0,1,0,0|1,0,0]=3 1218 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 B27216 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 F44555 [0,1,0,1,0,0|1,1,0]=4 1220 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 C44540 [0,1,0,1,0,0|1,1,0]=4 1221 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [0,1,0,1,0,0|1,0,0]=3 1222 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 B44525 [0,1,0,1,0,0|1,1,0]=4 1223 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 C44541 [0,1,0,1,0,0|1,1,0]=4 1224 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 F38220 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 C62263 [0,1,0,1,0,0|1,1,0]=4 1226 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 C62726 [0,1,0,1,0,0|1,0,1]=4 1227 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,2,0|1,0,0]=3 1228 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,2,0|1,0,0]=3 1229 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,2,0|2,0,0]=4 1230 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,2,0|2,0,0]=4 1231 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,2,0|1,0,0]=3 1232 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,2,0|2,0,0]=4 1233 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,2,0|2,0,0]=4 1234 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,2,0|1,0,0]=3 1235 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,2,0|2,0,0]=4 1236 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,2,0|2,0,0]=4 1237 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,2,0|2,0,0]=4 1238 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,2,0|2,0,0]=4 1239 B8R1.7 CC(=O)N1C=CN=C1 I37940 [0,0,0,0,2,0|2,0,0]=4 1240 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,2,0|2,0,0]=4 1241 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,2,0|2,0,0]=4 1242 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,0,2,0|2,0,0]=4 1243 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,2,0|2,0,0]=4 1244 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,0,2,0|2,0,0]=4 1245 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,0,2,0|2,0,0]=4 1246 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,2,0|2,0,0]=4 1247 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,2,0|2,0,0]=4 1248 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,0,0,0,2|0,0,0]=2 1249 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,0,0,0,0,2|2,0,0]=4 1250 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,0,0,0,0,2|0,0,2]=4 1251 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,0,0,0,0,2|2,0,0]=4 1252 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,0,0,0,0,2|1,0,0]=3