0 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15747 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15765 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC1=C(C(N)=O)C=NC=C1 15751 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 CC1=CC=CC=C1C(=O)Br 16795 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 N1C=CC=C([N+](=O)[O-])C1=O 20547 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.61 O=C(O)C1=C(F)C=CC=N1 100687 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 O=C(O)C1=C(F)C=NC=C1 100632 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.61 O=C(O)C1=C(F)N=CC=C1 100686 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [0,0,0,0,0,0|0,0,0]=0 14 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.61 O=C(O)C1=CC=NC=C1Cl 100086 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 22072 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.6 NC(=S)C1=CC=CN=C1 20784 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.15 CC1=C(CO)C=NC=C1 15752 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,0,0,0,0,0|0,0,0]=1 26 B11R1.87 CC(C)(O)C1=CC=CC=C1F 102035 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.87 CC1=C(S(=O)(=O)O)C=NC=C1 15742 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.156 CC1=CC=CC(O)=C1C(=O)O 15231 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br 100202 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl 101421 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F 101426 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.156 O=C(O)C1=C(Br)C=CC=C1I 102776 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl 100043 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1I 101411 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1Cl 100088 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1Cl 100058 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F 100670 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl 100018 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.156 O=C(O)C1=C(F)C=CC=C1F 100020 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.156 O=C(O)C1=C(F)C=CC=C1O 101187 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.156 O=C(O)C1=C(F)C=NC=C1F 100657 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.156 O=C(O)C1=C(F)N=CC=C1F 100665 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.156 O=C(O)C1=C(I)C=CC=C1F 101430 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.156 O=C(O)C1=C(O)C=CC=C1Cl 101165 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.156 [2H]C1=CC=CC([2H])=C1C(=O)O 100219 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.156 [NH3+]C1=CC=CC(F)=C1C(=O)O 102502 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 102174 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1C 100360 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 101413 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 101444 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 101408 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 100024 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CN=C1 100060 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 100057 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 100671 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 101185 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 101424 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 101433 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=N1 100672 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 102969 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 100659 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 101422 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 101159 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 101176 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.159 O=C(O)C1=CC=CC(F)=C1O 101153 [0,1,0,0,0,0|0,0,0]=1 66 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl 100680 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl 100083 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.159 [NH3+]C1=C(O)C(C(=O)O)=CC=C1 102477 [0,1,0,0,0,0|0,0,0]=1 69 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.166 CC1=CC=C(B(O)O)C(F)=C1 101910 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 16799 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=C1 20382 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 100668 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 101300 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=N1 100667 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 101178 [0,1,0,0,0,0|0,0,0]=1 78 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 101171 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 102048 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.166 O=C(O)C1=CC=C(F)N=C1F 100238 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.166 O=C(O)C1=CC=C(I)C=C1F 102972 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl 101155 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.166 O=C(O)C1=CC=C(O)C=C1F 101158 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.166 O=C(O)C1=CN=C(F)C=C1F 100664 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 100084 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.167 CC1=C(C(=O)O)C=[N+]([O-])C=C1 15762 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.167 CC1=C(C(N)=O)C=[N+]([O-])C=C1 15761 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.167 CC1=C([N+](=O)[O-])C=C(Cl)C=C1 11008 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.167 CC1=CC([N+](=O)[O-])=C(N)C=C1 10765 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.167 CC1=CC=C(C)C(C(=O)O)=C1 16548 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 101186 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.167 CC1=CC=C(F)C(C(=O)O)=C1 102177 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.167 NC1=C([N+](=O)[O-])C=C(Br)C=C1 20545 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 101414 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 101409 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 101410 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 101412 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 100658 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 101442 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 100662 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 101177 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F 101425 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 100013 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F 100049 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O 101157 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 100059 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.167 O=C(O)C1=CC(F)=CC=C1F 100037 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.167 O=C(O)C1=CC(F)=NC=C1F 100660 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl 101156 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.167 O=C(O)C1=CC(O)=CC=C1F 101189 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl 100090 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(Cl)=C1 20076 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.167 O=[N+]([O-])C1=CC(F)=CC=C1O 20075 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.222 CC1=C(C(=O)NN)C=NC=C1 15756 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.222 COC(=O)C1=NC=CC=C1F 100739 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.222 O\N=C(\O)C1=C(O)C=CC=C1 12260 [0,1,0,0,0,0|0,0,1]=2 117 B11R2.1 BrC1=NOC2=NC=CC=C12 20690 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,0,0,1,0,0|3,0,0]=4 119 B11R2.1 ClC1=NOC2=C1C=CC=N2 20480 [0,0,0,1,0,0|3,0,0]=4 120 B11R2.1 OC1=NN=C2C=CC=CN12 20582 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.1 [N-]=[N+]1ONC2=CC=CC=C21 22285 [0,0,0,1,0,0|3,0,0]=4 122 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 830 [0,0,0,1,0,0|2,0,1]=4 123 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [0,0,0,1,0,0|2,0,1]=4 124 B11R2.59 [2H]C1(O)CC2=CC=CC=C21 16155 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.468 O=C1CC2=CC=CC(Br)=C12 16263 [0,0,0,1,0,0|2,0,0]=3 126 B11R2.468 O=C1CC2=CC=CC(Cl)=C12 16262 [0,0,0,1,0,0|2,0,0]=3 127 B11R2.468 O=C1CC2=CC=CC(F)=C12 16261 [0,0,0,1,0,0|2,0,0]=3 128 B11R2.468 OC1CC2=CC=CC(F)=C21 16158 [0,0,0,1,0,0|2,0,1]=4 129 B11R1.86 CC(=O)NC1=CC=CC=C1Br 17116 [0,0,0,0,0,1|2,0,0]=3 130 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 17122 [0,0,0,0,0,1|2,0,0]=3 131 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [0,0,0,0,0,1|1,0,0]=2 132 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [0,0,0,0,0,1|0,0,0]=1 133 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [0,0,0,0,0,1|1,0,0]=2 134 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [0,0,0,0,0,1|0,0,0]=1 135 B8R1.5 CC1=CC=CN=C1O 20633 [2,0,0,0,0,0|1,0,1]=4 136 B8R1.5 FC1=C(I)C=CC=C1 102030 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.5 NC1=CC=CC=C1N 22078 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [1,1,0,0,0,0|0,0,0]=2 139 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 20768 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [1,1,0,0,0,0|0,0,0]=2 141 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [1,1,0,0,0,0|0,0,0]=2 143 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,1,0,0,0,0|0,0,2]=4 155 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [1,1,0,0,0,0|0,0,1]=3 156 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 15663 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.113 O=C(O)C1=CC(F)=NC=C1 100685 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [1,1,0,0,0,0|0,0,0]=2 160 B10R1.113 O=C(O)C1=CC=CC(F)=N1 100675 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.113 O=C(O)C1=CN=CC(F)=C1 100682 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.2 O=CC1=CC=CC(F)=C1F 103010 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.4 CC1=C(\C=N\O)C=NC=C1 15754 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.4 CC1=CC=CC=C1NC=O 20052 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.4 O\N=CC1=CC=CC=C1Br 20508 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.20 CCC1=CC=CC=C1C=O 102267 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.20 COC1=C(CCl)C=CC=C1 21479 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.20 O=CC1=CC=CC=C1C=O 15837 [1,1,0,0,0,0|0,0,1]=3 169 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.25 O=CC1=CC=C(F)N=C1F 100271 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.30 O=CC1=CC(F)=CC=C1F 102033 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.30 O=CC1=NC(Cl)=CC=C1Cl 100091 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.245 O=CC1=C(F)C=CC=C1F 102032 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.149 COC(=O)C1=C(C)C=CO1 21147 [0,1,0,0,1,0|2,0,0]=4 176 B10R1.194 O=C(O)C1=CSC(Cl)=C1Cl 1211 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.75 CCC1=CC=CC=C1NC(C)=O 17109 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.75 COC1=CC=CC=C1NC(C)=O 17112 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.127 CC(=O)NC1=C(Cl)C=CC(C)=C1 10901 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.127 CC(=O)NC1=CC(C)=CC=C1C 17107 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.127 CC(=O)NC1=CC(Cl)=CC=C1C 17119 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.127 CC(=O)NC1=CC(Cl)=CC=C1Cl 17124 [0,1,0,0,0,1|2,0,0]=4 183 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 20758 [0,1,0,0,0,1|0,0,0]=2 184 B12R1.127 O=C(O)CC1=CC(F)=CC=C1F 102974 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.224 CC(=O)NC1=CC=CC(C)=C1C 17106 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1C 17117 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1Cl 17123 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 17105 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O 20859 [0,1,0,0,0,1|1,0,0]=3 190 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C 17120 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1O 20863 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.233 N(C(C)=O)C1=C(Cl)C=C(Br)C=C1 20543 [0,1,0,0,0,1|2,0,0]=4 193 B12R1.1009 CC(=O)NC1=C(C)C=CC=C1C 17108 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.46 COC1=CC=C(F)C=C1C(=O)O 102473 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 20546 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O 15245 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.283 C=CCC1=CC=CC=C1C(=O)O 16551 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.283 CC=CC1=CC=CC=C1C(=O)O 16550 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.283 C\C=C\C1=CC=CC=C1C(=O)O 16556 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 15232 [0,2,0,0,0,0|0,0,0]=2 201 B12R1.437 COC1=CC=CC(F)=C1C(=O)O 102494 [0,2,0,0,0,0|0,0,0]=2 202 B12R1.894 CC1=C(O)C=CC(O)=C1C(=O)O 15247 [0,2,0,0,0,0|0,0,0]=2 203 B12R1.894 CC1=CC=C(Br)C(O)=C1C(=O)O 16555 [0,2,0,0,0,0|0,0,0]=2 204 B12R1.894 NC1=CC=C(F)C(Cl)=C1C(=O)O 1220 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.894 O=C(O)C1=C(Br)C(Br)=CC=C1Br 101402 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.894 O=C(O)C1=C(Br)C(F)=CC=C1F 101428 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.894 O=C(O)C1=C(Cl)C(Br)=NC=C1Cl 100061 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.894 O=C(O)C1=C(Cl)C(Cl)=CC=C1Cl 100041 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.894 O=C(O)C1=C(Cl)C(Cl)=NC=C1Cl 100654 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.894 O=C(O)C1=C(Cl)C(F)=CC=C1Cl 100050 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.894 O=C(O)C1=C(Cl)C(F)=NC=C1Cl 100655 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.894 O=C(O)C1=C(Cl)C(I)=NC=C1F 100673 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.894 O=C(O)C1=C(F)C(Br)=CC=C1F 102045 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.894 O=C(O)C1=C(F)C(Cl)=CC=C1Cl 100053 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.894 O=C(O)C1=C(F)C(Cl)=NC=C1Cl 100652 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.894 O=C(O)C1=C(F)C(F)=CC=C1Br 101434 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.894 O=C(O)C1=C(F)C(F)=CC=C1Cl 100035 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.894 O=C(O)C1=C(F)C(F)=CC=C1F 100034 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.894 O=C(O)C1=C(F)C(F)=NC=C1Cl 100644 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.894 O=C(O)C1=C(F)C(F)=NC=C1F 100638 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.894 O=C(O)C1=C(F)C(I)=CC=C1I 102044 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.894 O=C(O)C1=C(F)C(I)=NC=C1Cl 100637 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.894 O=C(O)C1=C(F)C(O)=CC=C1F 100032 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.894 O=C(O)C1=C(F)C=CC(F)=C1I 102052 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.894 O=C(O)C1=C(F)C=CC(I)=C1F 102051 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.894 O=C(O)C1=C(F)N=CC(F)=C1Cl 100642 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.894 O=C(O)C1=C(O)C(F)=CC=C1F 100026 [0,2,0,0,0,0|0,0,0]=2 228 B12R1.894 O=C(O)C1=C(O)C=CC(F)=C1F 102822 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.1000 CC1=CC(=O)OC(C)=C1C(=O)O 15409 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 16798 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(C)=C1 16547 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(C)=N1 16684 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1Br 100054 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1Cl 101403 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1F 101416 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Br 102774 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Cl 100011 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1F 101432 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.1000 O=C(O)C1=C(F)C=C(Cl)C=C1F 101441 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1Br 102783 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1F 100046 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1O 100036 [0,2,0,0,0,0|0,0,0]=2 243 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 101401 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.1000 O=C(O)C1=C(F)C=C(O)C=C1F 100021 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.1000 O=C(O)C1=C(I)C=C(Cl)N=C1Cl 100089 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.1000 O=C(O)C1=C(I)C=C(F)N=C1F 100246 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.1000 O=C(O)C1=C(I)C=C(I)C=C1F 101419 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.3441 COC(=O)C1=C(I)C=CC=C1F 102771 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.3441 [2H]OC(=O)C1=C([2H])C=CC=C1[2H] 100201 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.24 COC(=O)C1=C(Br)C(F)=CC=C1 102770 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.24 COC(=O)C1=C(Cl)C(Cl)=CN=C1 100056 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.24 COC(=O)C1=C(N)C(Br)=CC=C1 100206 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1Cl 100062 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 102206 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.440 O=C(O)C1=CC=CC(CO)=C1F 101179 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.511 O=C(O)C1=C(Br)C(F)=CC(F)=C1 102775 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.511 O=C(O)C1=C(Cl)C(=O)C=C(Cl)N1 100063 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.511 O=C(O)C1=C(Cl)C(F)=NC(F)=C1 100244 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.511 O=C(O)C1=C(F)C(Cl)=CC(Cl)=C1 100045 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.511 O=C(O)C1=C(F)C(Cl)=CC(F)=N1 100649 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.511 O=C(O)C1=C(F)C(F)=CC(I)=C1 102057 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.511 O=C(O)C1=C(O)C(F)=CC(F)=C1 100048 [0,2,0,0,0,0|0,0,0]=2 263 B12R1.511 O=C(O)C1=CC(Br)=CC(Br)=C1F 101420 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.511 O=C(O)C1=CC(F)=CC(O)=C1F 100019 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.511 O=C(O)C1=CC(O)=CC(F)=C1Cl 100017 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.511 O=C(O)C1=CC(O)=CC(F)=C1F 102815 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.893 CC(=O)C1=CC=C(O)C(C)=C1O 899 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.893 CC1=C(O)C=CC([N+](=O)[O-])=C1O 898 [0,2,0,0,0,0|1,0,1]=4 269 B12R1.893 NC1=C(Cl)C=CC(C(=O)O)=C1Cl 101313 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)C=C1 102784 [0,2,0,0,0,0|1,0,0]=3 271 B12R1.893 O=C(O)C1=C(Cl)C(O)=C(Cl)C=C1 100051 [0,2,0,0,0,0|1,0,0]=3 272 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 102785 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.893 O=C(O)C1=C(O)C(Cl)=C(F)C=C1 100038 [0,2,0,0,0,0|0,0,0]=2 274 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1Cl 100015 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1F 100052 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1O 102821 [0,2,0,0,0,0|0,0,0]=2 277 B12R1.893 O=C(O)C1=CC=C(I)C(F)=C1F 102056 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.893 O=C(O)C1=CC=C(I)C(I)=C1F 102050 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.893 O=C(O)C1=CC=C(O)C(Cl)=C1F 100033 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.893 O=C(O)C1=CC=C(O)C(F)=C1F 102823 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.893 O=C(O)C1=CN=C(F)C(Cl)=C1Cl 100646 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.893 O=C(O)C1=CN=C(F)C(F)=C1Cl 100647 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1Br 17349 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.232 O=C(O)C1=C(Br)C=C(Br)C(Br)=C1 101407 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=N1 100650 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=N1 100656 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(Br)=N1 100645 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(Cl)=N1 100651 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=N1 100648 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(I)=N1 100639 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(I)=N1 100640 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Br)=C1 102778 [0,2,0,0,0,0|1,0,0]=3 293 B12R1.232 O=C(O)C1=C(F)C=C(O)C(F)=C1 100047 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.232 O=C(O)C1=C(F)N=C(F)C(Cl)=C1 100242 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.232 O=C(O)C1=C(F)N=C(F)C(I)=C1 100259 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1O 102819 [0,2,0,0,0,0|0,0,0]=2 297 B12R1.232 O=C(O)C1=CC(F)=C(I)C=C1F 102975 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1F 102970 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.232 O=C(O)C1=CC(O)=C(F)C=C1F 100027 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.452 COC1=CC=C(C(=O)O)C(C)=C1 15233 [0,2,0,0,0,0|1,0,0]=3 301 B12R1.452 O=C(O)C1=CC=C(CO)C=C1F 101167 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.354 CCC(O)C1=CC(C)=CC=C1O 13683 [0,2,0,0,0,0|1,0,1]=4 303 B12R1.453 COC1=CC=C(C)C(C(=O)O)=C1 16549 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.453 COC1=CC=C(Cl)C(C(=O)O)=C1 102482 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.453 N#CC1=CC([N+](=O)[O-])=C(O)C=C1 20073 [0,2,0,0,0,0|1,0,1]=4 306 B12R1.453 O=C(O)C1=C(F)C=CC(CO)=C1 101169 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(O)C=C1 20070 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 15760 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.10 O\N=C\C1=CC=CC(O)=C1 102535 [0,0,1,1,0,0|2,0,0]=4 310 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [0,0,1,1,0,0|1,0,1]=4 311 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [0,0,1,1,0,0|1,0,1]=4 312 B10R1.66 NC(=O)\C=C\C1=CC=CO1 16902 [0,0,1,1,0,0|1,0,0]=3 313 B10R1.66 O=C(O)C=CC1=CC=CO1 13414 [0,0,1,1,0,0|0,0,0]=2 314 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 16984 [0,0,1,1,0,0|1,0,1]=4 315 B10R1.275 O=C1C(O)=CC=CC=C1O 19616 [0,0,1,1,0,0|2,0,0]=4 316 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|1,0,0]=3 317 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|1,0,1]=4 318 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,0,0,1,0,1|2,0,0]=4 319 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [0,0,0,1,0,1|1,0,0]=3 320 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,0,0,1,0,1|1,1,0]=4 321 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 16604 [0,0,0,1,0,1|1,0,0]=3 322 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 16230 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.1806 N#CC1=C2C(=O)CC2=CC=C1 16492 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.2028 O=C1C=[N+]([O-])C2=CC=CC=C12 10666 [0,1,0,1,0,0|1,0,1]=4 329 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [0,1,0,1,0,0|0,0,1]=3 330 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [0,1,0,1,0,0|1,0,0]=3 331 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 836 [0,1,0,1,0,0|0,1,1]=4 332 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 16414 [0,1,0,1,0,0|1,0,0]=3 333 B12R2.203 O=C1OCC2=C1C(F)=CC=C2 101170 [0,1,0,1,0,0|1,0,0]=3 334 B12R2.3028 CC1=CC(C)=C2C(=O)CC2=C1 16223 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 18545 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.18 O=C1NC2=CC=CC=C2C1=O 20896 [0,1,0,1,0,0|1,0,1]=4 339 B12R2.1094 CC1=C2C(=O)C(=O)C2=CC=C1 16292 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.7 NC(=O)C1=CC=CO1 16899 [1,0,0,0,1,0|2,0,0]=4 341 B8R1.7 O=C(O)C1=CN=CN1 21322 [1,0,0,0,1,0|2,0,0]=4 342 B8R1.7 O=C(O)C1=CNN=C1 21414 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.7 O=C(O)C1=CSC=C1 1212 [1,0,0,0,1,0|1,0,0]=3 344 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [0,0,0,0,0,2|2,0,0]=4 345 B12R1.125 CC1=C(C=CC(=O)O)C=NC=C1 17150 [0,0,0,0,0,2|2,0,0]=4 346 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 11093 [0,0,0,0,0,2|1,0,0]=3