0 B11R1.3 C(=O)C1=CN=C(C(C)C)N=C1 I12565 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A5043 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 E7783 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 E0723 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CCC1=CN=C(C(C)O)C=C1 P6695 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D0969 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M1131 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A0732 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 C4578 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 C0733 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 C0733 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 N9719 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 N1783 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.3 BrCC1=CC=C(CBr)C=C1 B4169 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.3 C#CC1=CC=C(CC)C=C1 E11661 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.3 C#CC1=CC=C(OC)C=C1 E17047 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.3 C=CC1=CC=C(OC)C=C1 M19314 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.3 CCC1=CC=C(C=O)C=C1 E3199 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.3 CCC1=CC=C(CCl)C=C1 E18905 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.3 COC1=CC=C(NN)C=C1 A2369 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.3 COC1=CC=C(SC)C=C1 M3890 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.3 CSC1=CC=C(C=O)C=C1 M0736 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.3 ClCC1=CC=C(CCl)C=C1 C2229 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.3 N#CC1=CC=C(CBr)C=C1 B2426 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.3 N#CC1=CC=C(CCl)C=C1 C1086 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 N#CC1=CC=C(CN)C=C1 C3849 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.3 NCC1=CC=C(CBr)C=C1 B18450 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.3 NCC1=CC=C(CBr)C=C1 B9018 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.3 NCC1=CC=C(CO)C=C1 A18188 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.3 O=CC1=CC=C(CBr)C=C1 B16705 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.3 OCC1=CC=C(CBr)C=C1 B9072 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.3 SCC1=CC=C(CS)C=C1 B3882 [1,0,0,0,0,0|1,1,0]=3 34 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.13 CC(C)C1=CC=C(S)C=C1 I0763 [1,0,0,0,0,0|0,1,0]=2 37 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 C1062 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.13 CC(O)C1=NC=C(Br)C=C1 B13828 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.13 CC1=CC=C(B(O)O)C=C1 T4039 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M13863 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 M18854 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 CN(C)C1=CC=C(Br)C=C1 B5435 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.13 CN(C)C1=CC=C(N)C=N1 D17190 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 D12728 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B5986 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.13 FC(F)C1=CC=C(Br)C=C1 B9306 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.13 N=C(N)C1=CC=C(O)C=C1 C7930 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H13795 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.13 OB(O)C1=CC=C(O)C=C1 H12503 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E0584 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M10261 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.5 COC1=CC=C(C(O)CN)C=C1 A14661 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B1233 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B1233 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 B3198 [0,1,0,0,0,0|0,0,2]=3 59 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 T10179 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 T8310 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 T7599 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.6 CC(C)(C)C1=CC=C(CS)C=C1 B0466 [0,1,0,0,0,0|0,1,0]=2 63 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 B11351 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 T9061 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.6 CS(=O)(=O)C1=CC=C(CCl)C=C1 M9221 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.6 FC(F)(F)C1=CC=C(CBr)C=C1 T4173 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.6 FC(F)(F)C1=CC=C(CCl)C=C1 T8787 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.6 NCC1=CC=C(C(F)(F)F)C=C1 T4298 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 T8053 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.48 C(=O)C1=C(O)C=C(N(C)C)C=C1 D0901 [0,1,0,0,0,0|1,0,2]=4 71 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 P7543 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.113 CN(C)C1=CC=C(N=C=O)C=C1 D7540 [0,1,0,0,0,0|1,0,2]=4 73 B12R1.113 CN(C)C1=CC=C(N=C=S)C=C1 D8147 [0,1,0,0,0,0|1,1,1]=4 74 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 N7743 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A7606 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,1,0,0,0,0|1,0,2]=4 78 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 I7544 [0,1,0,0,0,0|0,0,2]=3 79 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D3965 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 I4022 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 I2846 [0,1,0,0,0,0|0,0,1]=2 82 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 D3966 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.256 CN(C)C1=CC=C(C(=N)N)C=C1 D13618 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.256 CN(C)C1=CC=C(C(=N)N)C=C1 D16851 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.4 CC(C)CC1=CC=C(C=O)C=C1 I3197 [0,0,0,0,0,1|0,0,2]=3 86 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 E7545 [0,0,0,0,0,1|2,0,1]=4 87 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 D10546 [0,0,0,0,0,1|3,0,0]=4 88 B12R1.4 NCC1=CC=C(OC(F)F)C=C1 D7939 [0,0,0,0,0,1|3,0,0]=4 89 B12R1.4 OCC1=CC=C(OC(F)F)C=C1 D7978 [0,0,0,0,0,1|2,0,0]=3 90 B9R1.1 BrCC1=CC=C(Br)C=C1 B12509 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 C#CC1=CC=C(C)C=C1 E11660 [2,0,0,0,0,0|0,0,2]=4 92 B9R1.1 C(=O)C1=CC=C(C)C=C1 M0262 [2,0,0,0,0,0|0,0,2]=4 93 B9R1.1 C(=O)C1=CC=C(O)C=C1 H0254 [2,0,0,0,0,0|1,0,1]=4 94 B9R1.1 CC1=CC=C(C#N)C=C1 T0293 [2,0,0,0,0,0|1,0,1]=4 95 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [2,0,0,0,0,0|1,0,0]=3 97 B9R1.1 CC1=CC=C(NN)C=C1 M0766 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 CC1=CC=C(NN)C=C1 M0766 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 CC1=NC=C(CO)C=N1 M17093 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 CCC1=CC=C(Br)C=C1 B8398 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.1 CNC1=CC=C(Br)C=C1 B8439 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 CNC1=CC=C(N)C=C1 M8801 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 COC1=CC=C(F)C=C1 F0756 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 COC1=CC=C(O)C=C1 M0306 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.1 COC1=CC=C(O)C=C1 M0306 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.1 COC1=CC=C(S)C=C1 M0764 [2,0,0,0,0,0|1,1,0]=4 107 B9R1.1 COC1=NC=C(O)C=C1 H14190 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.1 CSC1=CC=C(C)C=C1 M3899 [2,0,0,0,0,0|1,0,0]=3 109 B9R1.1 CSC1=CC=C(F)C=C1 F3886 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 ClC1=CC=C(CBr)C=C1 C9247 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.1 ClCC1=CC=C(Br)C=C1 B4168 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.1 FC1=CC=C(CBr)C=C1 F8550 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.1 FC1=CC=C(CCl)C=C1 F5018 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.1 FC1=CC=C(CS)C=C1 F3880 [2,0,0,0,0,0|1,1,0]=4 115 B9R1.1 NCC1=CC=C(Br)C=C1 B9996 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.1 NCC1=CC=C(O)C=C1 H9189 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.1 O=C1C=CC(CO)=CN1 H11547 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 OCC1=CC=C(Br)C=C1 B4308 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.1 OCC1=CC=C(F)C=C1 F11143 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.1 OCC1=CN=C(Cl)C=C1 C1155 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 OCC1=NC=C(Br)C=C1 B8505 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.1 SCC1=CC=C(Br)C=C1 B9153 [2,0,0,0,0,0|1,1,0]=4 125 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [2,0,0,0,0,0|1,0,0]=3 128 B11R1.83 C#CC1=CC=C(CCC)C=C1 P11662 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.83 CCC1=CN=C(CCO)C=C1 E2784 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.83 CCOC1=CC=C(C#N)C=C1 E2970 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.83 CNCC1=CC=C(OC)C=C1 M12442 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B14252 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.279 COC1=CC=C(CCl)C=C1F F4171 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.279 COC1=CC=C(CO)C(N)=C1 A19264 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.279 COC1=CC=C(C[NH3+])C=C1Cl A13214 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B3471 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 B1468 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 B1468 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 T7730 [1,1,0,0,0,0|0,1,0]=3 140 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 B9633 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 B9674 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br B3803 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl H4710 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.166 CC(=O)C1=CC=C(O)C=C1F F2843 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.166 C[S+](C)C1=CC=C(O)C=C1O D9301 [1,1,0,0,0,0|1,0,0]=3 149 B13R1.585 CC(C)CC1=CC=C(C(=O)O)C=C1 I8133 [0,1,0,0,0,1|0,0,1]=3 150 B13R1.187 CCC(C)(C)C1=CC=C(CCl)C=C1 C8879 [0,2,0,0,0,0|1,0,0]=3 151 B13R1.452 CCC1=CC=C(C(N)CCO)C=C1 A14590 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.537 CN(C)C1=CC=C(\C(N)=N/O)C=C1 D13619 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 T7957 [0,2,0,0,0,0|1,0,0]=3 154 B13R1.140 CC(C)(C)C1=CC=C(CCN)C=C1 T8108 [0,2,0,0,0,0|1,0,0]=3 155 B13R1.140 CC(C)(C)C1=CC=C(N=C=S)C=C1 T8658 [0,2,0,0,0,0|0,1,1]=4 156 B13R1.140 [C-]#[N+]CC1=CC=C(C(C)(C)C)C=C1 T7958 [0,2,0,0,0,0|1,0,0]=3 157 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 B5383 [0,2,0,0,0,0|1,0,0]=3 158 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 T13691 [0,2,0,0,0,0|1,0,1]=4 159 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 T16008 [0,2,0,0,0,0|1,0,1]=4 160 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 T8750 [0,2,0,0,0,0|0,1,1]=4 161 B13R1.338 C[C@@H](N)C1=CC=C(C(C)(C)C)C=C1 B11530 [0,2,0,0,0,0|1,0,0]=3 162 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 B11529 [0,2,0,0,0,0|1,0,0]=3 163 B11R2.34 ClC1=CC=C([C@H]2CO2)C=C1 C19012 [1,0,0,1,0,0|2,0,0]=4 164 B13R2.2121 O=C1CC2=C(C=CC(CO)=C2)N1 H19144 [0,0,0,1,0,1|1,0,1]=4 165 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 A19241 [0,1,0,1,0,0|1,0,1]=4 166 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M0660 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.21 CCC1=NC=C(CO)N1 E14801 [1,0,0,0,1,0|2,0,0]=4 168 B9R1.35 CC1=CSC(C(C)C)=N1 I0640 [1,0,0,0,1,0|2,0,0]=4 169 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 A1916 [1,0,0,0,0,1|1,0,1]=4 170 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [1,0,0,0,0,1|1,0,0]=3 171 B11R1.20 CC1=CC=C(OC(F)F)C=C1 D7457 [1,0,0,0,0,1|2,0,0]=4