0 B14R2.112 CNCC1=CC2=CC=CC=C2C=C1 M55784 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.112 N#CCC1=CC2=CC=CC=C2C=C1 N9380 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 H54402 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B55307 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 B53720 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.57 BrCC1=CC2=NC=CN=C2C=C1 B51058 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 B53698 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 E67694 [1,0,0,0,0,0|0,0,2]=3 8 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 E63866 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.57 C#CC1=CC=C2N=CC=CC2=C1 E55176 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 V55310 [1,0,0,0,0,0|1,0,2]=4 11 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 M52278 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M69058 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.57 COC1=CC2=CC=NC=C2C=C1 M53897 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 C55309 [1,0,0,0,0,0|1,0,0]=2 17 B13R2.57 ClCC1=CC2=CC=CC=C2C=N1 C38262 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.57 ClCC1=CC2=NC=CN=C2C=C1 C51081 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 C53733 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.57 ClCC1=NC2=CC=CC=C2C=N1 C36784 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 Q53424 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 C3747 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.57 N#CC1=CC2=CC=CN=C2C=C1 Q53423 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.57 N#CC1=CC2=CC=NC=C2C=C1 Q9593 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.57 N#CC1=CC2=CN=CC=C2C=C1 Q9594 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 Q3937 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N54371 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N55437 [1,0,0,0,0,0|1,0,0]=2 29 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 I32057 [1,0,0,0,0,0|2,0,0]=3 30 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 Q54084 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 Q61339 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 Q62926 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 N39648 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 H51702 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N64900 [1,0,0,0,0,0|1,0,1]=3 36 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 Q1105 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [1,0,0,0,0,0|1,0,0]=2 39 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 I38800 [1,0,0,0,0,0|2,0,0]=3 40 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 Q53901 [1,0,0,0,0,0|2,0,0]=3 41 B13R2.57 OCC1=CC2=NC=CN=C2C=C1 Q51347 [1,0,0,0,0,0|3,0,0]=4 42 B15R2.1282 CCOC1=CC2=CC(O)=CC=C2C=C1 E4952 [0,1,0,0,0,0|0,0,0]=1 43 B15R2.1290 CCOC1=CC2=C(O)C=CN=C2C=C1 E62364 [0,1,0,0,0,0|1,0,0]=2 44 B15R2.1601 CC[C@@H](N)C1=CC2=CC=CC=C2C=C1 N57415 [0,1,0,0,0,0|1,0,0]=2 45 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 N57416 [0,1,0,0,0,0|1,0,0]=2 46 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=C1 M55608 [0,1,0,0,0,0|2,0,0]=3 47 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 M55365 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 M55359 [0,1,0,0,0,0|3,0,0]=4 49 B15R2.1601 COC(=O)C1=CC2=CC=CN=C2C=C1 M55361 [0,1,0,0,0,0|3,0,0]=4 50 B15R2.1601 COC(=O)C1=CC2=CC=NC=C2C=C1 M60882 [0,1,0,0,0,0|3,0,0]=4 51 B15R2.1601 COC(=O)C1=CC2=NC=CC=C2C=C1 M67598 [0,1,0,0,0,0|3,0,0]=4 52 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 M55358 [0,1,0,0,0,0|3,0,0]=4 53 B15R2.1668 CC(=O)NC1=CC2=CC=CN=C2C=C1 Q54270 [0,1,0,0,0,0|2,0,1]=4 54 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 D55301 [0,1,0,0,0,0|1,0,0]=2 55 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 N68939 [0,1,0,0,0,0|2,0,1]=4 56 B15R2.10252 CCOC1=CC2=CC=C(C)N=C2C=C1 M55807 [0,1,0,0,0,0|1,0,0]=2 57 B15R2.10252 CCOC1=CC=C2N=C(Cl)N=CC2=C1 C53866 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [0,0,1,0,0,0|1,0,2]=4 59 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [0,0,1,0,0,0|2,0,1]=4 60 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,0,1,0,0,0|1,0,0]=2 61 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 E52634 [0,0,1,0,0,0|2,0,1]=4 62 B13R1.470 CCOC(=O)CC1=C(F)C=CC=C1 E52639 [0,0,1,0,0,0|2,0,1]=4 63 B13R1.470 CCOC(=O)CC1=C(I)C=CC=C1 E52649 [0,0,1,0,0,0|2,0,1]=4 64 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 E54158 [0,0,1,0,0,0|2,0,1]=4 65 B13R2.1 NCCC1=COC2=C1C=CC=C2 B69209 [0,0,0,0,1,0|3,0,0]=4 66 B13R2.1 OCCC1=CNC2=C1C=CC=C2 I24086 [0,0,0,0,1,0|3,0,0]=4 67 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 P52681 [0,0,0,0,1,0|3,0,0]=4 68 B13R2.26 NCCC1=CC2=C(C=CC=C2)N1 K52682 [0,0,0,0,1,0|3,0,0]=4 69 B13R2.449 CCOC1=CC2=C(C=CN2)C=C1 E36810 [0,0,0,0,1,0|1,0,0]=2 70 B13R2.449 CCOC1=NN2C=CN=C2C=C1 E6186 [0,0,0,0,1,0|3,0,0]=4 71 B13R2.449 ClCCC1=CC2=C(C=C1)OC=C2 C65547 [0,0,0,0,1,0|3,0,0]=4 72 B13R2.449 OCCC1=CC2=C(C=C1)SC=C2 B26951 [0,0,0,0,1,0|3,0,0]=4 73 B12R1.286 CCOC1=CC(C=O)=C(Br)C=C1 B51876 [1,0,1,0,0,0|2,0,0]=4 74 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [2,0,0,0,0,0|1,0,0]=3 75 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 B4779 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 B3878 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 B4922 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 B23905 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [2,0,0,0,0,0|1,0,0]=3 82 B12R2.24 CC1=CC=C2N=CC=NC2=C1 M51337 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 C50851 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.24 ClC1=CC2=CC=NC=C2C=C1 C9357 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 C9358 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 C50852 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [2,0,0,0,0,0|1,0,0]=3 92 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [2,0,0,0,0,0|2,0,0]=4 93 B12R2.24 FC1=CC2=CC=CN=C2C=C1 F50853 [2,0,0,0,0,0|2,0,0]=4 94 B12R2.24 FC1=CC2=CN=CC=C2C=C1 F9904 [2,0,0,0,0,0|2,0,0]=4 95 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [2,0,0,0,0,0|1,0,0]=3 96 B12R2.24 IC1=CC2=CC=CN=C2C=C1 K18700 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [2,0,0,0,0,0|1,0,0]=3 98 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [2,0,0,0,0,0|2,0,0]=4 99 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q51336 [2,0,0,0,0,0|2,0,0]=4 100 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q52219 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.24 NC1=CC=C2C=CN=CC2=C1 A3873 [2,0,0,0,0,0|2,0,0]=4 102 B12R2.24 NC1=CC=C2C=NC=CC2=C1 A3872 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.24 NC1=CC=C2N=CC=CC2=C1 A67851 [2,0,0,0,0,0|2,0,0]=4 104 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [2,0,0,0,0,0|2,0,0]=4 105 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [2,0,0,0,0,0|1,0,0]=3 106 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [2,0,0,0,0,0|1,0,0]=3 107 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [2,0,0,0,0,0|1,0,0]=3 108 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [2,0,0,0,0,0|1,0,0]=3 109 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [2,0,0,0,0,0|1,0,0]=3 110 B12R2.24 OC1=CC2=NC=CN=C2C=C1 Q38886 [2,0,0,0,0,0|2,0,0]=4 111 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [2,0,0,0,0,0|1,0,0]=3 112 B14R1.29 CCOC(=O)C=C(C)C1=CC=CC=C1 E55917 [0,1,1,0,0,0|1,0,0]=3 113 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A39675 [0,1,1,0,0,0|1,0,1]=4 114 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E54450 [0,1,1,0,0,0|1,0,0]=3 115 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E61841 [0,1,1,0,0,0|1,0,0]=3 116 B14R1.3348 CCOC(=O)C(=O)C1=C(Cl)C=CC=C1 E24590 [0,1,1,0,0,0|2,0,0]=4 117 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 E54029 [0,1,1,0,0,0|2,0,0]=4 118 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 B55419 [1,1,0,0,0,0|0,0,0]=2 119 B14R2.92 COC1=C(Br)C2=NC=CC=C2C=C1 B28659 [1,1,0,0,0,0|1,0,0]=3 120 B14R2.92 COC1=C(Cl)C2=NC=CC=C2C=C1 C53786 [1,1,0,0,0,0|1,0,0]=3 121 B14R2.92 COC1=C([Mg+])C2=CC=CC=C2C=C1 M31719 [1,1,0,0,0,0|0,0,0]=2 122 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 A55219 [1,1,0,0,0,0|1,0,1]=4 123 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 B55211 [1,1,0,0,0,0|1,0,1]=4 124 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 H62030 [1,1,0,0,0,0|1,0,1]=4 125 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 M53928 [1,1,0,0,0,0|1,0,0]=3 126 B14R2.134 COC1=CC2=CC(C)=NC=C2C=C1 M37765 [1,1,0,0,0,0|1,0,0]=3 127 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 M38755 [1,1,0,0,0,0|0,0,0]=2 128 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 M54404 [1,1,0,0,0,0|1,0,0]=3 129 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 B37062 [1,1,0,0,0,0|1,0,0]=3 130 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=C1 B37535 [1,1,0,0,0,0|1,0,0]=3 131 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=N1 B51120 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.134 COC1=NC2=CC(N)=CC=C2C=C1 M52287 [1,1,0,0,0,0|1,0,0]=3 133 B14R2.134 N#CC1=CC=C2C=CC(O)=CC2=C1 H55194 [1,1,0,0,0,0|1,0,1]=4 134 B14R2.142 COC1=CC2=C(C=C1)NC=CC2=O M61612 [1,1,0,0,0,0|1,0,0]=3 135 B14R2.142 COC1=CC2=C(C=CNC2=O)N=C1 M15201 [1,1,0,0,0,0|2,0,0]=4 136 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 M54344 [1,1,0,0,0,0|0,0,0]=2 137 B14R2.142 COC1=CC2=C(O)C=CN=C2C=C1 M68998 [1,1,0,0,0,0|1,0,0]=3 138 B14R2.142 COC1=CC2=C(O)N=CN=C2C=C1 M51371 [1,1,0,0,0,0|2,0,0]=4 139 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 B68727 [1,1,0,0,0,0|1,0,0]=3 140 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=N1 B51122 [1,1,0,0,0,0|2,0,0]=4 141 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 C53784 [1,1,0,0,0,0|1,0,0]=3 142 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=N1 C12670 [1,1,0,0,0,0|2,0,0]=4 143 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=C1 C8149 [1,1,0,0,0,0|2,0,0]=4 144 B14R2.142 COC1=CN=C2C=CN=C(Cl)C2=C1 M15202 [1,1,0,0,0,0|2,0,0]=4 145 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 N64544 [1,1,0,0,0,0|0,0,1]=3 146 B14R2.781 CC(C)C1=CC=C2C=NC=CC2=C1 P63154 [1,1,0,0,0,0|1,0,0]=3 147 B14R2.781 C[C@@H](N)C1=CC2=CC=CC=C2C=C1 N23445 [1,1,0,0,0,0|0,0,0]=2 148 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 N22955 [1,1,0,0,0,0|0,0,0]=2 149 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 N55782 [1,1,0,0,0,0|0,0,0]=2 150 B14R2.781 FC(F)C1=CC2=NC=CC=C2C=C1 D61240 [1,1,0,0,0,0|2,0,0]=4 151 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 N69496 [1,1,0,0,0,0|1,0,1]=4 152 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 N4700 [1,1,0,0,0,0|2,0,0]=4 153 B14R2.1019 COC1=CC2=CC=CN=C2C(Cl)=C1 C61535 [1,1,0,0,0,0|1,0,0]=3 154 B14R2.1019 COC1=CC2=CC=CN=C2C(N)=C1 A38633 [1,1,0,0,0,0|1,0,0]=3 155 B14R2.1019 COC1=CC2=NC=CC=C2C(Br)=C1 B32298 [1,1,0,0,0,0|1,0,0]=3 156 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl C51126 [1,1,0,0,0,0|2,0,0]=4 157 B14R2.1801 COC1=CC2=C(C=C1)C(=O)C=CO2 M53807 [1,1,0,0,0,0|1,0,0]=3 158 B14R2.1801 COC1=CC2=C(C=C1)C(=O)N=CN2 M51376 [1,1,0,0,0,0|2,0,0]=4 159 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 M53927 [1,1,0,0,0,0|1,0,0]=3 160 B14R2.1801 COC1=CC2=C(C=N1)C(=O)C=CN2 M14113 [1,1,0,0,0,0|2,0,0]=4 161 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 M54342 [1,1,0,0,0,0|0,0,0]=2 162 B14R2.1801 COC1=CC2=NC=CC(C)=C2C=C1 M55441 [1,1,0,0,0,0|1,0,0]=3 163 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2Cl C9668 [1,1,0,0,0,0|2,0,0]=4 164 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 B53774 [1,1,0,0,0,0|1,0,0]=3 165 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 C12196 [1,1,0,0,0,0|1,0,0]=3 166 B14R2.1801 COC1=CC=C2C([Mg+])=CC=CC2=C1 M31720 [1,1,0,0,0,0|0,0,0]=2 167 B14R2.1801 COC1=CN=C2C(Cl)=CC=NC2=C1 C10430 [1,1,0,0,0,0|2,0,0]=4 168 B14R2.1801 COC1=NC=C2C(Cl)=CC=NC2=C1 C7660 [1,1,0,0,0,0|2,0,0]=4 169 B14R2.2332 BrCC1=CC=C2C=C(Br)C=CC2=C1 B55217 [1,1,0,0,0,0|1,0,0]=3 170 B14R2.2332 C=CC1=CC=C2C=C(O)C=CC2=C1 V55606 [1,1,0,0,0,0|0,0,2]=4 171 B14R2.2332 CCC1=CC=C2C=C(O)C=CC2=C1 E38092 [1,1,0,0,0,0|0,0,0]=2 172 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=N2 M51375 [1,1,0,0,0,0|2,0,0]=4 173 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M54403 [1,1,0,0,0,0|1,0,0]=3 174 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 M54343 [1,1,0,0,0,0|0,0,0]=2 175 B14R2.2332 COC1=CC2=NC=C(N)C=C2C=C1 M52288 [1,1,0,0,0,0|1,0,0]=3 176 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 B68116 [1,1,0,0,0,0|0,0,0]=2 177 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 C19090 [1,1,0,0,0,0|1,0,0]=3 178 B14R2.2332 COC1=CC=C2N=C(Cl)C=NC2=C1 C51128 [1,1,0,0,0,0|2,0,0]=4 179 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=C1 H37878 [1,1,0,0,0,0|1,0,1]=4 180 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 H25376 [1,1,0,0,0,0|1,0,1]=4 181 B14R2.2332 OCC1=CC=C2C=C(Br)C=CC2=C1 B55418 [1,1,0,0,0,0|1,0,0]=3 182 B14R2.95 CC[C@H](N)C1=CNC2=C1C=CC=C2 K54694 [0,1,0,0,1,0|2,0,0]=4 183 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 N68799 [0,2,0,0,0,0|0,0,1]=3 184 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2C=N1 E55662 [0,2,0,0,0,0|1,0,0]=3 185 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2N=C1 E39006 [0,2,0,0,0,0|1,0,0]=3 186 B16R2.767 CCOC(=O)C1=CC2=CC=CN=C2C=C1 E9598 [0,2,0,0,0,0|1,0,0]=3 187 B16R2.767 CCOC(=O)C1=CC2=CC=NC=C2C=C1 E55663 [0,2,0,0,0,0|1,0,0]=3 188 B16R2.767 CCOC(=O)C1=CC2=CN=CC=C2C=C1 E55664 [0,2,0,0,0,0|1,0,0]=3 189 B16R2.767 CCOC(=O)C1=CC2=NC=CN=C2C=C1 E54278 [0,2,0,0,0,0|2,0,0]=4 190 B16R2.767 CCOC(=O)C1=NC2=CC=CC=C2C=C1 E55660 [0,2,0,0,0,0|1,0,0]=3 191 B16R2.30336 COCOC1=CC=C2C=C(Br)C=CC2=C1 B55690 [0,2,0,0,0,0|0,0,0]=2 192 B16R2.33887 COC(=O)C1=CC2=CC=CC=C2C(O)=C1 M64299 [0,2,0,0,0,0|2,0,0]=4 193 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 M55620 [0,2,0,0,0,0|2,0,0]=4 194 B16R2.28261 CCOC1=CC=C2N=CC(Br)=C(Cl)C2=C1 B62075 [0,2,0,0,0,0|1,0,0]=3 195 B16R2.28261 CCOC1=CC=C2N=CC(Br)=C(O)C2=C1 B62076 [0,2,0,0,0,0|1,0,0]=3 196 B16R2.107862 CCOC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 D53682 [0,2,0,0,0,0|2,0,0]=4 197 B16R2.126902 CC(C)OC1=CC=C2N=CN=C(Cl)C2=C1 C37337 [0,2,0,0,0,0|2,0,0]=4 198 B16R2.33799 CNC(=O)C1=CC=C2C=C(Br)C=CC2=C1 B55596 [0,2,0,0,0,0|2,0,0]=4 199 B16R2.33799 COC(=O)C1=CC2=CC=C(O)C=C2C=C1 M21805 [0,2,0,0,0,0|2,0,0]=4 200 B16R2.33799 COC(=O)C1=CC=C2C=C(Br)C=CC2=C1 M37966 [0,2,0,0,0,0|2,0,0]=4 201 B16R2.33799 O=C(CBr)C1=CC=C2C=C(Br)C=CC2=C1 B56476 [0,2,0,0,0,0|2,0,0]=4 202 B16R2.173132 COC(=O)C1=CC=C2C(Br)=CC=CC2=C1 M56531 [0,2,0,0,0,0|2,0,0]=4 203 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 M65408 [0,2,0,0,0,0|1,0,0]=3 204 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 M55783 [0,0,1,1,0,0|2,0,0]=4 205 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 M56573 [0,0,1,1,0,0|2,0,0]=4 206 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 N55759 [0,0,1,1,0,0|2,0,0]=4 207 B14R3.164 C1=CC2=C3C(=C1)C=CN3CCC2 D15823 [0,0,0,1,1,0|2,0,0]=4 208 B16R3.17392 O=C1CCC2=C1C3=CC=CC=C3C=C2 D56676 [0,1,0,1,0,0|1,0,1]=4 209 B16R3.13490 BrC1=CC2=C(N=NO2)C3=CC=CC=C13 B64585 [0,1,0,1,0,0|2,0,0]=4 210 B16R3.31922 FC1=CC(C2CC2)=CC3=CC=NC=C13 C30046 [0,1,0,1,0,0|2,0,0]=4 211 B16R3.335 CC1=NC2=C(C=CC3=CC=CC=C32)S1 M56529 [0,1,0,1,0,0|0,1,1]=4 212 B16R3.335 CC1=NC2=C(O1)C3=CC=CC=C3C=C2 M56511 [0,1,0,1,0,0|1,0,1]=4 213 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [0,0,1,0,1,0|2,0,0]=4 214 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [0,0,1,0,1,0|2,0,0]=4 215 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [0,0,1,0,1,0|2,0,0]=4 216 B12R2.1 COC1=NNC2=C1C=CC=C2 M15069 [1,0,0,0,1,0|2,0,0]=4 217 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [1,0,0,0,1,0|2,0,0]=4 218 B12R2.1 NCC1=CNC2=C1C=CC=C2 K22443 [1,0,0,0,1,0|2,0,0]=4 219 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4626 [1,0,0,0,1,0|2,0,0]=4 220 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [1,0,0,0,1,0|1,0,0]=3 221 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [1,0,0,0,1,0|2,0,0]=4 222 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [1,0,0,0,1,0|2,0,0]=4 223 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [1,0,0,0,1,0|2,0,0]=4 224 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [1,0,0,0,1,0|2,0,0]=4 225 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [1,0,0,0,1,0|2,0,0]=4 226 B12R2.44 BrCC1=CC2=C(C=C1)SC=C2 B16000 [1,0,0,0,1,0|2,0,0]=4 227 B12R2.44 COC1=CC2=C(C=C1)C=NN2 M0480 [1,0,0,0,1,0|2,0,0]=4 228 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M48553 [1,0,0,0,1,0|2,0,0]=4 229 B12R2.44 COC1=CC2=C(C=C1)NC=N2 M48805 [1,0,0,0,1,0|2,0,0]=4 230 B12R2.44 COC1=CC2=C(C=C1)NN=C2 M7598 [1,0,0,0,1,0|2,0,0]=4 231 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [1,0,0,0,1,0|1,0,0]=3 232 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [1,0,0,0,1,0|0,0,1]=3 233 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [1,0,0,0,1,0|1,0,0]=3 234 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [1,0,0,0,1,0|1,0,0]=3 235 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [1,0,0,0,1,0|1,0,0]=3 236 B12R2.44 COC1=CN=C2C=CNC2=C1 M15516 [1,0,0,0,1,0|2,0,0]=4 237 B12R2.44 COC1=CN=C2NC=CC2=C1 M0089 [1,0,0,0,1,0|2,0,0]=4 238 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M12531 [1,0,0,0,1,0|2,0,0]=4 239 B12R2.44 COC1=NC2=C(C=CN2)C=C1 M9656 [1,0,0,0,1,0|2,0,0]=4 240 B12R2.44 COC1=NC=C2C=CNC2=C1 M15514 [1,0,0,0,1,0|2,0,0]=4 241 B12R2.44 COC1=NC=C2NC=CC2=C1 M4689 [1,0,0,0,1,0|2,0,0]=4 242 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 K25521 [1,0,0,0,1,0|2,0,0]=4 243 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 B22245 [1,0,0,0,1,0|2,0,0]=4 244 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 B24567 [1,0,0,0,1,0|2,0,0]=4