0 B13R2.162 CC1=C2C=C(Br)C=CC2=NC=C1 B53706 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.162 CC1=C2C=C(I)C=CC2=NC=C1 K53741 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 C23632 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.162 CC1=CN=C2C=CC=C(Br)C2=C1 B67826 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 D54370 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.162 ClC1=C2C=C(Br)C=NC2=CC=C1 B62347 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 B62031 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 B16895 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 A66652 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 B53713 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 NC1=CN=C2C=CC=C(Br)C2=C1 B37104 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.162 OC1=C2C=C(Br)C=CC2=CC=C1 B53612 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.162 OC1=C2C=C(Br)C=NC2=CC=C1 B50904 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 F53621 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.162 OC1=C2C=C(F)C=NC2=CC=C1 F50943 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 B53615 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=N1 C50927 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 F64850 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C50930 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 B50907 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br D11891 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br D12593 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C53724 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br B60030 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.369 CC1=NC2=CC=CC=C2C=C1N M38253 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl D50728 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br B0520 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.369 NC1=CC2=CC=CC=C2C=C1I K53740 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br B38777 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [1,0,0,0,0,0|2,0,0]=3 33 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl C18445 [1,0,0,0,0,0|1,0,1]=3 35 B13R2.5179 CC1=C2C=CC(Br)=CC2=NC=C1 B53710 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 M53895 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 C53726 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 M54373 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 M61929 [1,0,0,0,0,0|0,0,2]=3 40 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 M67755 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 D24437 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C51071 [1,0,0,0,0,0|2,0,1]=4 43 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 C64042 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 B50916 [1,0,0,0,0,0|1,0,0]=2 45 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 H51173 [1,0,0,0,0,0|1,0,0]=2 46 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 B51514 [1,0,0,0,0,0|1,0,2]=4 47 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 H51785 [1,0,0,0,0,0|1,0,2]=4 48 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 B36899 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 F53619 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 D69657 [1,0,0,0,0,0|2,0,1]=4 51 B15R2.2039 CC1=C2N=C(Cl)C(C=O)=CC2=CC=C1 C60883 [0,1,0,0,0,0|3,0,0]=4 52 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O M37436 [0,0,0,0,1,0|1,0,1]=3 53 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O B47383 [0,0,0,0,1,0|2,0,1]=4 54 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O C47391 [0,0,0,0,1,0|2,0,1]=4 55 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O B47382 [0,0,0,0,1,0|1,0,1]=3 56 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O C47390 [0,0,0,0,1,0|1,0,1]=3 57 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O F69164 [0,0,0,0,1,0|1,0,1]=3 58 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 A20644 [1,0,1,0,0,0|1,0,0]=3 59 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 H51779 [1,0,1,0,0,0|1,0,0]=3 60 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C D52800 [1,0,1,0,0,0|1,0,1]=4 61 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [1,0,1,0,0,0|1,0,0]=3 63 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [1,0,1,0,0,0|2,0,0]=4 66 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [1,0,1,0,0,0|2,0,0]=4 67 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O D52807 [1,0,1,0,0,0|1,0,1]=4 68 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [2,0,0,0,0,0|1,0,1]=4 71 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [2,0,0,0,0,0|1,0,0]=3 77 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.24 O=C1C=CC2=NC=CN=C2N1 P44867 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [2,0,0,0,0,0|0,0,2]=4 81 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [2,0,0,0,0,0|0,0,1]=3 85 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B1008 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B50848 [2,0,0,0,0,0|1,0,1]=4 91 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 M53836 [2,0,0,0,0,0|0,0,1]=3 92 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 M4609 [2,0,0,0,0,0|1,0,1]=4 93 B12R2.1081 ClC1=CC=CC2=NC=CC=C12 C24659 [2,0,0,0,0,0|1,0,1]=4 94 B12R2.1081 FC1=CC=CC2=CC=CC=C12 F60518 [2,0,0,0,0,0|2,0,0]=4 95 B12R2.1081 IC1=CC=CC2=CC=CC=C12 K53502 [2,0,0,0,0,0|2,0,0]=4 96 B12R2.1081 OC1=CC=CC2=NC=CC=C12 H4784 [2,0,0,0,0,0|1,0,1]=4 97 B12R2.1081 [Mg+]C1=CC=CC2=CC=CC=C12 N31714 [2,0,0,0,0,0|2,0,0]=4 98 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 M54344 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.11684 NCC1=C2C=C(Cl)C=CC2=CC=C1 C62780 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O H32193 [1,1,0,0,0,0|1,0,0]=3 101 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)NC1=O B47571 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.1073 COC1=C2C=CC(Cl)=NC2=CC=C1 C53783 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)N2 M53923 [1,1,0,0,0,0|0,0,0]=2 104 B14R2.28480 O=C1NC(=O)C2=C(Br)C=CC=C2N1 B69107 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.28480 O=C1NC(=O)C2=C(Cl)C=CC=C2N1 C47579 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.28480 O=C1NC(=O)C2=C(F)C=CC=C2N1 F61728 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 B47412 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 C66242 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 D50999 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 C50876 [0,1,0,0,1,0|1,0,1]=4 111 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 D53926 [0,1,0,0,1,0|1,0,1]=4 112 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O M51201 [0,1,0,0,1,0|1,0,1]=4 113 B14R2.4506 CC1=C(Br)C2=C(C=C1)NC(=O)C2=O B50865 [0,1,0,0,1,0|1,0,1]=4 114 B14R2.4506 O=C1NC2=C(C1=O)C(Cl)=C(Cl)C=C2 D47290 [0,1,0,0,1,0|1,0,1]=4 115 B14R2.4506 O=C1NC2=C(C1=O)C(Cl)=C(F)C=C2 C47292 [0,1,0,0,1,0|1,0,1]=4 116 B14R2.27750 O=C1NC2=CC(Cl)=CC(Cl)=C2C1=O D15034 [0,1,0,0,1,0|1,0,1]=4 117 B14R2.27750 O=C1NC2=CC(F)=CC(F)=C2C1=O D47296 [0,1,0,0,1,0|1,0,1]=4 118 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [0,0,1,1,0,0|2,0,0]=4 119 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 M21986 [0,0,1,1,0,0|2,0,0]=4 120 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 N69496 [0,0,1,1,0,0|1,0,1]=4 121 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 B47799 [0,0,1,0,1,0|2,0,0]=4 122 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,0,1,0,1,0|2,0,0]=4 123 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 M38358 [1,0,0,0,1,0|2,0,0]=4 124 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 B24528 [1,0,0,0,1,0|2,0,0]=4 125 B12R2.202 CC1=CC2=C(C)C=CN=C2N1 D37619 [1,0,0,0,1,0|2,0,0]=4 126 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [1,0,0,0,1,0|2,0,0]=4 127 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [1,0,0,0,1,0|0,0,2]=4 128 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 M25969 [1,0,0,0,1,0|2,0,0]=4 129 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 B23812 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 B37689 [1,0,0,0,1,0|2,0,0]=4 131 B12R2.203 OC1=NNC2=CC=CC(Br)=C21 B15307 [1,0,0,0,1,0|2,0,0]=4 132 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [1,0,0,0,1,0|2,0,0]=4 133 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [1,0,0,0,1,0|2,0,0]=4 134 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P9936 [1,0,0,0,1,0|1,0,1]=4 135 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [1,0,0,0,1,0|0,0,2]=4 136 B12R2.196 CC1=CC=CC2=C1ONC2=O M60993 [1,0,0,0,1,0|2,0,0]=4