0 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br D11891 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br D12593 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 CC1=C(N)C=C2N=CC=CC2=C1 M52277 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C53724 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 CC1=CC2=NC=CC=C2C=C1Br B53708 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br B60030 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.369 CC1=NC2=CC=CC=C2C=C1N M38253 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl C51083 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl D50728 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 ClC1=CC2=CC=NC=C2C=C1Br B50717 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br B0520 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl D22428 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.369 FC1=CC2=CN=CC=C2C=C1Br B18144 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.369 FC1=CC2=NC=CC=C2C=C1Br B50724 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.369 NC1=CC2=CC=CC=C2C=C1I K53740 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br B38777 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl C1403 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.369 NC1=NC2=CC=CC=C2N=C1N Q48862 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,0,0,0,0,0|1,0,0]=1 23 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl C18445 [0,0,0,0,0,0|2,0,0]=2 24 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 B36929 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 B4779 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 B3878 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 B4922 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 BrC1=CC2=CN=CC=C2N=C1 B21923 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 B23905 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 B9209 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 B47544 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 B47545 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 B47549 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 C47551 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 C50851 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 ClC1=CC2=CC=CN=C2N=C1 C38369 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 ClC1=CC2=CC=NC=C2C=C1 C9357 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 C9358 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 C50852 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 C36711 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 C19911 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 C13232 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 C5441 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 N11169 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 C47553 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 FC1=CC2=CC=CN=C2C=C1 F50853 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 FC1=CC2=CN=CC=C2C=C1 F9904 [1,0,0,0,0,0|3,0,0]=4 58 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 IC1=CC2=CC=CN=C2C=C1 K18700 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 IC1=CC2=NC=CC=C2N=C1 K61674 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 NC1=CC2=CC=NC=C2N=C1 N64656 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q51336 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q52219 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 NC1=CC=C2C=CN=CC2=C1 A3873 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.24 NC1=CC=C2C=NC=CC2=C1 A3872 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.24 NC1=CC=C2N=CC=CC2=C1 A67851 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [1,0,0,0,0,0|2,0,0]=3 70 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [1,0,0,0,0,0|2,0,0]=3 72 B12R2.24 O=C1C=CC2=NC=CN=C2N1 P44867 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [1,0,0,0,0,0|3,0,0]=4 74 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [1,0,0,0,0,0|2,0,1]=4 75 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [1,0,0,0,0,0|1,0,2]=4 76 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [1,0,0,0,0,0|1,0,2]=4 77 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [1,0,0,0,0,0|1,0,1]=3 78 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [1,0,0,0,0,0|2,0,1]=4 79 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [1,0,0,0,0,0|2,0,0]=3 80 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [1,0,0,0,0,0|1,0,0]=2 81 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [1,0,0,0,0,0|2,0,0]=3 82 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [1,0,0,0,0,0|2,0,0]=3 83 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [1,0,0,0,0,0|2,0,0]=3 84 B12R2.24 OC1=CC2=NC=CN=C2C=C1 Q38886 [1,0,0,0,0,0|3,0,0]=4 85 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [1,0,0,0,0,0|2,0,0]=3 86 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl C51126 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1Cl C53386 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl C53477 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O H32193 [0,1,0,0,0,0|2,0,0]=3 90 B14R2.8188 CC1=NC2=CC=CC=C2C(Cl)=C1Br B66971 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1Br B66970 [0,1,0,0,0,0|3,0,0]=4 92 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1I K66974 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.8239 CC1=C(Cl)N=C2C=C(Br)C=CC2=C1 B53559 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.8239 NC1=C(O)N=C2C=CC(Br)=CC2=N1 A32333 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)NC1=O B47571 [0,1,0,0,0,0|2,0,1]=4 96 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F B62352 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,0,1,0,0,0|1,0,1]=3 98 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,0,1,0,0,0|2,0,1]=4 99 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,0,1,0,0,0|2,0,0]=3 100 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,0,1,0,0,0|1,0,2]=4 101 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,0,1,0,0,0|1,0,2]=4 102 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,0,1,0,0,0|1,0,2]=4 103 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,0,1,0,0,0|0,0,2]=3 104 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,0,1,0,0,0|0,0,2]=3 105 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,0,1,0,0,0|1,0,2]=4 106 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)S1 D47321 [0,0,0,0,1,0|2,1,0]=4 107 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,0,0,0,1,0|2,0,0]=3 108 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 B37673 [0,0,0,0,1,0|2,1,0]=4 109 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,0,0,0,1,0|3,0,0]=4 110 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,0,0,0,1,0|3,0,0]=4 111 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,0,0,0,1,0|3,0,0]=4 112 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,0,0,0,1,0|3,0,0]=4 113 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,0,1,0|1,0,2]=4 114 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P9936 [0,0,0,0,1,0|2,0,1]=4 115 B12R2.100 OC1=C(Br)C=C2NC=CC2=C1 B15386 [0,0,0,0,1,0|3,0,0]=4 116 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 C15382 [0,0,0,0,1,0|3,0,0]=4 117 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 D69163 [0,0,0,0,1,0|2,0,1]=4 118 B14R2.741 CN1N=CC2=C(C=CC=C2)CC1=O M66586 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [1,0,1,0,0,0|1,0,0]=3 120 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [1,0,1,0,0,0|0,0,0]=2 121 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [1,0,1,0,0,0|1,0,1]=4 122 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [1,0,1,0,0,0|1,0,1]=4 123 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,1,0,0,0|1,0,0]=3 124 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,1,0,0,0|1,0,0]=3 125 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,1,0,0,0|0,0,2]=4 126 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [1,0,1,0,0,0|1,0,0]=3 127 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [1,0,1,0,0,0|1,0,0]=3 128 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,1,0,0,0|1,0,1]=4 129 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,1,0,0,0|0,0,0]=2 130 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [1,0,1,0,0,0|1,0,0]=3 131 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [1,0,1,0,0,0|1,0,0]=3 132 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [1,0,1,0,0,0|1,0,1]=4 133 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [1,0,1,0,0,0|1,0,0]=3 134 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [1,0,1,0,0,0|1,0,1]=4 135 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [1,0,1,0,0,0|1,0,1]=4 136 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [1,0,1,0,0,0|1,0,1]=4 137 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [1,0,1,0,0,0|1,0,1]=4 138 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [1,0,1,0,0,0|1,0,1]=4 139 B11R2.20 C1=CC2=CN=CC=C2N=C1 N68351 [2,0,0,0,0,0|2,0,0]=4 140 B11R2.20 C1=CC=C2C=NC=CC2=C1 Q68586 [2,0,0,0,0,0|2,0,0]=4 141 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [2,0,0,0,0,0|2,0,0]=4 142 B11R2.20 C1=CN=C2C=CC=NC2=C1 N47854 [2,0,0,0,0,0|2,0,0]=4 143 B11R2.20 C1=CN=C2N=CC=CC2=C1 D38003 [2,0,0,0,0,0|2,0,0]=4 144 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A52242 [0,1,1,0,0,0|0,0,2]=4 145 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,1,1,0,0,0|0,0,2]=4 146 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,1,1,0,0,0|0,0,2]=4 147 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,1,1,0,0,0|0,0,2]=4 148 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O P52123 [0,1,1,0,0,0|0,0,2]=4 149 B13R2.32 CC1=C(Br)C=NC2=CC=CC=C21 B53702 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 C24644 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 M53894 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.32 CC1=C([Mg+])C2=CC=CC=C2C=C1 M31716 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.32 ClC1=C(Br)C=NC2=CC=CC=C21 B38667 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.32 ClC1=C(I)C=NC2=CC=CC=C21 C6470 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 A51052 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 C62029 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 Q66279 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.32 NC1=C(O)C2=CC=CC=C2N=C1 A51341 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 B39639 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.32 OC1=C(Br)C2=CN=CC=C2C=C1 B50915 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 B67708 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 C38681 [1,1,0,0,0,0|1,0,0]=3 163 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 K53627 [1,1,0,0,0,0|1,0,0]=3 164 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 I6887 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B55307 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 B53698 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 E67694 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 E63866 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 V55310 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 M52278 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [1,1,0,0,0,0|1,0,0]=3 172 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M69058 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.57 COC1=CC2=CC=NC=C2C=C1 M53897 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [1,1,0,0,0,0|1,0,1]=4 175 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 C55309 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 C53733 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 C3747 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 Q3937 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N54371 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N55437 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 Q61339 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 N39648 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 H51702 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N64900 [1,1,0,0,0,0|1,0,0]=3 185 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 Q1105 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 F1406 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 I38800 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 Q53901 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 D38459 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.155 BrC1=CN=C2C=CC(I)=CC2=C1 B50726 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.155 CC1=CC2=C(C=CC(=O)O2)C=C1 M61105 [1,1,0,0,0,0|0,0,0]=2 194 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=N1 B23904 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 D55696 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.155 CC1=CC=C2C=CC(Cl)=CC2=N1 C69390 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.155 CC1=CN=C2C=CC(Br)=CC2=C1 B63923 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.155 ClC1=CC=C2C=CC(Br)=CC2=N1 B27005 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.155 FC1=CC=C2C=CC(Br)=NC2=C1 B50721 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 A48394 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 A51352 [1,1,0,0,0,0|1,0,0]=3 202 B13R2.155 NC1=CC=C2C=CC(=O)N=C2N1 A48399 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 B32431 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 A54232 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 B25009 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.155 NC1=CN=C2C=CC(Cl)=CC2=C1 C60946 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 C50935 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)N1 B27007 [1,1,0,0,0,0|1,0,0]=3 209 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)O1 B50763 [1,1,0,0,0,0|0,0,0]=2 210 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 C67752 [1,1,0,0,0,0|1,0,0]=3 211 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 F50771 [1,1,0,0,0,0|0,0,0]=2 212 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 H24988 [1,1,0,0,0,0|1,0,0]=3 213 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 B47607 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.155 OC1=CC=C2C=CC(Br)=CC2=C1 B53613 [1,1,0,0,0,0|1,0,0]=3 215 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 C62024 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 B50905 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 K50958 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.155 OC1=CN=C2C=CC(Cl)=CC2=C1 C50924 [1,1,0,0,0,0|1,0,0]=3 219 B13R2.155 OC1=NC=C2C=CC(Br)=CC2=C1 B9361 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.155 OC1=NC=C2C=CC(F)=CC2=C1 F50945 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 C23632 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=N1 B53712 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.162 CC1=CN=C2C=CC=C(Br)C2=C1 B67826 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 D54370 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 M37877 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.162 ClC1=C2C=C(Br)C=NC2=CC=C1 B62347 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=N1 B20804 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 D50730 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 B62031 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 B16895 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 A66652 [1,1,0,0,0,0|1,0,0]=3 232 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 B53713 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 A51340 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.162 NC1=CN=C2C=CC=C(Br)C2=C1 B37104 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2O1 B50765 [1,1,0,0,0,0|0,0,0]=2 236 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 F50947 [1,1,0,0,0,0|1,0,0]=3 237 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 H64549 [1,1,0,0,0,0|0,0,0]=2 238 B13R2.162 OC1=C2C=C(Br)C=CC2=CC=C1 B53612 [1,1,0,0,0,0|2,0,0]=4 239 B13R2.162 OC1=C2C=C(Br)C=NC2=CC=C1 B50904 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 F53621 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.162 OC1=C2C=C(F)C=NC2=CC=C1 F50943 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.162 OC1=C2N=C(Br)C=CC2=CC=C1 B50903 [1,1,0,0,0,0|2,0,0]=4 243 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 C28732 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 B53615 [1,1,0,0,0,0|1,0,0]=3 245 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=N1 C50927 [1,1,0,0,0,0|1,0,1]=4 246 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 F64850 [1,1,0,0,0,0|1,0,0]=3 247 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C50930 [1,1,0,0,0,0|2,0,0]=4 248 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 B50907 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)N1 M53903 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 B53700 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 D54369 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 C9556 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 M38860 [1,1,0,0,0,0|1,0,1]=4 254 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 B53703 [1,1,0,0,0,0|2,0,0]=4 255 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 C53725 [1,1,0,0,0,0|2,0,0]=4 256 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 M69060 [1,1,0,0,0,0|2,0,0]=4 257 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 M60829 [1,1,0,0,0,0|2,0,0]=4 258 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 D9344 [1,1,0,0,0,0|2,0,0]=4 259 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 A51343 [1,1,0,0,0,0|1,0,0]=3 260 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 B51046 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 C51069 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 B51048 [1,1,0,0,0,0|2,0,0]=4 263 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 A68849 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 B38904 [1,1,0,0,0,0|1,0,0]=3 265 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 C50932 [1,1,0,0,0,0|1,0,0]=3 266 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 C63746 [1,1,0,0,0,0|0,0,0]=2 267 B13R2.328 O=C1C=C(Cl)C2=C(N=CC=C2)N1 C47614 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 D69317 [1,1,0,0,0,0|1,0,0]=3 269 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [1,1,0,0,0,0|1,0,1]=4 270 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [1,1,0,0,0,0|2,0,0]=4 271 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [1,1,0,0,0,0|2,0,0]=4 272 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.328 OC1=CC(Br)=CC2=CC=CC=C12 B61353 [1,1,0,0,0,0|2,0,0]=4 274 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 B53616 [1,1,0,0,0,0|1,0,0]=3 275 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 N60644 [1,1,0,0,0,0|1,0,0]=3 276 B13R2.328 OC1=CC2=CC=CN=C2C(Cl)=C1 C38085 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 D53419 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.3683 BrC1=CC=C2C=C(I)C=CC2=C1 B61001 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.3683 BrC1=CN=C2C=C(I)C=CC2=C1 B32308 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=N1 B38532 [1,1,0,0,0,0|2,0,0]=4 281 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 F53735 [1,1,0,0,0,0|2,0,0]=4 282 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 B53701 [1,1,0,0,0,0|2,0,0]=4 283 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 D68332 [1,1,0,0,0,0|2,0,0]=4 284 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=C1 B53709 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 B4249 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 B25671 [1,1,0,0,0,0|2,0,0]=4 287 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 C50740 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 D50729 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.3683 ClC1=CN=C2C=C(Br)C=CC2=C1 B50715 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 B53420 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=N1 B50723 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.3683 FC1=CC=C2N=C(Br)C=CC2=C1 B50720 [1,1,0,0,0,0|2,0,0]=4 293 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 A48393 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 B0908 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 B53721 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 B61770 [1,1,0,0,0,0|2,0,0]=4 297 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 F53736 [1,1,0,0,0,0|2,0,0]=4 298 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=N1 F51093 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.3683 NC1=CC=C2C=C(O)C=NC2=C1 A51342 [1,1,0,0,0,0|1,0,0]=3 300 B13R2.3683 NC1=CN=C2C=C(Br)C=CC2=C1 B51050 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.3683 NC1=CN=C2C=C(Cl)C=CC2=C1 C51073 [1,1,0,0,0,0|2,0,0]=4 302 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 C50936 [1,1,0,0,0,0|2,0,0]=4 303 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 B1071 [1,1,0,0,0,0|1,0,0]=3 304 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)O1 B50762 [1,1,0,0,0,0|0,0,0]=2 305 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)N1 H38004 [1,1,0,0,0,0|1,0,0]=3 306 B13R2.3683 O=C1C=CC2=CC(Cl)=CN=C2N1 C47615 [1,1,0,0,0,0|2,0,0]=4 307 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 B36742 [1,1,0,0,0,0|0,0,2]=4 308 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)O1 K51271 [1,1,0,0,0,0|0,0,2]=4 309 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 B10857 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 B67431 [1,1,0,0,0,0|1,0,0]=3 311 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 B50906 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 C63906 [1,1,0,0,0,0|1,0,0]=3 313 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 F53620 [1,1,0,0,0,0|1,0,0]=3 314 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 K50959 [1,1,0,0,0,0|1,0,1]=4 315 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 C50923 [1,1,0,0,0,0|2,0,0]=4 316 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=N1 B47608 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 M53895 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 M61364 [1,1,0,0,0,0|2,0,0]=4 319 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 C53726 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 M54373 [1,1,0,0,0,0|2,0,0]=4 321 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 M67755 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.5179 ClC1=C2N=CC(Br)=CC2=CC=C1 B38411 [1,1,0,0,0,0|2,0,0]=4 323 B13R2.5179 ClC1=C2N=CC(I)=CC2=CC=C1 C50742 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 D24437 [1,1,0,0,0,0|2,0,0]=4 325 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 F63858 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 B51047 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C51071 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 C64042 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 B50916 [1,1,0,0,0,0|1,0,0]=3 330 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 H51173 [1,1,0,0,0,0|1,0,0]=3 331 B13R2.5179 O=C1C=CNC2=C1C=CC(O)=C2 H62038 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 H12093 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 H51182 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 B36899 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 F53619 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl C50929 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 C28695 [1,1,0,0,0,0|2,0,0]=4 338 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 D69657 [1,1,0,0,0,0|1,0,0]=3 339 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 M61458 [0,1,0,0,1,0|2,0,0]=4 340 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 M53796 [0,1,0,0,1,0|1,0,0]=3 341 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 M53912 [0,1,0,0,1,0|2,0,0]=4 342 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 B50785 [0,1,0,0,1,0|2,0,0]=4 343 B13R2.135 O=CC1=C(Cl)NC2=C1C=CC=C2 C50937 [0,1,0,0,1,0|2,0,0]=4 344 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M68330 [0,1,0,0,1,0|1,0,1]=4 345 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O B67844 [0,1,0,0,1,0|1,0,1]=4 346 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O C64901 [0,1,0,0,1,0|1,0,1]=4 347 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O F28487 [0,1,0,0,1,0|1,0,1]=4 348 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O K61448 [0,1,0,0,1,0|1,0,1]=4 349 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 M61712 [0,1,0,0,1,0|1,0,1]=4 350 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O A67668 [0,1,0,0,1,0|2,0,0]=4 351 B13R2.3085 O=C1C(=O)C2=C(C=CC=C2)C1=O T69116 [0,1,0,0,1,0|0,0,1]=3 352 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1Cl C39456 [0,1,0,0,1,0|2,0,0]=4 353 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O H37816 [0,1,0,0,1,0|1,0,0]=3 354 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O M37436 [0,1,0,0,1,0|1,0,1]=4 355 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O B47383 [0,1,0,0,1,0|1,0,1]=4 356 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O C47391 [0,1,0,0,1,0|1,0,1]=4 357 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O B47382 [0,1,0,0,1,0|1,0,1]=4 358 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O C47390 [0,1,0,0,1,0|1,0,1]=4 359 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O F69164 [0,1,0,0,1,0|1,0,1]=4 360 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 B47991 [0,1,0,0,1,0|2,0,0]=4 361 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O B9750 [0,1,0,0,1,0|1,0,1]=4 362 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O C38431 [0,1,0,0,1,0|1,0,1]=4 363 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O F47400 [0,1,0,0,1,0|1,0,1]=4 364 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O K47409 [0,1,0,0,1,0|1,0,1]=4 365 B15R2.117 COC1=CC2=CC=CC=C2C=C1C=O M55611 [0,2,0,0,0,0|1,0,0]=3 366 B15R2.117 COC1=CC2=CC=CC=C2C=C1OC D55763 [0,2,0,0,0,0|1,0,1]=4 367 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1N A54266 [0,2,0,0,0,0|2,0,0]=4 368 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O A55353 [0,2,0,0,0,0|2,0,0]=4 369 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O X12282 [0,2,0,0,0,0|1,0,0]=3 370 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O H68929 [0,2,0,0,0,0|1,0,0]=3 371 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl C25139 [0,2,0,0,0,0|2,0,0]=4 372 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O X50830 [0,2,0,0,0,0|2,0,0]=4 373 B15R2.1754 O=CC1=CC2=C(C=C(O)C=C2)OC1=O H62290 [0,2,0,0,0,0|0,0,1]=3 374 B15R2.63893 CC1=C(Br)C(=O)OC2=C1C=CC(O)=C2 B53605 [0,2,0,0,0,0|1,0,0]=3 375 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,0,1,1,0,0|2,0,0]=4 376 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,0,1,1,0,0|1,0,0]=3 377 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,0,1,1,0,0|1,1,0]=4 378 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 B51183 [0,0,1,1,0,0|2,0,0]=4 379 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,0,1,1,0,0|0,0,0]=2 380 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,0,1,1,0,0|0,1,0]=3 381 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,0,1,1,0,0|2,0,0]=4 382 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 T0447 [0,0,1,1,0,0|1,1,0]=4 383 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,0,1,1,0,0|2,0,0]=4 384 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 F8714 [0,0,1,1,0,0|1,0,0]=3 385 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,0,1,1,0,0|2,0,0]=4 386 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 T12732 [0,0,1,1,0,0|1,1,0]=4 387 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 K3713 [0,0,1,1,0,0|2,0,0]=4 388 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,0,1,1,0,0|2,0,0]=4 389 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,0,1,1,0,0|1,1,0]=4 390 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 P47887 [0,0,1,1,0,0|2,0,0]=4 391 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)O1 D9444 [0,0,1,1,0,0|0,0,2]=4 392 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 B37604 [0,0,1,1,0,0|1,0,1]=4 393 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 B1440 [0,0,1,1,0,0|1,0,1]=4 394 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 Q53566 [0,0,1,1,0,0|2,0,0]=4 395 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2N1 B32055 [0,0,1,1,0,0|2,0,0]=4 396 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2S1 B63343 [0,0,1,1,0,0|1,1,0]=4 397 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,0,1,0,1,0|1,0,0]=3 398 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,1,0,1,0|0,0,2]=4 399 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,0,1,0,1,0|1,0,1]=4 400 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,0,1,0,1,0|1,0,1]=4 401 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,0,1,0,1,0|1,0,1]=4 402 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,0,1,0,1,0|1,0,1]=4 403 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,0,1,0,1,0|0,0,1]=3 404 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,0,1,0,1,0|1,0,1]=4 405 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [1,0,0,0,1,0|1,0,0]=3 406 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [1,0,0,0,1,0|1,1,0]=4 407 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,0,1,0|1,0,1]=4 408 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [1,0,0,0,1,0|2,0,0]=4 409 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [1,0,0,0,1,0|2,0,0]=4 410 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,0,1,0|2,0,0]=4 411 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [1,0,0,0,1,0|2,0,0]=4 412 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [1,0,0,0,1,0|2,0,0]=4 413 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [1,0,0,0,1,0|2,0,0]=4 414 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [1,0,0,0,1,0|1,0,1]=4 415 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [1,0,0,0,1,0|2,0,0]=4 416 B11R2.1 OC1=COC2=C1N=CC=C2 F32399 [1,0,0,0,1,0|1,0,0]=3 417 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [1,0,0,0,1,0|1,0,1]=4 418 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [1,0,0,0,1,0|1,0,0]=3 419 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [1,0,0,0,1,0|1,1,0]=4 420 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [1,0,0,0,1,0|1,0,1]=4 421 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [1,0,0,0,1,0|2,0,0]=4 422 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [1,0,0,0,1,0|1,1,0]=4 423 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [1,0,0,0,1,0|2,0,0]=4 424 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [1,0,0,0,1,0|2,0,0]=4 425 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [1,0,0,0,1,0|2,0,0]=4 426 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [1,0,0,0,1,0|2,0,0]=4 427 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [1,0,0,0,1,0|1,1,0]=4 428 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [1,0,0,0,1,0|2,0,0]=4 429 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [1,0,0,0,1,0|2,0,0]=4 430 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [1,0,0,0,1,0|1,0,1]=4 431 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [1,0,0,0,1,0|2,0,0]=4 432 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [1,0,0,0,1,0|2,0,0]=4 433 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [1,0,0,0,1,0|1,0,0]=3 434 B11R2.10 OC1=CN2C=CC=CC2=N1 K45215 [1,0,0,0,1,0|2,0,0]=4 435 B11R2.36 O=C1C=CC2=C(C=CN2)N1 P45226 [1,0,0,0,1,0|2,0,0]=4 436 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [1,0,0,0,1,0|2,0,0]=4 437 B11R2.36 OC1=CC2=C(C=C1)SC=C2 B36743 [1,0,0,0,1,0|2,0,0]=4 438 B11R2.36 OC1=CC2=C(C=CN2)C=C1 H2141 [1,0,0,0,1,0|2,0,0]=4 439 B11R2.36 OC1=CNC2=NC=CC2=C1 P9657 [1,0,0,0,1,0|2,0,0]=4 440 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,0,1,0,0,1|0,0,2]=4 441 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [0,0,1,0,0,1|0,0,2]=4 442 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [0,0,1,0,0,1|0,0,2]=4