0 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 2023AA [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 Z4017 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.61 CC(=O)C1=CC=NC=C1N 7556AJ [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [0,0,0,0,0,0|4,0,0]=4 9 B10R1.61 CC(=O)C1=NC=CN=C1N 3777AA [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [0,0,0,0,0,0|1,0,1]=2 11 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,0,0,0,0,0|3,0,0]=3 12 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,0,0,0,0,0|2,0,1]=3 14 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [0,0,0,0,0,0|3,0,1]=4 18 B10R1.61 CN(C)C1=C(F)C=CC=C1 9536AF [0,0,0,0,0,0|4,0,0]=4 19 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [0,0,0,0,0,0|2,0,1]=3 22 B10R1.61 C[C@H](N)C1=CC=CC=C1Cl W7853 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.61 FC1=CC=CC=C1C(F)F 7228AE [0,0,0,0,0,0|3,0,1]=4 24 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [0,0,0,0,0,0|2,0,0]=2 25 B10R1.61 N=C(N)C1=C(Cl)C=CC=N1 2250AJ [0,0,0,0,0,0|3,0,0]=3 26 B10R1.61 N=C(N)C1=CC=CC=C1Cl 6297AB [0,0,0,0,0,0|2,0,0]=2 27 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [0,0,0,0,0,0|2,0,0]=2 28 B10R1.61 N=C(N)C1=CC=CNC1=O 1879AF [0,0,0,0,0,0|2,0,1]=3 29 B10R1.61 NC1=C([N+](=O)[O-])C=CN=C1 Z4105 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.61 NC1=CN=CN=C1C(=O)O 8941AB [0,0,0,0,0,0|4,0,0]=4 31 B10R1.61 NC1=NN=CC=C1C(=O)O W4411 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 Y9704 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.61 O=C(O)C1=C(I)N=CC=C1 1745AJ [0,0,0,0,0,0|3,0,0]=3 34 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 Z7729 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.61 O=[N+]([O-])C1=C(I)C=NC=C1 5896AJ [0,0,0,0,0,0|4,0,0]=4 36 B10R1.61 O=[N+]([O-])C1=C(O)C=NC=C1 X9895 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.61 O=[N+]([O-])C1=C(O)N=CN=C1 W4529 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,0,0,0,0,0|3,0,0]=4 42 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 N=C(N)C1=CC=NC=C1 4648AC [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 NC(=O)C1=CC=NN=C1 Z3384 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 NC(=S)C1=CN=CN=C1 4656AC [1,0,0,0,0,0|2,1,0]=4 51 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 O=[N+]([O-])C1=CC=NC=C1 N230 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 X3371 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 C#CC1=C(O)C=CC=C1 7065AB [1,0,0,0,0,0|1,0,1]=3 61 B9R1.15 C#CC1=CC=CC=C1Br 1939AC [1,0,0,0,0,0|2,0,1]=4 62 B9R1.15 C(=O)C1=CNC=CC1=O KMA0001 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [1,0,0,0,0,0|2,0,0]=3 64 B9R1.15 C=CC1=CC=CC=C1N Y8954 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.15 C=CC1=CC=CC=[N+]1C 0254AQ [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.15 CC1=C(NN)C=NC=C1 2421AC [1,0,0,0,0,0|3,0,0]=4 68 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 CC1=NC=CC=C1CN 8679AB [1,0,0,0,0,0|2,0,1]=4 70 B9R1.15 CCC1=CC=CC=C1C Z4941 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.15 CNC1=CC=CC=C1Br 0544AC [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 COC1=C(O)C=NC=C1 7687AA [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [1,0,0,0,0,0|2,0,1]=4 74 B9R1.15 N#CC1=C(O)C=NC=C1 3723AC [1,0,0,0,0,0|1,0,2]=4 75 B9R1.15 NC1=C(C=O)C=CN=C1 2155AJ [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 NC1=C(C=O)C=NC=N1 8310AA [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 NC1=CN=CC=C1C=O 3083AA [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [1,0,0,0,0,0|2,0,1]=4 79 B9R1.15 NCC1=C(Cl)C=NC=C1 3709AC [1,0,0,0,0,0|2,0,1]=4 80 B9R1.15 NCC1=C(F)C=NC=C1 W8931 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [1,0,0,0,0,0|1,0,1]=3 82 B9R1.15 NCC1=CC=CC=C1N W5201 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [1,0,0,0,0,0|2,0,1]=4 84 B9R1.15 NNC1=C(Cl)C=CC=C1 2065AL [1,0,0,0,0,0|2,0,0]=3 85 B9R1.15 NNC1=C(Cl)N=CC=C1 2782AA [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 NNC1=NC=CC=C1Br V6518 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.15 NNC1=NC=CC=C1I Z0677 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.15 O=CC1=CN=CC=C1Br W3357 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.15 O=CC1=NC=CC=C1O V2372 [1,0,0,0,0,0|1,0,0]=2 90 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 1385AL [0,1,0,0,0,0|2,0,0]=3 91 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 1775AB [0,1,0,0,0,0|1,0,1]=3 92 B11R1.53 CC(C)C1=CC=CC=C1CO 0808AB [0,1,0,0,0,0|2,0,1]=4 93 B11R1.53 CCC1=NC=CC=C1C(=O)O 4086AB [0,1,0,0,0,0|3,0,0]=4 94 B11R1.53 COC1=C(C(=O)O)C=NC=N1 6197AJ [0,1,0,0,0,0|3,0,0]=4 95 B11R1.53 COC1=C(C(N)=O)C=NC=C1 1526AC [0,1,0,0,0,0|1,0,0]=2 96 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 0915AC [0,1,0,0,0,0|1,0,1]=3 97 B11R1.53 COC1=CC=CC=C1C(=N)N 4779AE [0,1,0,0,0,0|1,0,0]=2 98 B11R1.53 COC1=CC=CC=C1[C@@H](C)O 2322AA [0,1,0,0,0,0|1,0,2]=4 99 B11R1.53 COC1=CC=CC=C1[C@H](C)O 1624AA [0,1,0,0,0,0|1,0,2]=4 100 B11R1.53 CSC1=C(C(N)=O)C=CC=N1 Y7856 [0,1,0,0,0,0|1,1,0]=3 101 B11R1.53 CSC1=CC=CC=C1C(C)=O W3214 [0,1,0,0,0,0|1,1,0]=3 102 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 1354AC [0,1,0,0,0,0|3,0,0]=4 103 B11R1.53 N#CC1=C(C(=O)O)C=CN=C1 1346AA [0,1,0,0,0,0|3,0,0]=4 104 B11R1.53 N#CC1=C(C(=O)O)N=CC=C1 7716AB [0,1,0,0,0,0|3,0,0]=4 105 B11R1.53 NNC1=C(C(=O)O)C=CC=N1 3348AE [0,1,0,0,0,0|3,0,0]=4 106 B11R1.53 O=C(Br)C1=C(CBr)C=CC=C1 2821AE [0,1,0,0,0,0|2,0,0]=3 107 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 1604AB [0,1,0,0,0,0|2,0,1]=4 108 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CO 4749AJ [0,1,0,0,0,0|3,0,0]=4 109 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 8926AA [0,1,0,0,0,0|2,0,1]=4 110 B11R1.87 CC1=C(S(N)(=O)=O)N=CC=C1 0118AC [0,1,0,0,0,0|3,0,0]=4 111 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CN=C1 2192AC [0,1,0,0,0,0|3,0,0]=4 112 B11R1.87 NS(=O)(=O)C1=CC=CN=C1Cl 2022AE [0,1,0,0,0,0|3,0,0]=4 113 B11R1.87 O=S(=O)(F)C1=C(F)C=CC=C1 5560AJ [0,1,0,0,0,0|3,0,0]=4 114 B11R1.87 O=S(=O)(O)C1=C(I)C=CC=C1 5660AL [0,1,0,0,0,0|3,0,0]=4 115 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N 8153AB [0,1,0,0,0,0|2,0,0]=3 116 B11R1.156 CC(=O)C1=C(Br)C=NC=C1F 5610AA [0,1,0,0,0,0|3,0,0]=4 117 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 4682AA [0,1,0,0,0,0|3,0,0]=4 118 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl X5513 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.156 CC1=C(C(=O)O)C(I)=CC=C1 X8086 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 7646AA [0,1,0,0,0,0|2,0,0]=3 121 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N 3805AA [0,1,0,0,0,0|2,0,1]=4 122 B11R1.156 CC1=CC=NC(Br)=C1C(=O)O 0133AC [0,1,0,0,0,0|3,0,0]=4 123 B11R1.156 CC1=CC=NC(C)=C1C(=O)O 1387AJ [0,1,0,0,0,0|3,0,0]=4 124 B11R1.156 CC1=CC=NC(Cl)=C1C(=O)O 6948AA [0,1,0,0,0,0|3,0,0]=4 125 B11R1.156 CC1=CN=CC(C)=C1C(=O)O 7877AB [0,1,0,0,0,0|3,0,0]=4 126 B11R1.156 CC1=CN=CC(F)=C1C(=O)O 3721AA [0,1,0,0,0,0|3,0,0]=4 127 B11R1.156 CC1=NC=CC(Br)=C1C(=O)O 1355AA [0,1,0,0,0,0|3,0,0]=4 128 B11R1.156 CC1=NC=CC(C)=C1C(=O)O 8068AB [0,1,0,0,0,0|3,0,0]=4 129 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1F 1259AL [0,1,0,0,0,0|2,0,1]=4 130 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl 1411AJ [0,1,0,0,0,0|2,0,0]=3 131 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 1668AJ [0,1,0,0,0,0|2,0,0]=3 132 B11R1.156 N=C(N)C1=C(F)C=CC=C1F 1412AJ [0,1,0,0,0,0|2,0,0]=3 133 B11R1.156 N=C(N)C1=C(F)C=CC=C1F 1413AJ [0,1,0,0,0,0|2,0,0]=3 134 B11R1.156 NC(=O)C1=C(Cl)N=CC=C1Cl 8467AE [0,1,0,0,0,0|2,0,0]=3 135 B11R1.156 NC(=S)C1=C(F)C=CC=C1F Y6316 [0,1,0,0,0,0|1,1,0]=3 136 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=N1 Z4930 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O 5040AB [0,1,0,0,0,0|1,0,0]=2 138 B11R1.156 O=C(O)C1=C(Br)N=CC=C1O Z7668 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F 7172AB [0,1,0,0,0,0|3,0,0]=4 140 B11R1.156 OB(O)C1=C(O)C=CC=C1O Y5572 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.159 CC(=O)C1=C(N)C(Br)=CC=C1 Q602 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.159 CC(=O)C1=CC=CC(O)=C1O X9891 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.159 CC(C)C1=CC=CC(O)=C1O 0871AB [0,1,0,0,0,0|2,0,1]=4 144 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O 3708AA [0,1,0,0,0,0|3,0,0]=4 145 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br 1597AJ [0,1,0,0,0,0|3,0,0]=4 146 B11R1.159 CC1=C(C(=O)O)C=NC=C1N 3079AJ [0,1,0,0,0,0|3,0,0]=4 147 B11R1.159 CC1=C(O)C(C(N)=O)=CC=C1 5564AJ [0,1,0,0,0,0|0,0,0]=1 148 B11R1.159 CC1=C(O)C([N+](=O)[O-])=NC=C1 X2104 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 1343AJ [0,1,0,0,0,0|2,0,0]=3 150 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F V8396 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.159 NC(=S)C1=C(Cl)C(Cl)=CC=C1 0542AF [0,1,0,0,0,0|1,1,0]=3 152 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O Z4830 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.159 NC1=CC=CC(C(=O)O)=C1I 0474AQ [0,1,0,0,0,0|2,0,0]=3 154 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 3884AA [0,1,0,0,0,0|3,0,0]=4 155 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl X5086 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.159 O=C(O)C1=CC=CC(O)=C1F Z1094 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.159 O=C(O)C1=CN=CC(Cl)=C1Cl 4093AE [0,1,0,0,0,0|3,0,0]=4 158 B11R1.159 O=C(O)C1=NC=NC(O)=C1O 3047AJ [0,1,0,0,0,0|3,0,0]=4 159 B11R1.159 O=[N+]([O-])C1=C(Br)C(Br)=CC=C1 V4790 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.159 O=[N+]([O-])C1=CC=CC(O)=C1O 0237AC [0,1,0,0,0,0|2,0,0]=3 161 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 1378AL [0,1,0,0,0,0|2,0,0]=3 162 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 5596AH [0,1,0,0,0,0|2,0,0]=3 163 B11R1.166 CC(=O)C1=C(C)NC(=O)C=C1 4868AE [0,1,0,0,0,0|3,0,0]=4 164 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 5230AB [0,1,0,0,0,0|1,0,0]=2 165 B11R1.166 CC(=O)C1=CC=C(N)C=C1C 4920AB [0,1,0,0,0,0|2,0,0]=3 166 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 2069AF [0,1,0,0,0,0|3,0,0]=4 167 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F Z7758 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.166 CC1=C(C(=N)N)C=CC(Cl)=C1 1883AF [0,1,0,0,0,0|2,0,0]=3 169 B11R1.166 CC1=C(C(N)=S)C=CC(Cl)=C1 8169AD [0,1,0,0,0,0|1,1,0]=3 170 B11R1.166 CC1=CC(Br)=CN=C1C(N)=O V3028 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 Y8311 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 7695AC [0,1,0,0,0,0|2,0,1]=4 173 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 1357AA [0,1,0,0,0,0|3,0,0]=4 174 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 1620AJ [0,1,0,0,0,0|3,0,0]=4 175 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 2096AL [0,1,0,0,0,0|2,0,0]=3 176 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 Y9176 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 2277AJ [0,1,0,0,0,0|3,0,0]=4 178 B11R1.166 CC1=NC(N)=CC=C1C(=O)O 0478AC [0,1,0,0,0,0|3,0,0]=4 179 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 X9715 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 2379AC [0,1,0,0,0,0|2,0,1]=4 181 B11R1.166 C[C@@H](N)C1=CC=C(Br)C=C1F W8737 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1F W8720 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.166 N=C(N)C1=C(F)C=C(F)C=C1 1881AF [0,1,0,0,0,0|2,0,0]=3 184 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 3281AH [0,1,0,0,0,0|2,0,0]=3 185 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 1384AJ [0,1,0,0,0,0|2,0,0]=3 186 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 4921AH [0,1,0,0,0,0|2,0,0]=3 187 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 5593AH [0,1,0,0,0,0|2,0,0]=3 188 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 5020AH [0,1,0,0,0,0|2,0,0]=3 189 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 1045AA [0,1,0,0,0,0|1,0,0]=2 190 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=N1 2582AB [0,1,0,0,0,0|2,0,0]=3 191 B11R1.166 NC(=O)C1=CN=C(O)C=C1O 6041AJ [0,1,0,0,0,0|1,0,0]=2 192 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N W7761 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.166 NC1=CC(O)=NC=C1C(=O)O Z5190 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.166 O=C(O)C1=C(Br)C=C(Br)N=C1 1337AC [0,1,0,0,0,0|3,0,0]=4 195 B11R1.166 O=C(O)C1=C(Cl)N=C(F)C=C1 3712AA [0,1,0,0,0,0|3,0,0]=4 196 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 3121AC [0,1,0,0,0,0|3,0,0]=4 197 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl 1385AA [0,1,0,0,0,0|3,0,0]=4 198 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Br 1384AA [0,1,0,0,0,0|3,0,0]=4 199 B11R1.166 O=C(O)C1=CC=C(I)C=C1O 8615AA [0,1,0,0,0,0|1,0,0]=2 200 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 2655AA [0,1,0,0,0,0|2,0,0]=3 201 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F Y8203 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl 5397AA [0,1,0,0,0,0|3,0,0]=4 203 B11R1.166 O=[N+]([O-])C1=C(I)C=C(Br)C=C1 4127AB [0,1,0,0,0,0|3,0,0]=4 204 B11R1.166 O=[N+]([O-])C1=C(O)C=C(F)C=N1 3057AC [0,1,0,0,0,0|3,0,0]=4 205 B11R1.166 O=[N+]([O-])C1=CC=C(I)C=C1F V5003 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.166 O=[N+]([O-])C1=CC=C(O)N=C1O W3475 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.166 OB(O)C1=CC=C(F)C=C1O V1926 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 X7080 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl 1794AF [0,1,0,0,0,0|3,0,0]=4 210 B11R1.167 CC(=O)C1=CC(N)=CC=C1F X8360 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 1797AA [0,1,0,0,0,0|3,0,0]=4 212 B11R1.167 CC1=C(C(=O)O)OC(=O)C=C1 3225AB [0,1,0,0,0,0|3,0,0]=4 213 B11R1.167 CC1=C(C(N)=O)C=[N+](C)C=C1 8765AC [0,1,0,0,0,0|2,0,0]=3 214 B11R1.167 CC1=CC=C(Cl)C=C1C(N)=O Y5855 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.167 CC1=CC=C(Cl)C=C1[N+](=O)[O-] F313 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 1880AF [0,1,0,0,0,0|2,0,0]=3 217 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 5851AH [0,1,0,0,0,0|2,0,0]=3 218 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 Y3581 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.167 CC1=NC(C(=O)O)=C(C)C=C1 2855AC [0,1,0,0,0,0|3,0,0]=4 220 B11R1.167 CC1=NC(C(=O)O)=C(O)C=C1 6892AA [0,1,0,0,0,0|2,0,0]=3 221 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 4148AC [0,1,0,0,0,0|3,0,0]=4 222 B11R1.167 C[C@H](N)C1=C(Cl)C=CC(Cl)=C1 8392AH [0,1,0,0,0,0|2,0,1]=4 223 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 0380AC [0,1,0,0,0,0|2,0,0]=3 224 B11R1.167 N=C(N)C1=CC(Br)=CC=C1F 5799AH [0,1,0,0,0,0|2,0,0]=3 225 B11R1.167 N=C(N)C1=CC(F)=CC=C1F 1401AJ [0,1,0,0,0,0|2,0,0]=3 226 B11R1.167 NC(=O)C1=C(Br)N=CC(Br)=C1 Z1272 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.167 NC(=O)C1=CC(Br)=CN=C1F Z0071 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1Cl Y3868 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.167 NC(=O)C1=CC(Cl)=NN=C1Cl 2606AB [0,1,0,0,0,0|3,0,0]=4 230 B11R1.167 NC(=O)C1=NC(Br)=CC=C1Cl 2973AD [0,1,0,0,0,0|2,0,0]=3 231 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl 0605AA [0,1,0,0,0,0|3,0,0]=4 232 B11R1.167 NC(=O)C1=NC(F)=CN=C1F 4464AB [0,1,0,0,0,0|3,0,0]=4 233 B11R1.167 NC(=S)C1=C(Cl)C=CC(Cl)=C1 8311AE [0,1,0,0,0,0|1,1,0]=3 234 B11R1.167 NC1=C(C(=O)O)C=C(F)C=N1 Z8105 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O X5165 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=N1 Z6498 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 5194AA [0,1,0,0,0,0|3,0,0]=4 238 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 1202AA [0,1,0,0,0,0|3,0,0]=4 239 B11R1.167 O=C(O)C1=C(O)N=CC(F)=C1 4128AC [0,1,0,0,0,0|2,0,0]=3 240 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O 1351AA [0,1,0,0,0,0|2,0,0]=3 241 B11R1.167 O=C(O)C1=CC(F)=CN=C1F 0695AF [0,1,0,0,0,0|3,0,0]=4 242 B11R1.167 O=C(O)C1=NC(O)=CC=C1Br 3831AA [0,1,0,0,0,0|3,0,0]=4 243 B11R1.167 O=C(O)C1=NC(O)=CC=C1F 9014AB [0,1,0,0,0,0|3,0,0]=4 244 B11R1.167 O=[N+]([O-])C1=NC(Cl)=CC=C1O W9175 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.222 CC1=C(C(=O)NN)C=CC=N1 6633AD [0,1,0,0,0,0|2,0,0]=3 246 B11R1.222 CC1=C(C(O)CN)C=CC=C1 5054AH [0,1,0,0,0,0|1,0,2]=4 247 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2680AE [0,1,0,0,0,0|1,0,1]=3 248 B11R1.222 CC1=CC=CC=C1C(=O)C#N S734 [0,1,0,0,0,0|1,0,1]=3 249 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.222 CC1=CC=CC=C1N(C)C=O 8371AL [0,1,0,0,0,0|3,0,0]=4 251 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 9392AH [0,1,0,0,0,0|2,0,0]=3 252 B11R1.222 CCC(=O)C1=CC=CN=C1Cl 5775AA [0,1,0,0,0,0|3,0,0]=4 253 B11R1.222 CCC(=O)C1=NC=CC=C1C V9138 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.222 CCN(N)C1=C(C)C=CC=C1 4838AL [0,1,0,0,0,0|3,0,0]=4 255 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.222 CC[C@H](N)C1=CC=CC=C1Cl W8965 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.222 CNC(=O)C1=CC=CC=C1C 1029AB [0,1,0,0,0,0|1,0,0]=2 258 B11R1.222 CNC(C)C1=CC=CC=C1Cl W6646 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 0980AA [0,1,0,0,0,0|3,0,0]=4 260 B11R1.222 COC(=O)C1=C(C)C=NC=C1 9924AC [0,1,0,0,0,0|3,0,0]=4 261 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 9708AB [0,1,0,0,0,0|3,0,0]=4 262 B11R1.222 COC(=O)C1=C(I)N=CC=C1 V9048 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.222 COC(=O)C1=CC=CN=C1S 9094AE [0,1,0,0,0,0|2,1,0]=4 264 B11R1.222 N=C(NO)C1=CC=CC=C1Cl 9402AJ [0,1,0,0,0,0|2,0,0]=3 265 B11R1.222 NC1=CC=CC=C1C(=O)NO 5665AE [0,1,0,0,0,0|1,0,0]=2 266 B11R1.222 NCC(O)C1=CC=CC=C1F 3587AB [0,1,0,0,0,0|1,0,2]=4 267 B11R1.222 NNC(=O)C1=C(N)C=NC=C1 7290AE [0,1,0,0,0,0|2,0,0]=3 268 B11R1.222 NNC(=O)C1=CC=CN=C1N Y9355 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.222 NNC(=O)C1=NC=CC=C1F 1032AA [0,1,0,0,0,0|2,0,0]=3 270 B11R1.222 O\N=C(/Cl)C1=C(Br)C=CC=C1 9397AJ [0,1,0,0,0,0|2,0,1]=4 271 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [0,0,0,1,0,0|2,0,0]=3 272 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [0,0,0,1,0,0|1,0,1]=3 273 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [0,0,0,1,0,0|2,0,0]=3 274 B11R2.1 ClC1=COC2=CC=CC=C12 9647AB [0,0,0,1,0,0|2,0,0]=3 275 B11R2.1 ClC1=NOC2=C1C=CC=C2 W3544 [0,0,0,1,0,0|1,0,1]=3 276 B11R2.1 NC1=C2C=CC=CN2N=C1 4466AJ [0,0,0,1,0,0|3,0,0]=4 277 B11R2.1 NC1=C2C=CC=CN2N=C1 6489AA [0,0,0,1,0,0|3,0,0]=4 278 B11R2.1 NC1=C2C=CC=CN2N=C1 6617AA [0,0,0,1,0,0|3,0,0]=4 279 B11R2.1 NC1=CN=C2C=CC=CN12 2710AB [0,0,0,1,0,0|3,0,0]=4 280 B11R2.1 NC1=CNC2=C1C=CC=N2 X8537 [0,0,0,1,0,0|3,0,0]=4 281 B11R2.1 NC1=CNC2=NC=CC=C12 W4084 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.1 NC1=CSC2=C1C=CN=C2 Y9682 [0,0,0,1,0,0|2,1,0]=4 283 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,0,0,1,0,0|1,1,0]=3 284 B11R2.1 NC1=CSC2=CC=CN=C12 Y5227 [0,0,0,1,0,0|2,1,0]=4 285 B11R2.1 NC1=NCC2=C1C=CC=C2 V4519 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.1 NC1=NNC2=CC=CN=C21 0374AB [0,0,0,1,0,0|3,0,0]=4 287 B11R2.1 NC1=NNC2=CC=NC=C21 4177AC [0,0,0,1,0,0|3,0,0]=4 288 B11R2.1 NC1=NOC2=NC=CC=C12 SYNMC0920 [0,0,0,1,0,0|2,0,0]=3 289 B11R2.1 NC1=NOC2=NC=CC=C12 V9236 [0,0,0,1,0,0|2,0,0]=3 290 B11R2.1 NC1COC2=CC=CC=C21 1367AJ [0,0,0,1,0,0|1,0,1]=3 291 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,0,0,1,0,0|1,0,1]=3 292 B11R2.1 NN1N=CC2=CC=CC=C21 3874AB [0,0,0,1,0,0|3,0,0]=4 293 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,0,0,1,0,0|1,0,1]=3 294 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [0,0,0,1,0,0|2,0,0]=3 295 B11R2.1 O=C1CCC2=C1C=CN=C2 4302AB [0,0,0,1,0,0|3,0,0]=4 296 B11R2.1 O=C1CCC2=C1C=NC=C2 W6676 [0,0,0,1,0,0|3,0,0]=4 297 B11R2.1 O=C1COC2=C1C=CC=N2 2516AB [0,0,0,1,0,0|2,0,0]=3 298 B11R2.1 O=C1COC2=C1C=CN=C2 1438AA [0,0,0,1,0,0|2,0,0]=3 299 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [0,0,0,1,0,0|2,0,0]=3 300 B11R2.1 O=C1NCC2=C1C=CN=C2 1363AJ [0,0,0,1,0,0|2,0,0]=3 301 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.41 CC(=O)C1=C(N)C=CS1 3514AB [0,0,0,0,1,0|3,0,0]=4 303 B9R1.41 CC(=O)N1C=CC=C1Br 5036AJ [0,0,0,0,1,0|3,0,0]=4 304 B9R1.41 NC(=O)C1=C(Br)SC=C1 9864AA [0,0,0,0,1,0|2,0,0]=3 305 B9R1.41 NC(=O)C1=C(N)ON=C1 6396AC [0,0,0,0,1,0|3,0,0]=4 306 B9R1.41 NC(=O)C1=C(O)NC=N1 Q084 [0,0,0,0,1,0|2,0,0]=3 307 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [0,0,0,0,1,0|3,0,0]=4 308 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,0,0,0,0,1|2,0,0]=3 309 B11R1.86 CC(=O)NC1=C(Br)N=CC=C1 8863AJ [0,0,0,0,0,1|3,0,0]=4 310 B11R1.86 CC(=O)NC1=C(Cl)N=CC=C1 7247AD [0,0,0,0,0,1|3,0,0]=4 311 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 Z3279 [0,0,0,0,0,1|3,0,0]=4 312 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 Z6416 [0,0,0,0,0,1|2,0,0]=3 313 B11R1.86 CC(=O)NC1=CC=CN=C1C Y5364 [0,0,0,0,0,1|3,0,0]=4 314 B11R1.86 CC(=O)NC1=CC=CNC1=O 9389AE [0,0,0,0,0,1|2,0,1]=4 315 B11R1.86 CC(=O)OC1=CC=CC=C1I 0334AE [0,0,0,0,0,1|2,0,0]=3 316 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7575AH [0,0,0,0,0,1|2,0,0]=3 317 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7576AH [0,0,0,0,0,1|2,0,0]=3 318 B11R1.86 CN(C)CC1=C(O)C=CC=C1 8448AD [0,0,0,0,0,1|3,0,0]=4 319 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,0,0,0,0,1|2,0,0]=3 320 B11R1.86 N=C(N)CC1=CC=CC=C1Cl V6572 [0,0,0,0,0,1|2,0,0]=3 321 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 5657AB [0,0,0,0,0,1|2,0,0]=3 322 B11R1.86 NC(=S)NC1=CC=CC=C1Br V6496 [0,0,0,0,0,1|1,1,0]=3 323 B11R1.86 NC1=NC=CC=C1CC(=O)O 0495AA [0,0,0,0,0,1|3,0,0]=4 324 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|0,0,1]=3 326 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|1,0,1]=4 327 B8R1.2 NNC1=CC=NC=C1 0864AQ [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 O=CC1=CN=NC=C1 7044AB [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 O=CC1=NC=CC=N1 Y3220 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 O=CC1=NC=CN=C1 X7048 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.5 CC1=C(N)N=CC=C1 3663AB [2,0,0,0,0,0|2,0,0]=4 332 B8R1.5 CC1=CC=CC=C1O Z3651 [2,0,0,0,0,0|0,0,1]=3 333 B8R1.5 NC1=CC=CN=C1Br 1627AJ [2,0,0,0,0,0|2,0,0]=4 334 B8R1.5 NC1=CC=CN=C1F 1722AJ [2,0,0,0,0,0|2,0,0]=4 335 B8R1.5 NC1=CN=CN=C1O 5791AH [2,0,0,0,0,0|2,0,0]=4 336 B8R1.5 NC1=NC=NC=C1O 7434AB [2,0,0,0,0,0|2,0,0]=4 337 B8R1.5 O=C1OC=CC=C1O W6519 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.5 OC1=C(O)C=NC=C1 Y6808 [2,0,0,0,0,0|1,0,1]=4 339 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [1,1,0,0,0,0|2,0,0]=4 340 B10R1.13 C=C(C)C1=CC=C(O)C=C1 5917AB [1,1,0,0,0,0|2,0,0]=4 341 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [1,1,0,0,0,0|1,0,0]=3 342 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [1,1,0,0,0,0|2,0,0]=4 344 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [1,1,0,0,0,0|1,0,1]=4 345 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [1,1,0,0,0,0|1,0,1]=4 346 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [1,1,0,0,0,0|1,0,0]=3 347 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [1,1,0,0,0,0|1,0,1]=4 349 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 5861AC [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [1,1,0,0,0,0|1,0,1]=4 352 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [1,1,0,0,0,0|1,0,1]=4 353 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [1,1,0,0,0,0|1,0,0]=3 354 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 Z4383 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.13 NC(=O)C1=CN=C(N)C=C1 Z2495 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.13 NC(=O)C1=CN=C(N)C=N1 4750AC [1,1,0,0,0,0|2,0,0]=4 358 B10R1.13 NC(=O)C1=CN=C(O)C=C1 U983 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.13 NC(=O)C1=NC=C(N)C=N1 8288AB [1,1,0,0,0,0|2,0,0]=4 360 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [1,1,0,0,0,0|2,0,0]=4 361 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 3526AJ [1,1,0,0,0,0|1,1,0]=4 362 B10R1.13 NC(=S)C1=CN=C(N)C=C1 7552AB [1,1,0,0,0,0|1,1,0]=4 363 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [1,1,0,0,0,0|2,0,0]=4 364 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7848AF [1,1,0,0,0,0|1,0,0]=3 365 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [1,1,0,0,0,0|2,0,0]=4 366 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [1,1,0,0,0,0|2,0,0]=4 367 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [1,1,0,0,0,0|2,0,0]=4 368 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [1,1,0,0,0,0|1,0,0]=3 369 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,1,0,0,0,0|1,0,1]=4 370 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [1,1,0,0,0,0|1,0,0]=3 373 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,1,0,0,0,0|1,0,1]=4 374 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [1,1,0,0,0,0|1,0,0]=3 375 B10R1.15 NCC(=O)C1=CC=NC=C1 7230AB [1,1,0,0,0,0|1,0,0]=3 376 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [1,1,0,0,0,0|1,0,0]=3 377 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [1,1,0,0,0,0|1,0,1]=4 378 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,1,0,0,0,0|1,0,1]=4 379 B10R1.15 NNC(=O)C1=CC=NC=N1 Y5417 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.15 NNC(=O)C1=NC=CC=N1 1217AF [1,1,0,0,0,0|2,0,0]=4 381 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [1,1,0,0,0,0|2,0,0]=4 382 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [1,1,0,0,0,0|2,0,0]=4 383 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [1,1,0,0,0,0|0,0,0]=2 384 B10R1.15 O\N=C(\Cl)C1=CC=CC=C1 O705 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 5121AF [1,1,0,0,0,0|2,0,0]=4 386 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 X6787 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 3551AC [1,1,0,0,0,0|2,0,0]=4 388 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [1,1,0,0,0,0|2,0,0]=4 389 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [1,1,0,0,0,0|2,0,0]=4 390 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [1,1,0,0,0,0|1,0,0]=3 391 B10R1.113 CC1=CC(C(N)=S)=NC=C1 5196AD [1,1,0,0,0,0|1,1,0]=4 392 B10R1.113 CC1=CC(N(C)N)=CC=C1 4897AL [1,1,0,0,0,0|2,0,0]=4 393 B10R1.113 CC1=NC(C(N)=O)=NC=C1 6042AA [1,1,0,0,0,0|2,0,0]=4 394 B10R1.113 C[C@@H](N)C1=CC(O)=CC=C1 4775AE [1,1,0,0,0,0|1,0,1]=4 395 B10R1.113 C[C@@H](N)C1=CC=CC(N)=C1 1207AL [1,1,0,0,0,0|1,0,1]=4 396 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [1,1,0,0,0,0|1,0,0]=3 398 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 Y6539 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 2211AJ [1,1,0,0,0,0|1,0,0]=3 400 B10R1.113 NC(=O)C1=CN=CC(F)=C1 V7403 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.113 NC(=O)C1=NC(N)=CC=C1 3423AJ [1,1,0,0,0,0|1,0,0]=3 402 B10R1.113 NC(=S)C1=CC(N)=NC=C1 4163AC [1,1,0,0,0,0|1,1,0]=4 403 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [1,1,0,0,0,0|0,1,0]=3 404 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [1,1,0,0,0,0|1,0,0]=3 405 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 J70037 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.113 O=C(O)C1=NC(I)=CC=C1 5470AE [1,1,0,0,0,0|2,0,0]=4 408 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [1,1,0,0,0,0|2,0,0]=4 410 B10R1.113 O=S([O-])C1=CC=CC(Br)=C1 V8824 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.2 C(=O)C1=CNC=C(Br)C1=O KMA0002 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.2 C(=O)C1=CNC=C(C)C1=O KMA0019 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.2 C(=O)C1=CNC=C(Cl)C1=O KMA0018 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.2 C(=O)C1=CNC=C(F)C1=O KMA0003 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.2 CC1=C(C=O)C=CN=C1Cl 2370AC [1,1,0,0,0,0|2,0,0]=4 416 B10R1.2 CC1=C(C=O)C=NC=C1Br Z0536 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.2 CC1=C(Cl)C=CC=C1NN 7451AE [1,1,0,0,0,0|2,0,0]=4 418 B10R1.2 CC1=C(F)C=CC=C1NN 8273AC [1,1,0,0,0,0|2,0,0]=4 419 B10R1.2 CC1=C(O)C(CN)=CC=C1 5527AB [1,1,0,0,0,0|0,0,1]=3 420 B10R1.2 CC1=NC=CC(C=O)=C1C Y4384 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.2 COC1=C(O)C(I)=CC=C1 2096AA [1,1,0,0,0,0|2,0,0]=4 422 B10R1.2 COC1=C(O)C(N)=CC=C1 Z4718 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.2 NC1=C(C=O)C=CN=C1Cl 5455AA [1,1,0,0,0,0|2,0,0]=4 424 B10R1.2 NCC1=CC=CC(Br)=C1F X9219 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.2 NNC1=C(F)C(Cl)=CC=C1 5196AB [1,1,0,0,0,0|2,0,0]=4 426 B10R1.2 O=CC1=C(Cl)C(Br)=NC=C1 Y3876 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|1,0,1]=4 428 B10R1.4 N#CCC1=C(O)C=CC=C1 7309AA [1,1,0,0,0,0|0,0,2]=4 429 B10R1.4 NCCC1=CC=CC=C1O Z4391 [1,1,0,0,0,0|0,0,1]=3 430 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [1,1,0,0,0,0|1,0,1]=4 431 B10R1.4 NOCC1=CC=CC=C1F 7325AD [1,1,0,0,0,0|1,0,1]=4 432 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|1,0,1]=4 433 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [1,1,0,0,0,0|1,0,0]=3 434 B10R1.4 ONCC1=CC=CC=C1F Z3766 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.4 O\N=C\C1=C(F)C=CC=C1 6229AB [1,1,0,0,0,0|1,0,1]=4 436 B10R1.4 O\N=C\C1=CC=CC=C1Br 2021AL [1,1,0,0,0,0|1,0,1]=4 437 B10R1.4 O\N=C\C1=CC=CC=C1Cl 1838AE [1,1,0,0,0,0|1,0,1]=4 438 B10R1.20 CCC1=CC=CC=C1NN 6499AD [1,1,0,0,0,0|2,0,0]=4 439 B10R1.20 CNC1=C(C=O)C=CC=C1 2162AC [1,1,0,0,0,0|1,0,0]=3 440 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [1,1,0,0,0,0|2,0,0]=4 441 B10R1.20 COC1=C(CN)C=CC=N1 2549AA [1,1,0,0,0,0|1,0,1]=4 442 B10R1.20 COC1=CC=CN=C1CN 8861AB [1,1,0,0,0,0|1,0,1]=4 443 B10R1.20 COC1=CC=NC=C1C=O O038 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.20 N#CC1=C(C=O)C=CC=N1 5885AA [1,1,0,0,0,0|2,0,0]=4 445 B10R1.20 N#CC1=C(C=O)C=CN=C1 1345AA [1,1,0,0,0,0|2,0,0]=4 446 B10R1.20 N#CC1=C(NN)C=CC=C1 9707AB [1,1,0,0,0,0|2,0,0]=4 447 B10R1.20 O=CC1=C(CCl)C=CC=C1 1257AJ [1,1,0,0,0,0|1,0,0]=3 448 B10R1.20 OCC1=C(CBr)C=CC=C1 1625AC [1,1,0,0,0,0|1,0,1]=4 449 B10R1.25 C(=O)C1=CNC(C)=CC1=O KMA0017 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.25 C=CC1=CC=C(F)C=C1F 5271AB [1,1,0,0,0,0|2,0,0]=4 451 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [1,1,0,0,0,0|2,0,0]=4 452 B10R1.25 CC1=C(C=O)C=NC(Br)=C1 5663AC [1,1,0,0,0,0|2,0,0]=4 453 B10R1.25 CC1=C(CN)C=CC(F)=C1 2721AL [1,1,0,0,0,0|1,0,1]=4 454 B10R1.25 CC1=CC(Br)=NC=C1C=O Z0096 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.25 CC1=CC(F)=C(NN)C=C1 6959AB [1,1,0,0,0,0|2,0,0]=4 456 B10R1.25 CC1=CC=C(NN)C(C)=C1 1053AL [1,1,0,0,0,0|2,0,0]=4 457 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 Y4636 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.25 CC1=CC=C(NN)C(F)=C1 8500AH [1,1,0,0,0,0|2,0,0]=4 459 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.25 NC1=CC=C(C=O)C(Br)=C1 X5129 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.25 NCC1=C(O)C=C(O)C=C1 9679AB [1,1,0,0,0,0|0,0,1]=3 464 B10R1.25 NCC1=CC=C(Br)C=C1Cl 8748AH [1,1,0,0,0,0|1,0,1]=4 465 B10R1.25 NCC1=CC=C(Br)C=C1O 1235AJ [1,1,0,0,0,0|0,0,1]=3 466 B10R1.25 NCC1=CC=C(Cl)C=C1F C294 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.25 NNC1=CC=C(I)C=C1Cl Z3996 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 Z3894 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.25 O=CC1=CC=C(Br)C=C1I 2692AJ [1,1,0,0,0,0|1,0,0]=3 470 B10R1.25 O=CC1=CC=C(Br)N=C1Br Z0686 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.25 O=CC1=CN=C(Br)C=C1Br 3733AA [1,1,0,0,0,0|2,0,0]=4 472 B10R1.25 O=CC1=CN=C(Cl)C=C1Br 1353AA [1,1,0,0,0,0|2,0,0]=4 473 B10R1.25 O=CC1=CN=C(F)C=C1Cl 4845AA [1,1,0,0,0,0|2,0,0]=4 474 B10R1.25 O=CC1=NC=C(Br)C=C1Br 4900AC [1,1,0,0,0,0|2,0,0]=4 475 B10R1.25 O=CC1=NC=C(Cl)C=C1Br Y3906 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl W6408 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 X2719 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.30 CC1=C(C=O)C=C(O)C=C1 J92794 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.30 CC1=C(C=O)N=C(Cl)C=C1 1066AD [1,1,0,0,0,0|2,0,0]=4 480 B10R1.30 CC1=CC(C=O)=C(N)N=C1 Z3812 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.30 CC1=CC=C(I)C=C1C=O Z0762 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.30 CC1=CC=C(O)C=C1C=O Z0411 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.30 CC1=CN=C(F)C(C=O)=C1 Y3740 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.30 CC1=CNC(=O)C(C=O)=C1 4343AA [1,1,0,0,0,0|1,0,1]=4 485 B10R1.30 NC1=C(C=O)C=C(F)C=C1 7284AA [1,1,0,0,0,0|1,0,0]=3 486 B10R1.30 NC1=C(C=O)C=C(I)C=N1 8537AB [1,1,0,0,0,0|2,0,0]=4 487 B10R1.30 NC1=CC=C(Br)C(C=O)=N1 4362AA [1,1,0,0,0,0|2,0,0]=4 488 B10R1.30 NC1=NC=C(Br)C=C1C=O 7045AD [1,1,0,0,0,0|2,0,0]=4 489 B10R1.30 NCC1=C(O)C=CC(N)=C1 2407AC [1,1,0,0,0,0|0,0,1]=3 490 B10R1.30 NCC1=CC(Br)=CC=C1N 2042AC [1,1,0,0,0,0|1,0,1]=4 491 B10R1.30 NCC1=CC(Br)=CC=C1O W7148 [1,1,0,0,0,0|0,0,1]=3 492 B10R1.30 NCC1=CC(F)=CC=C1N 1791AL [1,1,0,0,0,0|1,0,1]=4 493 B10R1.30 NNC1=C(F)C=CC(Br)=C1 8827AH [1,1,0,0,0,0|2,0,0]=4 494 B10R1.30 O=CC1=C(Br)N=CC(Br)=C1 Z0892 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.30 O=CC1=C(Cl)N=CC(Cl)=C1 W9918 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.30 O=CC1=CC(Br)=NC=C1Br Y4856 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.30 O=CC1=CC(Cl)=NC=C1Br Z6834 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.245 C=CC1=C(F)C=CC=C1F 0610AB [1,1,0,0,0,0|2,0,0]=4 499 B10R1.245 CC1=C(C=O)C(Cl)=NC=C1 4138AC [1,1,0,0,0,0|2,0,0]=4 500 B10R1.245 CC1=C(C=O)C(F)=NC=C1 9122AB [1,1,0,0,0,0|2,0,0]=4 501 B10R1.245 COC1=C(F)C=CC=C1O Z1209 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.245 COC1=C(O)C=CC=C1O V4096 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.245 CSC1=C(Cl)C=CC=C1O Z0579 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.245 NC1=CC=CC(F)=C1C=O 4704AD [1,1,0,0,0,0|1,0,0]=3 505 B10R1.245 O=CC1=C(Br)C=CN=C1Cl Z0013 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.245 O=CC1=C(I)C=CNC1=O X5164 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.245 O=CC1=C(O)C=CC=C1O 5013AB [1,1,0,0,0,0|0,0,0]=2 508 B10R1.245 O=CC1=C(O)N=CN=C1O Q631 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.39 COC1=CSC=C1C(N)=O Y9743 [0,1,0,0,1,0|1,0,0]=3 510 B10R1.149 CC1=C(C(=O)NN)SC=C1 1206AE [0,1,0,0,1,0|2,0,0]=4 511 B10R1.149 CNC(=O)C1=C(N)C=CS1 4490AD [0,1,0,0,1,0|2,0,0]=4 512 B12R1.75 C=C(C)CC1=C(OC)C=CC=C1 3235AF [0,1,0,0,0,1|2,0,0]=4 513 B12R1.75 CC(=O)NC1=C(CO)C=CC=C1 5403AJ [0,1,0,0,0,1|1,0,0]=3 514 B12R1.75 CC(=O)NC1=CC=CC=C1C#N 3623AL [0,1,0,0,0,1|2,0,0]=4 515 B12R1.75 CC(=O)NC1=CC=CC=C1C=O 6256AA [0,1,0,0,0,1|1,0,1]=4 516 B12R1.75 CC(=O)OC1=C(C#N)C=CC=C1 5483AL [0,1,0,0,0,1|2,0,0]=4 517 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 3093AH [0,1,0,0,0,1|0,0,0]=2 518 B12R1.75 COC1=NC=CC=C1NC(C)=O 7169AB [0,1,0,0,0,1|2,0,0]=4 519 B12R1.124 CC(=O)N(N)C1=CC=CC=C1Br B233 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.124 NC1=C(C(=O)C(=O)O)C=CC=C1 6619AB [0,1,0,0,0,1|2,0,0]=4 521 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 5191AB [0,1,0,0,0,1|2,0,0]=4 522 B12R1.124 N[C@H](C(=O)O)C1=C(Br)C=CC=C1 1082AL [0,1,0,0,0,1|2,0,0]=4 523 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 2424AC [0,1,0,0,0,1|2,0,0]=4 524 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 3616AL [0,1,0,0,0,1|2,0,0]=4 525 B12R1.127 CC(=O)NC1=C(C)C=CC(Cl)=C1 8771AB [0,1,0,0,0,1|2,0,0]=4 526 B12R1.127 CC(=O)NC1=C(F)C=CC(N)=C1 9177AE [0,1,0,0,0,1|2,0,0]=4 527 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl 5977AE [0,1,0,0,0,1|2,0,0]=4 528 B12R1.127 CC(=O)OC1=CC(C)=CC=C1C 1388AF [0,1,0,0,0,1|2,0,0]=4 529 B12R1.127 CC1=CC=C(F)C=C1NC(N)=S 5410AD [0,1,0,0,0,1|1,1,0]=4 530 B12R1.224 CC(=O)NC1=C(C)C(F)=CC=C1 0179AE [0,1,0,0,0,1|2,0,0]=4 531 B12R1.224 CC(=O)NC1=C(C)C(N)=CC=C1 7571AE [0,1,0,0,0,1|2,0,0]=4 532 B12R1.233 CC(=O)CC1=CC=C(Cl)C=C1Br 5576AA [0,1,0,0,0,1|2,0,0]=4 533 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 5009AH [0,1,0,0,0,1|2,0,0]=4 534 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 7569AB [0,1,0,0,0,1|2,0,0]=4 535 B12R1.371 CC1=CC=CC=C1NC(=O)CN 8084AC [0,1,0,0,0,1|1,0,0]=3 536 B12R1.371 CCC(=O)NC1=CC=CC=C1O 8315AE [0,1,0,0,0,1|1,0,0]=3 537 B12R1.371 COC(=O)CC1=CC=CC=C1N 4195AJ [0,1,0,0,0,1|2,0,0]=4 538 B12R1.371 NNC(=O)NC1=CC=CC=C1Cl 1456AE [0,1,0,0,0,1|1,0,0]=3 539 B12R1.1009 CC(=O)NC1=C(F)C=CC=C1Cl 0957AE [0,1,0,0,0,1|2,0,0]=4 540 B12R1.1009 N=C(N)CC1=C(Cl)C=CC=C1Cl 5805AD [0,1,0,0,0,1|2,0,0]=4 541 B12R1.1009 NC1=CC=CC(F)=C1CC(=O)O 1714AL [0,1,0,0,0,1|2,0,0]=4 542 B12R1.46 CNC1=CC=C(C)C=C1C(=O)O 2943AL [0,2,0,0,0,0|2,0,0]=4 543 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 Z8659 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.46 COC1=C(C(N)=O)C=C(Br)C=C1 9561AD [0,2,0,0,0,0|0,0,0]=2 545 B12R1.46 COC1=CC=C(Cl)C=C1C(=N)N 5285AD [0,2,0,0,0,0|1,0,0]=3 546 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O 4838AA [0,2,0,0,0,0|2,0,0]=4 547 B12R1.46 CSC1=CC=C(F)C=C1C(=O)O Y3969 [0,2,0,0,0,0|1,1,0]=4 548 B12R1.46 N#CC1=CC=C(F)C=C1C(=O)O 7258AB [0,2,0,0,0,0|2,0,0]=4 549 B12R1.46 N#CC1=CC=C(I)C=C1C(=O)O 9673AA [0,2,0,0,0,0|2,0,0]=4 550 B12R1.46 O=[N+]([O-])C1=C(CO)C=CC(O)=C1 0172AP [0,2,0,0,0,0|2,0,0]=4 551 B12R1.46 O=[N+]([O-])C1=CC(F)=CC=C1CO X6521 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 1358AA [0,2,0,0,0,0|2,0,0]=4 553 B12R1.57 COC1=CC(Cl)=NC=C1C(N)=O 3651AD [0,2,0,0,0,0|1,0,0]=3 554 B12R1.57 COC1=CC(F)=CC=C1C(N)=O 3860AC [0,2,0,0,0,0|0,0,0]=2 555 B12R1.57 COC1=CC(O)=CC=C1C(=O)O X8080 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.57 COC1=NC(C)=CC=C1C(=O)O 8851AE [0,2,0,0,0,0|2,0,0]=4 557 B12R1.57 NC1=CC(CO)=C([N+](=O)[O-])C=C1 2097AC [0,2,0,0,0,0|2,0,0]=4 558 B12R1.57 O=[N+]([O-])C1=C(CO)C=C(F)C=C1 V0285 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.76 NCC1=C(S(N)(=O)=O)C=CC=C1 0077AP [0,2,0,0,0,0|2,0,0]=4 560 B12R1.76 NNC1=C(S(N)(=O)=O)C=CC=C1 1732AJ [0,2,0,0,0,0|2,0,0]=4 561 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC W7435 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 5643AB [0,2,0,0,0,0|1,0,0]=3 563 B12R1.77 COC(=O)C1=CC=NC=C1OC 8906AB [0,2,0,0,0,0|2,0,0]=4 564 B12R1.77 COC1=C(C(=O)NN)C=CC=N1 2420AF [0,2,0,0,0,0|1,0,0]=3 565 B12R1.77 COC1=CC=CC=C1C(=O)C=O 9051AD [0,2,0,0,0,0|1,0,0]=3 566 B12R1.77 COC1=CC=CC=C1C(N)C#N W7577 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.77 COC1=CC=CC=C1\C(Cl)=N\O 1566AC [0,2,0,0,0,0|1,0,1]=4 568 B12R1.77 N#CC1=C(C(=O)NN)C=CC=C1 0164AB [0,2,0,0,0,0|1,0,0]=3 569 B12R1.87 N#CC1=C(F)C=CC=C1C(=O)O 1174AD [0,2,0,0,0,0|2,0,0]=4 570 B12R1.87 O=[N+]([O-])C1=C(CO)C(F)=CC=C1 8350AA [0,2,0,0,0,0|2,0,0]=4 571 B12R1.261 CN(C)C1=CC=CC=C1C(N)=O 8190AB [0,2,0,0,0,0|1,0,0]=3 572 B12R1.261 CS(=O)C1=CC=CC=C1B(O)O X2393 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O 6435AD [0,2,0,0,0,0|1,0,1]=4 574 B12R1.261 NC(=O)C1=C(B(O)O)C=CC=N1 Y2284 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.261 NC(=O)C1=C(C(=O)O)N=CC=C1 6012AL [0,2,0,0,0,0|1,0,0]=3 576 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 2025AL [0,2,0,0,0,0|1,0,0]=3 577 B12R1.261 O=C(O)C1=C(B(O)O)C=NC=C1 Z7029 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.283 C=CCC1=CC=CC=C1C(=O)O 6704AE [0,2,0,0,0,0|2,0,0]=4 579 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 6518AE [0,2,0,0,0,0|1,0,1]=4 580 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 9071AC [0,2,0,0,0,0|1,0,1]=4 581 B12R1.283 CNCC1=C(C(=O)O)C=CC=C1 4977AE [0,2,0,0,0,0|2,0,0]=4 582 B12R1.283 N#CCC1=CC=CC=C1C(=O)O Y9765 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.283 NCCC1=CC=CC=C1C(=O)O 0689AA [0,2,0,0,0,0|2,0,0]=4 584 B12R1.283 O=CNC1=CC=CC=C1C(=O)O 0547AE [0,2,0,0,0,0|1,0,1]=4 585 B12R1.437 COC1=C(C(=O)O)C(=O)NC=C1 2859AJ [0,2,0,0,0,0|2,0,0]=4 586 B12R1.437 COC1=C(C(=O)O)C(I)=CC=C1 0167AC [0,2,0,0,0,0|1,0,0]=3 587 B12R1.437 COC1=C(C(C)=O)C(Br)=CC=C1 X3640 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.437 COC1=C(C(N)=O)C(Cl)=CC=C1 1565AA [0,2,0,0,0,0|0,0,0]=2 589 B12R1.437 COC1=CN=CC(N)=C1C(=O)O V7889 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.437 N#CC1=CC=CC(F)=C1C(=O)O 4566AC [0,2,0,0,0,0|2,0,0]=4 591 B12R1.437 O=[N+]([O-])C1=C(F)C=CC=C1CO 2275AJ [0,2,0,0,0,0|2,0,0]=4 592 B12R1.126 CS(=O)(=O)C1=CC=C(Br)C=C1O V3220 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.128 CC1=CC(S(N)(=O)=O)=C(N)C=C1 9112AB [0,2,0,0,0,0|2,0,0]=4 594 B12R1.128 CC1=CC=C(Br)C=C1S(N)(=O)=O V6679 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.195 CNS(=O)(=O)C1=C(Cl)C=CC=C1 8887AA [0,2,0,0,0,0|2,0,0]=4 596 B12R1.894 CC1=C(Br)C(C(=O)O)=C(F)C=C1 V2519 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.894 CC1=C(Br)C(C(=O)O)=C(N)C=C1 7311AA [0,2,0,0,0,0|2,0,0]=4 598 B12R1.894 CC1=C(C(=O)O)C(N)=CC=C1Br 3416AJ [0,2,0,0,0,0|2,0,0]=4 599 B12R1.894 CC1=C(Cl)C(C(=O)O)=C(Cl)C=C1 Z0713 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.894 CC1=C(F)C(C(N)=O)=C(F)C=C1 8670AD [0,2,0,0,0,0|1,0,0]=3 601 B12R1.894 CC1=C(N)C(C(=O)O)=C(C)C=C1 Y7645 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.894 CC1=C(N)C(C(=O)O)=C(Cl)C=C1 5456AJ [0,2,0,0,0,0|2,0,0]=4 603 B12R1.894 CC1=C(N)C(C(=O)O)=C(F)C=C1 5457AJ [0,2,0,0,0,0|2,0,0]=4 604 B12R1.894 CC1=C(O)C([N+](=O)[O-])=C(C)C=C1 1116AC [0,2,0,0,0,0|2,0,0]=4 605 B12R1.894 NC1=C(C(=O)O)C(Br)=C(F)C=C1 3408AJ [0,2,0,0,0,0|2,0,0]=4 606 B12R1.894 NC1=C(C(=O)O)C(Cl)=CC=C1F 1533AJ [0,2,0,0,0,0|2,0,0]=4 607 B12R1.894 NC1=C(C(=O)O)C(F)=C(F)C=C1 X6998 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.894 NC1=C(C(=O)O)C(F)=CC=C1Cl 1491AJ [0,2,0,0,0,0|2,0,0]=4 609 B12R1.894 NC1=C(C(=O)O)C(F)=CC=C1F 1485AJ [0,2,0,0,0,0|2,0,0]=4 610 B12R1.894 NC1=CC=C(Cl)C(Cl)=C1C(=O)O 0634AB [0,2,0,0,0,0|2,0,0]=4 611 B12R1.894 O=C(O)C1=C(Br)C=CC(Br)=C1F Y3834 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.894 O=C(O)C1=C(Br)C=CC(Cl)=C1F Z1579 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.894 O=C(O)C1=C(Br)C=CC(I)=C1F Z0384 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.894 O=C(O)C1=C(Cl)C=CC(Cl)=C1O A622 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.894 O=C(O)C1=C(F)C=CC(F)=C1Br Z1779 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.894 O=[N+]([O-])C1=C(F)C=CC(Br)=C1O 3792AC [0,2,0,0,0,0|2,0,0]=4 617 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1O 8146AA [0,2,0,0,0,0|1,0,0]=3 618 B12R1.1000 CC(=O)C1=C(O)C=C(C)C=C1O V1897 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.1000 CC1=C(C(=O)O)C(Cl)=CC(Br)=C1 Z0970 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.1000 CC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 7482AE [0,2,0,0,0,0|2,0,0]=4 621 B12R1.1000 CC1=C(C(N)=O)C(Cl)=CC(Cl)=C1 9176AA [0,2,0,0,0,0|1,0,0]=3 622 B12R1.1000 CC1=CC(C)=NC(Cl)=C1C(N)=O 6824AA [0,2,0,0,0,0|2,0,0]=4 623 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 Z1217 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.1000 CC1=CC(N)=C(C(=O)O)C(C)=C1 1500AJ [0,2,0,0,0,0|2,0,0]=4 625 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 5059AH [0,2,0,0,0,0|1,0,0]=3 626 B12R1.1000 NC1=CC(Br)=CC(Br)=C1C(=O)O Z5150 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.1000 O=C(O)C1=C(Br)C=C(F)C=C1Br 9899AL [0,2,0,0,0,0|2,0,0]=4 628 B12R1.1000 O=C(O)C1=C(Cl)C=C(F)C=C1Cl 1528AB [0,2,0,0,0,0|2,0,0]=4 629 B12R1.1000 O=C(O)C1=C(Cl)C=C(I)C=C1Cl 3258AD [0,2,0,0,0,0|2,0,0]=4 630 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1N W6190 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.3441 COC(=O)C1=C(I)C=CC=C1C 3528AL [0,2,0,0,0,0|2,0,0]=4 632 B12R1.3441 COC(=O)C1=C(O)C=CC=C1N 9834AB [0,2,0,0,0,0|1,0,0]=3 633 B12R1.3441 C\C(=N/O)C1=C(O)C=CC=C1O V4466 [0,2,0,0,0,0|1,0,1]=4 634 B12R1.24 CC1=C(C(=O)NN)C=CC=C1Br 8491AC [0,2,0,0,0,0|1,0,0]=3 635 B12R1.24 CC1=C(O)C(C(=O)CCl)=CC=C1 5500AJ [0,2,0,0,0,0|1,0,0]=3 636 B12R1.24 CCC(=O)C1=CC=CC(Br)=C1F 5058AA [0,2,0,0,0,0|2,0,0]=4 637 B12R1.24 CNC(=O)C1=CC=CC(C)=C1N 3743AC [0,2,0,0,0,0|1,0,0]=3 638 B12R1.24 COC(=O)C1=C(Cl)C(O)=CC=C1 2195AA [0,2,0,0,0,0|2,0,0]=4 639 B12R1.440 COC1=C(C)C(C(N)=O)=CC=C1 6316AA [0,2,0,0,0,0|1,0,0]=3 640 B12R1.440 COC1=CC=CC(C(=O)O)=C1I 6985AB [0,2,0,0,0,0|2,0,0]=4 641 B12R1.440 N#CC1=C(F)C(C(=O)O)=CC=C1 Z1998 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.440 O=C(O)C1=C(Cl)C(CBr)=CC=C1 KMA0056 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.440 O=C(O)C1=CC=CC(CF)=C1Cl 5453AC [0,2,0,0,0,0|2,0,0]=4 644 B12R1.440 O=CC1=CC=CC([N+](=O)[O-])=C1O B447 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.511 CC(=O)C1=CC(Br)=CC(N)=C1O 1006AC [0,2,0,0,0,0|1,0,0]=3 646 B12R1.511 CC1=C(Br)C=C(Br)C=C1C(=O)O X6554 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.511 CC1=C(F)C(C(=O)O)=CC(F)=C1 0177AA [0,2,0,0,0,0|2,0,0]=4 648 B12R1.511 CC1=C(N)C=C(Br)C=C1C(=O)O X6550 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.511 CC1=CC(Cl)=CC([N+](=O)[O-])=C1O 9225AA [0,2,0,0,0,0|2,0,0]=4 650 B12R1.511 CC1=CC(I)=C(O)C([N+](=O)[O-])=C1 8279AE [0,2,0,0,0,0|2,0,0]=4 651 B12R1.511 CC1=CC(N)=CC(C(=O)O)=C1O 6961AE [0,2,0,0,0,0|1,0,0]=3 652 B12R1.511 CC1=CC([N+](=O)[O-])=C(O)C(C)=C1 W3152 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.511 NC(=O)C1=C(N)C(Cl)=NC(Cl)=C1 2124AJ [0,2,0,0,0,0|2,0,0]=4 654 B12R1.511 NC1=C(Br)C(C(=O)O)=CC(F)=C1 6184AA [0,2,0,0,0,0|2,0,0]=4 655 B12R1.511 NC1=C(F)C(C(=O)O)=CC(Br)=C1 Z9735 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.511 NC1=C(F)C=C(Br)C=C1C(=O)O 1251AF [0,2,0,0,0,0|2,0,0]=4 657 B12R1.511 NC1=C(N)C(C(=O)O)=CC(F)=C1 1341AJ [0,2,0,0,0,0|2,0,0]=4 658 B12R1.511 NC1=CC(Cl)=CC([N+](=O)[O-])=C1O 9388AJ [0,2,0,0,0,0|2,0,0]=4 659 B12R1.511 O=C(O)C1=C(O)C(Cl)=NC(Cl)=C1 Z4329 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.511 O=C(O)C1=CC(Br)=CC(Br)=C1Cl 2484AB [0,2,0,0,0,0|2,0,0]=4 661 B12R1.511 O=[N+]([O-])C1=CC(F)=CC(Cl)=C1O 6052AE [0,2,0,0,0,0|2,0,0]=4 662 B12R1.893 CC(=O)C1=CC=C(O)C(C)=C1C 7691AB [0,2,0,0,0,0|2,0,0]=4 663 B12R1.893 CC1=C(Br)C(N)=C(C(=O)O)C=C1 3541AB [0,2,0,0,0,0|2,0,0]=4 664 B12R1.893 CC1=C(F)C(C(=O)O)=CC=C1N 2623AJ [0,2,0,0,0,0|2,0,0]=4 665 B12R1.893 N=C(N)C1=CC=C(F)C(F)=C1F 1339AJ [0,2,0,0,0,0|2,0,0]=4 666 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1F 1503AJ [0,2,0,0,0,0|2,0,0]=4 667 B12R1.893 O=C(O)C1=CC=C(F)C(O)=C1F X4333 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.893 O=C(O)C1=CC=C(O)C(F)=C1F R194 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.232 CC1=C(C)C=C([N+](=O)[O-])C(O)=C1 6067AD [0,2,0,0,0,0|2,0,0]=4 670 B12R1.232 CC1=C(I)C=C(C(=O)O)C(O)=C1 Z1826 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.232 CC1=CC(C)=C(C)C=C1C(=O)O P326 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.232 CC1=CC(C)=C(I)C=C1C(=O)O 1531AC [0,2,0,0,0,0|2,0,0]=4 673 B12R1.232 CC1=CC(O)=C(C)C=C1C(=O)O 6178AJ [0,2,0,0,0,0|2,0,0]=4 674 B12R1.232 N=C(N)C1=CC(F)=C(F)C=C1F 4912AH [0,2,0,0,0,0|2,0,0]=4 675 B12R1.232 NC(=O)C1=CC(Cl)=C(Cl)N=C1Cl 6947AA [0,2,0,0,0,0|2,0,0]=4 676 B12R1.232 NC1=C(Cl)C=C(O)C(C(=O)O)=C1 V1240 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.232 NC1=CC([N+](=O)[O-])=C(O)C=C1O 4103AC [0,2,0,0,0,0|2,0,0]=4 678 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1O 8358AA [0,2,0,0,0,0|1,0,0]=3 679 B12R1.232 O=C(O)C1=CC(O)=C(Br)C=C1Br W3127 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.452 CC(=O)C1=CC=C(C#N)C=C1C 5552AH [0,2,0,0,0,0|2,0,0]=4 681 B12R1.452 CNC1=CC=C(C(=O)O)C(O)=C1 0735AC [0,2,0,0,0,0|1,0,0]=3 682 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 R458 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.452 COC1=CC=C(C(N)=O)C(N)=C1 4987AB [0,2,0,0,0,0|1,0,0]=3 684 B12R1.452 N#CC1=CC=C(C(=O)O)C(I)=C1 4996AA [0,2,0,0,0,0|2,0,0]=4 685 B12R1.452 O=C(O)C1=CC=C(CO)C=C1F Y8250 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.1703 CC1=C(\C(N)=N/O)C=CC(Cl)=C1 2698AL [0,2,0,0,0,0|1,0,1]=4 687 B12R1.1703 CCC(=O)C1=C(F)C=C(F)C=C1 L067 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.1703 CCC(=O)C1=CC=C(Cl)C=C1O 8970AC [0,2,0,0,0,0|1,0,0]=3 689 B12R1.1703 CNC(=O)C1=NC=C(Br)C=C1C Y3870 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 6069AB [0,2,0,0,0,0|2,0,0]=4 691 B12R1.1703 COC(=O)C1=CC=C(I)C=C1C 0826AA [0,2,0,0,0,0|2,0,0]=4 692 B12R1.1703 COC(=O)C1=CC=C(I)C=C1Cl 4922AD [0,2,0,0,0,0|2,0,0]=4 693 B12R1.1703 C\C(=N/O)C1=C(O)C=C(O)C=C1 9189AB [0,2,0,0,0,0|1,0,1]=4 694 B12R1.1703 NCC(=O)C1=CC=C(Cl)C=C1Cl L157 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.1703 NCC(=O)C1=CC=C(F)C=C1F 2319AC [0,2,0,0,0,0|1,0,0]=3 696 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O 7557AE [0,2,0,0,0,0|0,0,0]=2 697 B12R1.1703 N\C(=N/O)C1=C(Cl)C=C(Cl)C=C1 1246AB [0,2,0,0,0,0|1,0,1]=4 698 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 5007AH [0,2,0,0,0,0|1,0,0]=3 699 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1F Z6528 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.1703 O=C(CCl)C1=CC=C(F)C=C1O 5512AJ [0,2,0,0,0,0|1,0,0]=3 701 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O 8362AD [0,2,0,0,0,0|1,0,0]=3 702 B12R1.1703 O=C(NO)C1=C(O)C=C(Br)C=C1 6761AE [0,2,0,0,0,0|0,0,0]=2 703 B12R1.354 CCC(=O)C1=CC(Br)=CC=C1F V8204 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.354 CCC(=O)C1=CC(Cl)=CC=C1Br 5004AA [0,2,0,0,0,0|2,0,0]=4 705 B12R1.354 COC(=O)C1=C(O)N=CC(C)=C1 7804AE [0,2,0,0,0,0|2,0,0]=4 706 B12R1.354 COC(=O)C1=CC(N)=CC=C1I Z6900 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.354 NNC(=O)C1=C(Br)C=CC(Cl)=C1 7627AC [0,2,0,0,0,0|1,0,0]=3 708 B12R1.354 NNC(=O)C1=C(Cl)C=CC(Br)=C1 3710AD [0,2,0,0,0,0|1,0,0]=3 709 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 2457AE [0,2,0,0,0,0|0,0,0]=2 710 B12R1.354 NNC(=O)C1=CC(Cl)=CC=C1O C081 [0,2,0,0,0,0|0,0,0]=2 711 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O 4972AD [0,2,0,0,0,0|0,0,0]=2 712 B12R1.453 CC1=C(C(=O)O)C=C(CN)C=C1 2975AJ [0,2,0,0,0,0|2,0,0]=4 713 B12R1.453 COC1=CC=C(I)C(C(N)=O)=C1 2240AA [0,2,0,0,0,0|1,0,0]=3 714 B12R1.453 COC1=CC=C(N)C(C(C)=O)=C1 9390AH [0,2,0,0,0,0|2,0,0]=4 715 B12R1.453 N#CC1=CC(C(=O)O)=C(N)C=C1 6998AC [0,2,0,0,0,0|2,0,0]=4 716 B12R1.453 N#CC1=CC=C(Br)C(C(=O)O)=C1 X8037 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.453 N#CC1=CC=C(I)C(C(=O)O)=C1 1122AB [0,2,0,0,0,0|2,0,0]=4 718 B12R1.453 N#CC1=CC=C(N)C(C(N)=O)=C1 Z1990 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 5569AL [0,2,0,0,0,0|2,0,0]=4 720 B12R1.308 CC1=CC=CC=C1C(=O)N=C=S 9070AD [0,2,0,0,0,0|1,0,1]=4 721 B12R1.308 CCOC(=O)C1=CN=CC=C1O V6744 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.308 N#CCC(=O)C1=CC=CC=C1I 5072AH [0,2,0,0,0,0|1,0,1]=4 723 B12R1.308 O=C(\C=N\O)C1=CC=CC=C1Br 9207AJ [0,2,0,0,0,0|1,0,1]=4 724 B12R1.308 O=C=NC(=O)C1=CC=CC=C1Cl S805 [0,2,0,0,0,0|1,0,1]=4 725 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,0,1,1,0,0|1,0,1]=4 726 B10R1.31 O=CC1=CC(C(=O)O)=CO1 8998AB [0,0,1,1,0,0|2,0,0]=4 727 B10R2.7 C1=CC2=C(C=C1)ON=C2 1484AL [1,0,0,1,0,0|0,0,1]=3 728 B10R2.7 C1=CC2=CON=C2C=C1 5069AL [1,0,0,1,0,0|1,0,1]=4 729 B10R2.7 C1=CC=C2NC=CC2=C1 J70045 [1,0,0,1,0,0|2,0,0]=4 730 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [0,0,0,1,0,1|1,0,1]=4 731 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,0,0,1,0,1|1,0,1]=4 732 B12R2.24 O=C1C=C2C=CC=CC2=NN1 3472AB [0,0,0,1,0,1|1,0,0]=3 733 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,1|1,0,0]=3 734 B12R2.24 O=C1CNC2=C(C=CC=C2)O1 A392 [0,0,0,1,0,1|2,0,0]=4 735 B12R2.24 O=C1COC2=CC=NC=C2N1 Z6517 [0,0,0,1,0,1|2,0,0]=4 736 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,0,0,1,0,1|1,1,0]=4 737 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,0,1,0,1|1,0,0]=3 738 B12R2.202 CC1=C2N=C(Cl)NC2=CC=C1 8038AA [0,0,0,1,0,1|2,0,0]=4 739 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 8797AA [0,0,0,1,0,1|2,0,0]=4 740 B12R2.202 CC1=C2N=C(S)NC2=CC=C1 P459 [0,0,0,1,0,1|1,1,0]=4 741 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 Z4089 [0,0,0,1,0,1|1,0,0]=3 742 B12R2.202 CC1=CC=CC2=C1SC(N)=N2 7358AA [0,0,0,1,0,1|2,0,0]=4 743 B12R2.202 CC1=CC=NC2=C1NC(=O)N2 6491AJ [0,0,0,1,0,1|2,0,0]=4 744 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B859 [0,0,0,1,0,1|2,0,0]=4 745 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 X4702 [0,0,0,1,0,1|1,0,0]=3 746 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 2704AA [0,0,0,1,0,1|1,0,0]=3 747 B12R2.202 NC1=NC2=C(F)C=CC=C2N1 4729AA [0,0,0,1,0,1|2,0,0]=4 748 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 3230AA [0,0,0,1,0,1|2,0,0]=4 749 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 3012AC [0,0,0,1,0,1|2,0,0]=4 750 B12R2.202 O=C1CC2=C(C1)C(Cl)=CC=C2 Z5087 [0,0,0,1,0,1|2,0,0]=4 751 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 Y7437 [0,0,0,1,0,1|0,0,0]=2 752 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 X6198 [0,0,0,1,0,1|2,0,0]=4 753 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 S778 [0,0,0,1,0,1|2,0,0]=4 754 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 3760AC [0,0,0,1,0,1|1,0,0]=3 755 B12R2.202 O=C1NC2=C(S1)C(Br)=CC=C2 3145AA [0,0,0,1,0,1|1,0,0]=3 756 B12R2.1081 NC1=CN=NC2=C1C=CC=C2 7189AB [0,1,0,1,0,0|2,0,0]=4 757 B12R2.1081 NC1CCOC2=CC=CC=C21 5088AC [0,1,0,1,0,0|1,0,1]=4 758 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [0,1,0,1,0,0|1,0,1]=4 759 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [0,1,0,1,0,0|1,0,1]=4 760 B12R2.1081 N[C@@H]1CCOC2=CC=CC=C21 0758AB [0,1,0,1,0,0|1,0,1]=4 761 B12R2.1081 O=C1CCOC2=CC=CN=C12 Z4709 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.1081 O=C1COCC2=C1C=CC=C2 W4380 [0,1,0,1,0,0|1,0,0]=3 763 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 8006AE [0,1,0,1,0,0|2,0,0]=4 764 B12R2.1081 O=C1NC=CC2=CC=CC=C12 6656AB [0,1,0,1,0,0|1,0,0]=3 765 B12R2.1081 O=C1NC=CC2=CN=CC=C12 2582AC [0,1,0,1,0,0|2,0,0]=4 766 B12R2.1081 O=C1NC=NC2=C1N=CC=C2 4806AB [0,1,0,1,0,0|2,0,0]=4 767 B12R2.1081 O=C1NCCC2=C1C=CC=N2 Y7639 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.1081 O=C1NCCC2=C1N=CC=C2 Y3276 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 9076AB [0,1,0,1,0,0|2,0,0]=4 770 B12R2.2028 C[C@H]1NC(=O)C2=C1C=CC=C2 8667AH [0,1,0,1,0,0|1,0,0]=3 771 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 P813 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.203 CC1=C2C(=O)NCC2=CC=C1 3731AJ [0,1,0,1,0,0|1,0,0]=3 773 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 8466AA [0,1,0,1,0,0|2,0,0]=4 774 B12R2.203 CC1=NNC2=CC=CC(F)=C21 0172AC [0,1,0,1,0,0|2,0,0]=4 775 B12R2.203 CC1=NNC2=CC=CC(O)=C21 4592AD [0,1,0,1,0,0|1,0,0]=3 776 B12R2.203 ClC1=NNC2=CC=CC(Br)=C21 SYNMC0806 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl 1897AB [0,1,0,1,0,0|1,0,1]=4 778 B12R2.203 FC1=CC=CC2=C1C(Br)=NN2 Y4531 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.203 NC1=C2C(=CC=C1)NN=C2Cl 8047AJ [0,1,0,1,0,0|2,0,0]=4 780 B12R2.203 NC1=CC=CC2=C1C(Br)=NN2 4363AC [0,1,0,1,0,0|2,0,0]=4 781 B12R2.203 NC1=NNC2=CC=CC(I)=C21 SYNMC0807 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.203 NC1=NOC2=CC=CC(Br)=C21 SYNMC0815 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.203 NC1=NOC2=CC=CC(Br)=C21 W8510 [0,1,0,1,0,0|1,0,0]=3 784 B12R2.203 NC1=NOC2=CC=CC(F)=C21 V8924 [0,1,0,1,0,0|1,0,0]=3 785 B12R2.203 O=C1CCC2=C1C(I)=CC=C2 9520AB [0,1,0,1,0,0|2,0,0]=4 786 B12R2.203 O=C1COC2=C1C(Cl)=CC=C2 3654AB [0,1,0,1,0,0|1,0,0]=3 787 B12R2.203 O=C1COC2=CC=CC(F)=C12 5225AC [0,1,0,1,0,0|1,0,0]=3 788 B12R2.203 O=C1COC2=CC=CC(I)=C12 3473AA [0,1,0,1,0,0|1,0,0]=3 789 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 W8808 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.203 O=C1NCC2=C1C(F)=CC=C2 Y1611 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.203 O=C1NCC2=C1C(O)=CC=C2 0816AA [0,1,0,1,0,0|0,0,0]=2 792 B12R2.203 O=C1NNC2=CC=CC(Br)=C12 6101AJ [0,1,0,1,0,0|1,0,0]=3 793 B12R2.203 O=C1NNC2=CC=CC(F)=C12 X3692 [0,1,0,1,0,0|1,0,0]=3 794 B12R2.196 CC1=C2CNC(=O)C2=CC=C1 2888AJ [0,1,0,1,0,0|1,0,0]=3 795 B12R2.196 CC1=C2NN=C(N)C2=CC=C1 5808AJ [0,1,0,1,0,0|2,0,0]=4 796 B12R2.196 CC1=C2OCC(=O)C2=CC=C1 6493AJ [0,1,0,1,0,0|1,0,0]=3 797 B12R2.196 NC1=NNC2=C1C=CC=C2F B890 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.196 NC1=NOC2=C(F)C=CC=C12 2445AB [0,1,0,1,0,0|1,0,0]=3 799 B12R2.196 O=C1COC2=C1C=CC=C2Cl 3655AB [0,1,0,1,0,0|1,0,0]=3 800 B12R2.196 O=C1COC2=C1C=CC=C2F 6026AC [0,1,0,1,0,0|1,0,0]=3 801 B12R2.196 O=C1NCC2=C1C=CC=C2F 2810AJ [0,1,0,1,0,0|1,0,0]=3 802 B12R2.196 O=C1NNC2=C1C=CC=C2Br Y6459 [0,1,0,1,0,0|1,0,0]=3 803 B12R2.196 O=C1NNC2=C1C=CC=C2F X3694 [0,1,0,1,0,0|1,0,0]=3 804 B12R2.196 O=C1OCC2=C(O)C=CC=C12 5863AA [0,1,0,1,0,0|2,0,0]=4 805 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 3272AJ [0,1,0,1,0,0|2,0,0]=4 806 B12R2.612 CC1=NOC2=CC(Cl)=CC=C21 V7165 [0,1,0,1,0,0|1,0,1]=4 807 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 4591AA [0,1,0,1,0,0|1,0,1]=4 808 B12R2.612 ClC1=NOC2=CC(Br)=CC=C21 SYNMC0812 [0,1,0,1,0,0|1,0,1]=4 809 B12R2.612 FC1=CC=C2C(=C1)ON=C2Cl W5831 [0,1,0,1,0,0|1,0,1]=4 810 B12R2.612 NC1=NOC2=CC(Cl)=CC=C21 V8834 [0,1,0,1,0,0|1,0,0]=3 811 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 2906AL [0,1,0,1,0,0|2,0,0]=4 812 B12R2.132 CC1=NOC2=CC=C(Br)C=C21 V7166 [0,1,0,1,0,0|1,0,1]=4 813 B12R2.132 ClC1=NOC2=CC=C(Br)C=C21 SYNMC0814 [0,1,0,1,0,0|1,0,1]=4 814 B12R2.132 FC1=CC=C2ON=C(Cl)C2=C1 W3891 [0,1,0,1,0,0|1,0,1]=4 815 B12R2.132 NC1=CC2=C(C=C1)NN=C2N B896 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.132 NC1=NNC2=C1C=C(F)C=C2 9168AB [0,1,0,1,0,0|2,0,0]=4 817 B12R2.132 NC1=NNC2=C1C=C(I)C=C2 B894 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.132 NC1=NNC2=CC=C(Br)C=C21 SYNMC0804 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.132 NC1=NOC2=CC=C(Br)C=C21 SYNMC0813 [0,1,0,1,0,0|1,0,0]=3 820 B12R2.132 NC1=NOC2=CC=C(F)C=C21 5444AC [0,1,0,1,0,0|1,0,0]=3 821 B12R2.132 NC1COC2=CC=C(Br)C=C21 3114AJ [0,1,0,1,0,0|1,0,1]=4 822 B12R2.132 NC1COC2=CC=C(Cl)C=C21 3176AJ [0,1,0,1,0,0|1,0,1]=4 823 B12R2.132 NC1COC2=CC=C(Cl)C=C21 3180AJ [0,1,0,1,0,0|1,0,1]=4 824 B12R2.132 O=C1NN=C2C=CC(Br)=CN12 Z3028 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 1873AB [0,1,0,1,0,0|0,0,0]=2 826 B12R2.132 O=C1NOC2=CC=C(F)C=C12 Z5428 [0,1,0,1,0,0|0,0,0]=2 827 B12R2.1 BrCC1=NOC2=C1C=CC=C2 X6921 [0,1,0,1,0,0|1,0,1]=4 828 B12R2.1 NCC1=CSC2=C1C=CC=C2 5052AJ [0,1,0,1,0,0|1,1,0]=4 829 B12R2.1 NCC1=CSC2=CC=CC=C12 Y9464 [0,1,0,1,0,0|1,1,0]=4 830 B12R2.1 NCC1=NNC2=C1C=CC=C2 W8549 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.1 NCC1=NNC2=CC=CC=C21 4191AH [0,1,0,1,0,0|2,0,0]=4 832 B12R2.1 NCC1=NOC2=C1C=CC=C2 9598AH [0,1,0,1,0,0|1,0,0]=3 833 B12R2.1 O=CC1=COC2=C1C=CC=N2 1820AA [0,1,0,1,0,0|2,0,0]=4 834 B12R2.1 O=CC1=NNC2=C1C=CC=C2 5134AJ [0,1,0,1,0,0|1,0,1]=4 835 B12R2.1 OCC1=COC2=CC=CC=C12 6401AB [0,1,0,1,0,0|1,0,1]=4 836 B12R2.1 O\N=C1/COC2=CC=CC=C21 0178AF [0,1,0,1,0,0|1,0,1]=4 837 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,1,0,1,0,0|1,0,1]=4 838 B12R2.18 NC1CC2=C(C=CC=C2)C1=O W7922 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.7 CC(=O)C1=COC=C1 7011AA [1,0,0,0,1,0|2,0,0]=4 840 B8R1.7 N=C(N)C1=COC=C1 5391AE [1,0,0,0,1,0|2,0,0]=4 841 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [1,0,0,0,1,0|2,0,0]=4 842 B8R1.7 NC(=O)C1=CNC=C1 1113AC [1,0,0,0,1,0|1,0,0]=3 843 B8R1.7 NC(=O)C1=CNC=N1 2439AB [1,0,0,0,1,0|2,0,0]=4 844 B8R1.7 NC(=O)C1=CSC=C1 4677AE [1,0,0,0,1,0|1,0,0]=3 845 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [1,0,0,0,1,0|2,0,0]=4 846 B8R1.11 CC1=C(C=O)C=CS1 3068AC [1,0,0,0,1,0|2,0,0]=4 847 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [1,0,0,0,1,0|2,0,0]=4 848 B8R1.11 NC1=C(C=O)SC=C1 8259AB [1,0,0,0,1,0|2,0,0]=4 849 B8R1.11 O=CC1=C(Br)C=CN1 5568AB [1,0,0,0,1,0|2,0,0]=4 850 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,0,0,0,0,2|2,0,0]=4 851 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1F V4347 [0,0,0,0,0,2|2,0,0]=4 852 B12R1.125 CC1=C(OCC(=O)Cl)C=CC=C1 4865AD [0,0,0,0,0,2|2,0,0]=4 853 B12R1.125 CC1=C(\C=C\C(=O)Cl)C=CC=C1 0318AF [0,0,0,0,0,2|2,0,0]=4 854 B12R1.125 CC1=CC=CC=C1CSC(N)=[NH2+] AMTEC013 [0,0,0,0,0,2|2,0,0]=4 855 B12R1.125 N=C(N)COC1=C(Cl)C=CC=C1 6057AE [0,0,0,0,0,2|2,0,0]=4 856 B12R1.125 NC(=S)NNC1=CC=CC=C1F 3798AE [0,0,0,0,0,2|1,1,0]=4 857 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 1154AE [0,0,0,0,0,2|2,0,0]=4 858 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br 0702AF [0,0,0,0,0,2|2,0,0]=4 859 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [0,0,0,0,0,2|2,0,0]=4