0 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,0,0|2,0,2]=4 4 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [0,0,0,0,0,0|2,0,0]=2 7 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,0|2,0,2]=4 8 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [0,0,0,0,0,0|1,0,2]=3 12 B11R1.91 O=C(O)C#CC1=NC=CC=C1 5629AJ [0,0,0,0,0,0|1,0,2]=3 13 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,0,0|2,0,2]=4 14 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [0,0,0,0,0,0|2,0,1]=3 15 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,0,0,0,0,0|2,0,1]=3 16 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [0,0,0,0,0,0|0,0,3]=3 17 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CN=C1 Y6136 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 0445AC [0,0,0,0,0,0|1,0,1]=2 19 B10R1.17 N#C\C=C\C1=CC=NC=C1 8913AH [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,0,0,0,0,0|1,0,1]=3 21 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 OCCSC1=CC=CC=C1 K990 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [1,0,0,0,0,0|1,0,1]=3 24 B10R1.17 OC\C=C\C1=NC=CC=C1 5626AJ [1,0,0,0,0,0|1,0,1]=3 25 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [0,1,0,0,0,0|1,0,2]=4 26 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,1,0,0,0,0|1,0,2]=4 27 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [0,1,0,0,0,0|2,0,1]=4 28 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [0,1,0,0,0,0|1,0,0]=2 29 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,1,0,0,0,0|1,0,1]=3 30 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,1,0,0,0,0|1,0,1]=3 31 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [0,1,0,0,0,0|1,0,0]=2 32 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 W4673 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8075AF [0,1,0,0,0,0|1,0,1]=3 34 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [0,1,0,0,0,0|0,0,0]=1 35 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1 4346AF [0,1,0,0,0,0|1,0,0]=2 36 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [0,1,0,0,0,0|0,0,0]=1 37 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [0,1,0,0,0,0|1,0,1]=3 39 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)N=C1 2985AA [0,1,0,0,0,0|1,0,0]=2 40 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 3157AL [0,1,0,0,0,0|2,0,1]=4 41 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,1,0,0,0,0|3,0,0]=4 43 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,1,0,0,0,0|1,0,2]=4 44 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 X7985 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [0,1,0,0,0,0|3,0,0]=4 46 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,1,0,0,0,0|2,0,0]=3 47 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,0,0|1,0,2]=4 48 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,1,0,0,0,0|1,0,1]=3 49 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [0,1,0,0,0,0|2,0,1]=4 50 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [0,1,0,0,0,0|2,0,1]=4 51 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,0,0|0,0,2]=3 52 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,1,0,0,0,0|1,0,2]=4 53 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,1,0,0,0,0|1,0,2]=4 54 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [0,1,0,0,0,0|1,0,2]=4 55 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,1,0,0,0,0|1,0,0]=2 56 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [0,1,0,0,0,0|1,0,2]=4 57 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,1,0,0,0,0|0,0,2]=3 58 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,1,0,0,0,0|2,0,0]=3 59 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [0,1,0,0,0,0|1,0,2]=4 60 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [0,1,0,0,0,0|2,0,1]=4 61 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [0,1,0,0,0,0|0,0,0]=1 62 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,1,0,0,0,0|1,0,2]=4 63 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1F V4347 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.125 CC1=C(OCC(=O)Cl)C=CC=C1 4865AD [0,1,0,0,0,0|2,0,1]=4 65 B12R1.125 CC1=C(\C=C\C(=O)Cl)C=CC=C1 0318AF [0,1,0,0,0,0|1,0,0]=2 66 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 2200AL [0,1,0,0,0,0|1,0,0]=2 67 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 2079AC [0,1,0,0,0,0|1,0,0]=2 68 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 1154AE [0,1,0,0,0,0|1,0,0]=2 69 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br 0702AF [0,1,0,0,0,0|1,0,0]=2 70 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [0,1,0,0,0,0|1,0,2]=4 71 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [0,1,0,0,0,0|1,0,2]=4 72 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [0,1,0,0,0,0|1,0,1]=3 73 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,1,0,0,0,0|1,0,2]=4 74 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [0,1,0,0,0,0|1,0,2]=4 76 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,1,0,0,0,0|0,0,0]=1 77 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(Cl)=C1 3923AD [0,1,0,0,0,0|1,0,0]=2 78 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(F)=C1 2333AE [0,1,0,0,0,0|1,0,0]=2 79 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [0,1,0,0,0,0|0,0,2]=3 80 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [0,1,0,0,0,0|0,0,0]=1 81 B12R1.226 O=[N+]([O-])\C=C\C1=CC(F)=CC=C1 Y6110 [0,1,0,0,0,0|1,0,1]=3 82 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 0933AC [0,1,0,0,0,0|1,0,1]=3 83 B12R1.891 O=S(=O)(F)\C=C\C1=CC=CC=C1 0464AQ [0,1,0,0,0,0|1,0,1]=3 84 B12R1.891 O=S(=O)([O-])\C=C\C1=CC=CC=C1 7167AL [0,1,0,0,0,0|1,0,1]=3 85 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,1,0,0|1,0,2]=4 86 B12R2.24 BrC1=CC=C2C=CC=NC2=N1 9178AB [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 BrC1=CC=C2N=CC=CC2=N1 W6640 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 BrC1=NC2=C(C=CN=C2)C=C1 X4983 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 ClC1=CC=C2C=CC=NC2=N1 8014AA [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 ClC1=CC=C2C=CN=CC2=N1 X4982 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 ClC1=NC2=C(C=C1)C=NC=C2 1613AB [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 FC1=CC=C2C=CC=CC2=C1 Z3465 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.24 FC1=CC=C2C=CC=CC2=N1 V6750 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.24 IC1=CC=C2C=CC=NC2=C1 2036AB [0,0,0,1,0,0|3,0,0]=4 95 B12R2.24 NC1=CC=C2C=CC=NC2=N1 W2860 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 O=C1C=C2C=CC=CC2=NN1 3472AB [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 O=C1C=CC2=C(C=CN=C2)N1 1612AB [0,0,0,1,0,0|2,0,0]=3 98 B12R2.24 O=C1C=CC2=C(C=NC=C2)N1 7984AB [0,0,0,1,0,0|2,0,0]=3 99 B12R2.24 O=C1C=CC2=CC=CNC2=N1 8013AA [0,0,0,1,0,0|2,0,0]=3 100 B12R2.24 O=C1C=CC2=NC=CN=C2N1 W5732 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.24 O=C1CNC2=C(C=CC=C2)O1 A392 [0,0,0,1,0,0|1,0,1]=3 103 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,0,0,1,0,0|2,0,1]=4 104 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,0,1,0,0|2,0,1]=4 105 B12R2.24 OC1=CC2=NC=CC=C2N=C1 V3391 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.24 OC1=NC=C2C=CC=CC2=N1 W8233 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.24 S=C1C=CC2=CC=CC=C2N1 0779AQ [0,0,0,1,0,0|1,1,0]=3 108 B12R2.24 SC1=NC2=CC=CC=C2N=C1 8313AE [0,0,0,1,0,0|2,1,0]=4 109 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [0,0,0,0,1,0|2,0,0]=3 110 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,1,0|2,0,1]=4 111 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,0,0,1,0|2,0,0]=3 112 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,0,0,0,1,0|1,0,2]=4 113 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,0,0,0,1,0|2,0,1]=4 114 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [0,0,0,0,1,0|2,0,1]=4 115 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,1,0|1,0,1]=3 116 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [0,0,0,0,1,0|2,1,0]=4 117 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,0,0,1,0|1,0,2]=4 118 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [0,0,0,0,1,0|2,0,1]=4 119 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [0,0,0,0,0,1|1,0,2]=4 120 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,0,1|1,0,2]=4 121 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,0,1|1,0,2]=4 122 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 Z9474 [0,0,0,0,0,1|1,0,1]=3 123 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [2,0,0,0,0,0|0,0,1]=3 124 B9R1.8 O=CNC1=NC=CC=C1 1807AL [2,0,0,0,0,0|2,0,0]=4 125 B9R1.8 O\N=C\C1=CC=NC=C1 W9935 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.1 CO\C=C\C1=CC=C(Br)C=C1 8849AB [1,1,0,0,0,0|2,0,0]=4 127 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 1548AL [1,1,0,0,0,0|1,0,1]=4 128 B11R1.1 ClC\C=C\C1=CC=C(Br)C=C1 Y1270 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 3648AL [1,1,0,0,0,0|1,0,1]=4 130 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 8226AC [1,1,0,0,0,0|0,0,1]=3 131 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [1,1,0,0,0,0|1,0,0]=3 132 B11R1.16 N#C\C=C(/N)C1=CC=CC=C1 6118AD [1,1,0,0,0,0|1,0,1]=4 133 B11R1.17 O=C\C=C\C1=CC=CC=C1F Z3547 [1,1,0,0,0,0|0,0,0]=2 134 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 3971AD [1,1,0,0,0,0|0,0,2]=4 135 B11R1.24 O=CCCC1=CC=CC(F)=C1 1852AB [1,1,0,0,0,0|0,0,2]=4 136 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 W3315 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 Z3561 [1,1,0,0,0,0|0,0,0]=2 138 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 Z3562 [1,1,0,0,0,0|0,0,0]=2 139 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 Z3565 [1,1,0,0,0,0|0,0,0]=2 140 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [1,1,0,0,0,0|0,0,2]=4 141 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,1,0,0,1,0|1,0,1]=4 142 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [0,1,0,0,1,0|2,0,0]=4 143 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 5213AB [0,1,0,0,1,0|1,0,1]=4 144 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 9998AA [0,1,0,0,1,0|1,0,1]=4 145 B11R1.36 BrC(Br)=C(Br)C1=CC=CC=C1 O760 [0,1,0,0,1,0|2,0,0]=4 146 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,1,0,0,1,0|1,0,1]=4 147 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,1,0|1,0,1]=4 148 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,1,0,0,1,0|1,0,1]=4 149 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,1,0,0,1,0|2,0,0]=4 150 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,0,0,1,0|1,0,1]=4 151 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 5421AJ [0,1,0,0,1,0|1,0,1]=4 152 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,1,0,0,1,0|1,0,0]=3 153 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,1,0|0,0,1]=3 154 B11R1.36 O=C(O)C(O)C1=CN=CC=C1 HTS033680 [0,1,0,0,1,0|1,0,1]=4 155 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,1,0,0,1,0|1,0,1]=4 156 B11R1.86 CC(=O)OC1=CC=CC=C1I 0334AE [0,1,0,0,1,0|2,0,0]=4 157 B11R1.86 NC1=NC=CC=C1CC(=O)O 0495AA [0,1,0,0,1,0|1,0,1]=4 158 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 8054AF [0,1,0,0,1,0|2,0,0]=4 159 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 X7036 [0,1,0,0,1,0|1,0,1]=4 160 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 2129AB [0,1,0,0,1,0|2,0,0]=4 161 B11R1.75 CC1=NC(\C=C\C(=O)O)=CS1 0323AB [0,1,0,0,1,0|2,0,0]=4 162 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 2184AC [0,1,0,0,1,0|1,0,0]=3 163 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 Z2093 [0,1,0,0,1,0|1,0,0]=3 164 B11R1.90 CN1C=CC=C1\C=C\C(=O)O Z2042 [0,1,0,0,1,0|1,0,0]=3 165 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2633AJ [0,1,0,0,0,1|0,0,2]=4 166 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2634AJ [0,1,0,0,0,1|0,0,2]=4 167 B13R1.45 N\C(=N/CC(=O)O)C1=CC=CC=C1 0280AE [0,1,0,0,0,1|0,0,1]=3 168 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 5808AE [0,1,0,0,0,1|1,0,1]=4 169 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 6803AD [0,1,0,0,0,1|1,0,1]=4 170 B13R1.149 NC1=CC(CCCC(=O)O)=CC=C1 5501AC [0,1,0,0,0,1|0,0,2]=4 171 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 2505AL [0,1,0,0,0,1|0,0,2]=4 172 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 5613AJ [0,1,0,0,0,1|0,0,2]=4 173 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 9371AD [0,1,0,0,0,1|0,0,2]=4 174 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 1874AE [0,1,0,0,0,1|0,0,2]=4 175 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O 3119AH [0,1,0,0,0,1|0,0,2]=4 176 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [0,1,0,0,0,1|0,0,2]=4 177 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 4035AD [0,1,0,0,0,1|0,0,2]=4 178 B13R1.718 COC(=O)CCNC1=CC=CC=C1 W4523 [0,1,0,0,0,1|0,0,2]=4 179 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 1163AL [0,1,0,0,0,1|0,0,0]=2 180 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 9197AD [0,2,0,0,0,0|0,0,0]=2 181 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 1270AB [0,2,0,0,0,0|0,0,2]=4 182 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 6135AC [0,2,0,0,0,0|1,0,0]=3 183 B13R1.3 N#CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 X2781 [0,2,0,0,0,0|1,0,1]=4 184 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 H156 [0,2,0,0,0,0|0,0,0]=2 185 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [0,2,0,0,0,0|0,0,2]=4 186 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 8383AE [0,2,0,0,0,0|1,0,1]=4 187 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 2650AE [0,2,0,0,0,0|1,0,1]=4 188 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 1434AL [0,2,0,0,0,0|1,0,1]=4 189 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 X9801 [0,2,0,0,0,0|0,0,2]=4 190 B13R1.133 CC(CC1=CC=C(Cl)C=C1)C(=O)O 7328AC [0,2,0,0,0,0|0,0,2]=4 191 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 0111AE [0,2,0,0,0,0|1,0,1]=4 192 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O X6269 [0,2,0,0,0,0|1,0,1]=4 193 B13R1.133 CC1=CC=C(\C=C(\C)[N+](=O)[O-])C=C1 X6155 [0,2,0,0,0,0|1,0,1]=4 194 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O V2122 [0,2,0,0,0,0|1,0,1]=4 195 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 8057AF [0,2,0,0,0,0|1,0,0]=3 196 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 7300AA [0,2,0,0,0,0|0,0,2]=4 197 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 C107 [0,2,0,0,0,0|0,0,1]=3 198 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [0,2,0,0,0,0|0,0,2]=4 199 B13R1.164 CC1=C(CCC(=O)O)C=CC(F)=C1 X3493 [0,2,0,0,0,0|0,0,2]=4 200 B13R1.164 CC1=C(OCC(=O)O)C=CC(Br)=C1 8298AE [0,2,0,0,0,0|1,0,1]=4 201 B13R1.164 CC1=CC(Br)=C(OCC(=O)O)C=C1 8414AD [0,2,0,0,0,0|1,0,1]=4 202 B13R1.164 CC1=CC=C(OCC(=O)O)C(Cl)=C1 8490AH [0,2,0,0,0,0|1,0,1]=4 203 B13R1.164 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1Cl 2351AE [0,2,0,0,0,0|1,0,0]=3 204 B13R1.164 O=C(O)CCC1=C(F)C=C(Cl)C=C1 9037AA [0,2,0,0,0,0|0,0,2]=4 205 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br W3815 [0,2,0,0,0,0|0,0,2]=4 206 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1Cl V1520 [0,2,0,0,0,0|1,0,1]=4 207 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 N595 [0,2,0,0,0,0|0,0,0]=2 208 B13R1.164 O=C(O)\C=C\C1=CC=C(O)C=C1Cl 2201AL [0,2,0,0,0,0|0,0,0]=2 209 B13R1.164 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1Br 9931AC [0,2,0,0,0,0|1,0,1]=4 210 B13R1.511 CC1=C(C)C=C(\C=C\C(=O)O)C=C1 6546AE [0,2,0,0,0,0|0,0,0]=2 211 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Br 2864AF [0,2,0,0,0,0|1,0,1]=4 212 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl 6151AE [0,2,0,0,0,0|1,0,1]=4 213 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N 1957AJ [0,2,0,0,0,0|0,0,2]=4 214 B13R1.511 NC(=O)\C=C\C1=CC=C(O)C(O)=C1 W2115 [0,2,0,0,0,0|1,0,0]=3 215 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 5105AC [0,2,0,0,0,0|0,0,2]=4 216 B13R1.511 O=C(Cl)\C=C\C1=CC=C(Cl)C(Cl)=C1 2348AE [0,2,0,0,0,0|1,0,0]=3 217 B13R1.511 O=C(O)COC1=CC(Cl)=C(F)C=C1 0415AE [0,2,0,0,0,0|1,0,1]=4 218 B13R1.511 O=C(O)\C=C\C1=CC=C(Br)C(F)=C1 V9167 [0,2,0,0,0,0|0,0,0]=2 219 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 7288AJ [0,2,0,0,0,0|1,0,1]=4 220 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 X5332 [0,2,0,0,0,0|0,0,1]=3 221 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 2814AC [0,2,0,0,0,0|1,0,1]=4 222 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 B603 [0,2,0,0,0,0|0,0,2]=4 223 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 3534AL [0,2,0,0,0,0|0,0,2]=4 224 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 7145AJ [0,2,0,0,0,0|0,0,0]=2 225 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [0,2,0,0,0,0|0,0,2]=4 226 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 8454AE [0,2,0,0,0,0|1,0,0]=3 227 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC A535 [0,2,0,0,0,0|0,0,1]=3 228 B13R1.135 NNC(=O)C(=O)NC1=CC=CC=C1 4100AE [0,2,0,0,0,0|2,0,0]=4 229 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 8474AA [0,2,0,0,0,0|0,0,0]=2 230 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 4332AH [0,2,0,0,0,0|0,0,0]=2 231 B13R1.528 COC(=O)\C=C\C1=CN=CC=C1Cl 2679AD [0,2,0,0,0,0|1,0,0]=3 232 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O 2882AE [0,2,0,0,0,0|1,0,1]=4 233 B13R1.148 CC(OC1=CC=CC(F)=C1)C(=O)O 2887AF [0,2,0,0,0,0|1,0,1]=4 234 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 Z3666 [0,2,0,0,0,0|0,0,2]=4 235 B13R1.148 NC1=CC=CC(CC(N)C(=O)O)=C1 2723AB [0,2,0,0,0,0|0,0,2]=4 236 B13R1.148 N[C@@H](CC1=CC(I)=CC=C1)C(=O)O 0664AB [0,2,0,0,0,0|0,0,2]=4 237 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Z3664 [0,2,0,0,0,0|0,0,2]=4 238 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O Z3665 [0,2,0,0,0,0|0,0,2]=4 239 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O 4562AA [0,2,0,0,0,0|0,0,2]=4 240 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 5911AD [0,2,0,0,0,0|1,0,0]=3 241 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 1494AF [0,2,0,0,0,0|1,0,0]=3 242 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 8070AB [0,2,0,0,0,0|0,0,2]=4 243 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O 1519AF [0,2,0,0,0,0|0,0,2]=4 244 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O 9058AE [0,2,0,0,0,0|1,0,1]=4 245 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O 0209AB [0,2,0,0,0,0|0,0,2]=4 246 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O 9213AA [0,2,0,0,0,0|0,0,2]=4 247 B13R1.202 N[C@@H](CC1=CC=CC=C1I)C(=O)O V3702 [0,2,0,0,0,0|0,0,2]=4 248 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl 9660AE [0,2,0,0,0,0|1,0,0]=3 249 B13R1.418 N#CC(CC1=CC=CC=C1)C(=O)O 5530AJ [0,2,0,0,0,0|0,0,2]=4 250 B13R1.418 N#C\C(=C/C1=CC=CN=C1)C(=O)O 7717AC [0,2,0,0,0,0|1,0,0]=3 251 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 5357AA [0,2,0,0,0,0|0,0,2]=4 252 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 9592AA [0,2,0,0,0,0|0,0,2]=4 253 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O W7037 [0,2,0,0,0,0|0,0,2]=4 254 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O Z5774 [0,2,0,0,0,0|0,0,2]=4 255 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 0683AA [0,2,0,0,0,0|0,0,2]=4 256 B13R1.147 N[C@H](CC(=O)O)C1=CC(O)=CC=C1 2233AC [0,2,0,0,0,0|0,0,2]=4 257 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C Y9479 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 8180AF [0,2,0,0,0,0|2,0,0]=4 259 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 2300AC [0,2,0,0,0,0|0,0,2]=4 260 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F Z5660 [0,2,0,0,0,0|0,0,2]=4 261 B13R1.90 COC1=C(NCC(=O)O)C=CC=C1 6281AC [0,2,0,0,0,0|1,0,1]=4 262 B13R1.90 COC1=C(\C=C\C(=O)Cl)C=CC=C1 5001AD [0,2,0,0,0,0|1,0,0]=3 263 B13R1.90 COC1=CC=CC=C1OCC(=O)O 6316AD [0,2,0,0,0,0|1,0,1]=4 264 B13R1.90 CSC1=CC=CC=C1OCC(=O)O 0854AE [0,2,0,0,0,0|1,0,1]=4 265 B13R1.893 CC(=O)\C=C\C1=C(F)C=CC(Br)=C1 V9954 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.893 O=C(O)COC1=C(Cl)C=CC(Cl)=C1 6036AE [0,2,0,0,0,0|1,0,1]=4 267 B13R1.893 O=C(O)\C=C\C1=C(O)C=CC(O)=C1 7170AE [0,2,0,0,0,0|0,0,0]=2 268 B13R1.893 O=C(O)\C=C\C1=CC(Cl)=CC=C1Cl 7481AC [0,2,0,0,0,0|0,0,0]=2 269 B13R1.3787 CC1=CC=CC(C)=C1CCC(=O)O 6498AD [0,2,0,0,0,0|0,0,2]=4 270 B13R1.3787 CC1=CC=CC(Cl)=C1OCC(=O)O 9926AA [0,2,0,0,0,0|1,0,1]=4 271 B13R1.3787 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1Cl 7841AD [0,2,0,0,0,0|1,0,0]=3 272 B13R1.3787 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1F 9702AC [0,2,0,0,0,0|1,0,0]=3 273 B13R1.3787 O=C(O)CSC1=C(Cl)C=CC=C1Cl 1055AL [0,2,0,0,0,0|1,0,1]=4 274 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1F 2372AE [0,2,0,0,0,0|0,0,0]=2 275 B13R1.643 CCC1=CC(OCC(=O)O)=CC=C1 6312AD [0,2,0,0,0,0|1,0,1]=4 276 B13R1.643 COC1=CC=CC(OCC(=O)O)=C1 7101AD [0,2,0,0,0,0|1,0,1]=4 277 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=C1 W6215 [0,2,0,0,0,0|0,0,2]=4 278 B11R1.53 C=CC1=CC=CC=C1B(O)O N996 [0,0,1,1,0,0|1,0,1]=4 279 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 1775AB [0,0,1,1,0,0|2,0,0]=4 280 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 1604AB [0,0,1,1,0,0|2,0,0]=4 281 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [1,0,0,1,0,0|2,0,0]=4 282 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [1,0,0,1,0,0|2,0,0]=4 283 B11R2.1 ClC1=COC2=CC=CC=C12 9647AB [1,0,0,1,0,0|2,0,0]=4 284 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [1,0,0,1,0,0|2,0,0]=4 285 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [1,0,0,1,0,0|0,0,0]=2 286 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 0677AQ [1,0,0,1,0,0|2,0,0]=4 287 B11R2.20 C1=CC2=CC=NC=C2N=C1 2051AB [1,0,0,1,0,0|2,0,0]=4 288 B11R2.20 C1=CC=C2N=NC=CC2=C1 8857AB [1,0,0,1,0,0|2,0,0]=4 289 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [1,0,0,1,0,0|0,0,1]=3 290 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [0,0,0,1,1,0|1,0,0]=3 291 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [0,0,0,1,1,0|2,0,0]=4 292 B11R2.10 NC1=CC2=C(C=CC=C2)N1 U958 [0,0,0,1,1,0|2,0,0]=4 293 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,0,0,1,1,0|1,1,0]=4 294 B11R2.10 O=C1NC2=C(C=NC=C2)O1 0581AC [0,0,0,1,1,0|2,0,0]=4 295 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [0,0,0,1,1,0|1,0,0]=3 296 B11R2.36 OC1=CC=C2C=COC2=C1 5917AA [0,0,0,1,1,0|2,0,0]=4 297 B11R2.36 OC1=CC=C2NC=CC2=N1 Z4288 [0,0,0,1,1,0|2,0,0]=4 298 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 Y6510 [0,0,0,1,0,1|1,0,0]=3 299 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 Y4361 [0,0,0,1,0,1|2,0,0]=4 300 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 Y7505 [0,0,0,1,0,1|2,0,0]=4 301 B13R2.10 BrC1=NN(C2=CC=CC=C2)C=C1 Y9269 [0,0,0,1,0,1|2,0,0]=4 302 B13R2.10 CC1=COC(C2=CC=CC=C2)=N1 Y4446 [0,0,0,1,0,1|2,0,0]=4 303 B13R2.10 CC1=CSC(C2=CC=CC=C2)=C1 4298AD [0,0,0,1,0,1|2,0,0]=4 304 B13R2.10 CC1=NC=C(C2=CC=CC=C2)S1 0265AB [0,0,0,1,0,1|1,1,0]=4 305 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)O1 Z4955 [0,0,0,1,0,1|1,0,0]=3 306 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 9660AL [0,0,0,1,0,1|1,1,0]=4 307 B13R2.10 NC1=NC=C(C2=CC=CC=C2)O1 8064AE [0,0,0,1,0,1|1,0,0]=3 308 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 2385AJ [0,0,0,1,0,1|1,0,1]=4 309 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 X3995 [0,0,0,1,0,1|1,0,0]=3 310 B13R2.10 O=C1NN=C(C2=CC=NC=C2)O1 2793AB [0,0,0,1,0,1|2,0,0]=4 311 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 0220AF [0,0,0,1,0,1|1,0,0]=3 312 B13R2.10 S=C1NC=C(C2=CC=CC=C2)N1 8132AE [0,0,0,1,0,1|1,1,0]=4 313 B13R2.10 SC1=NC(C2=CC=CC=C2)=CS1 0755AB [0,0,0,1,0,1|1,1,0]=4 314 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 Y7084 [0,0,0,1,0,1|1,0,0]=3 315 B13R2.72 NC(=S)C1=CSC2=CC=CC=C21 Y8426 [0,0,0,1,0,1|1,1,0]=4 316 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 9847AB [0,0,0,1,0,1|1,0,0]=3 317 B13R2.72 O=C(O)C1=C2C=CC=CN2C=C1 4156AJ [0,0,0,1,0,1|1,0,0]=3 318 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 Y7719 [0,0,0,1,0,1|1,0,0]=3 319 B13R2.72 O=C(O)C1=CN=C2C=CC=NN12 X3929 [0,0,0,1,0,1|2,0,0]=4 320 B13R2.72 O=C(O)C1=CNC2=CN=CC=C21 0299AC [0,0,0,1,0,1|1,0,0]=3 321 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 Y8504 [0,0,0,1,0,1|0,0,0]=2 322 B13R2.72 O=C(O)C1=NNC2=C1C=NC=C2 W9600 [0,0,0,1,0,1|2,0,0]=4 323 B13R2.72 O=C(O)C1COC2=CC=CC=C21 5259AB [0,0,0,1,0,1|0,0,2]=4 324 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 X7950 [0,0,0,1,0,1|0,0,2]=4 325 B13R2.72 O=C(O)C1NCC2=CC=CC=C21 1356AJ [0,0,0,1,0,1|0,0,2]=4 326 B13R2.72 O=C(O)N1C=CC2=C1C=NC=C2 8704AA [0,0,0,1,0,1|1,0,0]=3 327 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 8324AB [0,0,0,1,0,1|0,0,2]=4 328 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 6031AC [0,0,0,1,0,1|0,0,2]=4 329 B13R2.155 CC1=CC2=NC(C)=CC=C2C=C1 5835AC [0,1,0,1,0,0|2,0,0]=4 330 B13R2.155 CC1=CC2=NC(Cl)=CC=C2C=C1 X5611 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.155 CC1=CC=C2C=CC(=O)NC2=C1 5491AB [0,1,0,1,0,0|1,0,0]=3 332 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 6027AE [0,1,0,1,0,0|2,0,0]=4 333 B13R2.155 ClC1=CC=C2C=CC(Cl)=NC2=C1 1937AL [0,1,0,1,0,0|2,0,0]=4 334 B13R2.155 FC1=CC=C2C=CC(Cl)=NC2=C1 6139AB [0,1,0,1,0,0|2,0,0]=4 335 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 8638AB [0,1,0,1,0,0|1,0,0]=3 336 B13R2.155 NC1=CC2=CC(O)=CC=C2C=C1 4763AE [0,1,0,1,0,0|1,0,0]=3 337 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 3069AL [0,1,0,1,0,0|2,0,0]=4 338 B13R2.155 NC1=CN=C2C=CC(O)=CC2=C1 Y4567 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.155 O=C1C=CC2=C(C=C(F)C=N2)N1 6703AC [0,1,0,1,0,0|2,0,0]=4 340 B13R2.155 O=C1C=CC2=NC=C(Cl)C=C2N1 6704AC [0,1,0,1,0,0|2,0,0]=4 341 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 W8599 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 8854AB [0,1,0,1,0,0|2,0,0]=4 343 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 Z4121 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.155 OC1=NC2=C(C=C1)C=CC(F)=N2 0489AF [0,1,0,1,0,0|2,0,0]=4 345 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 8663AE [0,1,0,1,0,0|1,1,0]=4 346 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O 6934AD [0,1,0,1,0,0|1,0,1]=4 347 B13R2.32 CC1=CC=C2C=CC=CC2=C1C 5964AF [0,1,0,1,0,0|2,0,0]=4 348 B13R2.32 CC1=CC=C2C=CC=CC2=C1N 1343AB [0,1,0,1,0,0|2,0,0]=4 349 B13R2.32 CC1=CC=C2C=CC=CC2=C1N 4747AL [0,1,0,1,0,0|2,0,0]=4 350 B13R2.32 NC1=C(Br)C=CC2=CC=CC=C21 2021AC [0,1,0,1,0,0|2,0,0]=4 351 B13R2.32 NC1=C2C=CC=CC2=CC=C1O D097 [0,1,0,1,0,0|1,0,0]=3 352 B13R2.32 NC1=COC2=C(C=CC=C2)C1=O 2350AL [0,1,0,1,0,0|2,0,0]=4 353 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=N1 4705AB [0,1,0,1,0,0|2,0,0]=4 354 B13R2.32 OC1=CC=C2C=CC=CC2=C1O 4452AL [0,1,0,1,0,0|0,0,1]=3 355 B13R2.33 O=C1COC2=C(C=CC=C2)CN1 4246AB [0,1,0,1,0,0|1,0,1]=4 356 B13R2.57 BrCC1=NC2=C(C=CC=C2)C=C1 0850AB [0,1,0,1,0,0|2,0,0]=4 357 B13R2.57 CNC1=CC=C2C=CC=CC2=N1 3764AL [0,1,0,1,0,0|2,0,0]=4 358 B13R2.57 ClCC1=CC=C2C=CC=CC2=C1 8370AD [0,1,0,1,0,0|2,0,0]=4 359 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 Y6233 [0,1,0,1,0,0|2,0,0]=4 360 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 KMA0119 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 W8938 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.57 O=CC1=CC2=NC=CC=C2C=C1 Y5450 [0,1,0,1,0,0|2,0,0]=4 363 B13R2.57 OCC1=CC2=NC=CC=C2C=C1 Y9005 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.57 OCC1=CC=C2C=NC=CC2=C1 Y8094 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 2320AB [0,1,0,1,0,0|1,0,0]=3 366 B13R2.369 BrC1=C(I)C=C2C=CC=CC2=C1 7602AC [0,1,0,1,0,0|2,0,0]=4 367 B13R2.369 CC1=C(Br)C=C2C=CC=CC2=C1 V9329 [0,1,0,1,0,0|2,0,0]=4 368 B13R2.369 CC1=C(Br)N=C2C=CC=CC2=C1 Y8853 [0,1,0,1,0,0|2,0,0]=4 369 B13R2.369 CC1=C(N)C=C2C=CC=CC2=N1 W4438 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.369 CC1=C(N)N=C2C=CC=CC2=C1 1634AC [0,1,0,1,0,0|2,0,0]=4 371 B13R2.369 CC1=C(O)C=C2C=CC=CC2=C1 8937AA [0,1,0,1,0,0|1,0,0]=3 372 B13R2.369 ClC1=C(I)C=C2C=CC=CC2=N1 X9732 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.369 NC1=C(Br)C=C2C=CC=CC2=N1 Z4661 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.369 NC1=C(Cl)N=C2C=CC=CC2=C1 5528AJ [0,1,0,1,0,0|2,0,0]=4 375 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br 6011AC [0,1,0,1,0,0|1,0,0]=3 376 B13R2.369 O=C1NC2=CC=CC=C2C=C1O 8747AD [0,1,0,1,0,0|1,0,0]=3 377 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 2378AL [0,1,0,1,0,0|0,0,0]=2 378 B13R2.435 CC(=O)C1=CN2C=CC=CC2=N1 8978AB [0,1,0,1,0,0|2,0,0]=4 379 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 S727 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 7065AE [0,1,0,1,0,0|1,0,0]=3 381 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)O1 1563AJ [0,1,0,1,0,0|2,0,0]=4 382 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)S1 Y2101 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 5744AB [0,1,0,1,0,0|0,0,0]=2 384 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 1053AE [0,1,0,1,0,0|1,0,0]=3 385 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 8940AC [0,1,0,1,0,0|1,0,0]=3 386 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4148AJ [0,1,0,1,0,0|1,0,0]=3 387 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 9033AF [0,1,0,1,0,0|2,0,0]=4 388 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 W5763 [0,1,0,1,0,0|1,0,0]=3 389 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 0228AF [0,1,0,1,0,0|1,0,1]=4 390 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 7649AH [0,1,0,1,0,0|1,0,1]=4 391 B13R2.435 OB(O)C1=CC2=CC=CC=C2C1 9857AH [0,1,0,1,0,0|1,0,1]=4 392 B13R2.328 BrC1=CC(Br)=NC2=C1C=CC=C2 0341AB [0,1,0,1,0,0|2,0,0]=4 393 B13R2.328 CC1=C2C=CC=CC2=CC(O)=N1 V3666 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.328 CC1=C2C=CC=CC2=NC(N)=C1 2796AA [0,1,0,1,0,0|2,0,0]=4 395 B13R2.328 CC1=CC(C)=C2C=CC=CC2=C1 4571AL [0,1,0,1,0,0|2,0,0]=4 396 B13R2.328 CC1=CC(C)=C2C=CC=CC2=N1 Y3188 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.328 CC1=NC(=O)NC2=CC=CC=C21 4234AB [0,1,0,1,0,0|2,0,0]=4 398 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 6609AA [0,1,0,1,0,0|2,0,0]=4 399 B13R2.328 NC1=C2C=CC=CC2=NC(O)=N1 Z4805 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)O1 1973AL [0,1,0,1,0,0|1,0,0]=3 401 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 5894AB [0,1,0,1,0,0|2,0,0]=4 402 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 X8934 [0,1,0,1,0,0|1,0,0]=3 403 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 9672AH [0,1,0,1,0,0|2,0,0]=4 404 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 1752AA [0,1,0,1,0,0|2,0,0]=4 405 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 0342AB [0,1,0,1,0,0|2,0,0]=4 406 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)S1 8603AA [0,1,0,1,0,0|0,1,0]=3 407 B13R2.328 OC1=C2C=CC=CC2=NC(Cl)=C1 W8379 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.5179 CC1=CC=C2C(=O)C=CC=C2N1 9091AB [0,1,0,1,0,0|2,0,0]=4 409 B13R2.5179 ClC1=NC2=CC=CC(Br)=C2C=C1 6976AC [0,1,0,1,0,0|2,0,0]=4 410 B13R2.5179 NC1=CC2=CC=CC(O)=C2C=C1 X5649 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 0126AA [0,1,0,1,0,0|2,0,0]=4 412 B13R2.5179 O=C1C=CNC2=C1C=CC(O)=C2 6476AC [0,1,0,1,0,0|2,0,0]=4 413 B13R2.5179 OC1=CC2=NC=CC(Cl)=C2C=C1 W3949 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.5179 OC1=CC=C2C(Br)=CC=NC2=C1 9530AA [0,1,0,1,0,0|2,0,0]=4 415 B13R2.162 CC1=CC=C2C=CC=C(C)C2=N1 F358 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.162 CC1=CC=CC2=CC=C(Br)N=C12 V9922 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.162 ClC1=CC=CC2=CC=C(Br)N=C12 V8770 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 X6573 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=N1 Y7011 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.162 NC1=NC2=C(Cl)C=CC=C2C=C1 3092AL [0,1,0,1,0,0|2,0,0]=4 421 B13R2.162 OC1=CC2=C(C=CC=C2Br)C=C1 9029AE [0,1,0,1,0,0|1,0,0]=3 422 B13R2.3683 BrC1=CC2=CC=C(I)C=C2C=C1 5064AB [0,1,0,1,0,0|2,0,0]=4 423 B13R2.3683 CC1=CC2=C(C=C1)C=C(F)C=C2 3624AB [0,1,0,1,0,0|2,0,0]=4 424 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=N1 9177AB [0,1,0,1,0,0|2,0,0]=4 425 B13R2.3683 ClC1=CC2=C(C=C1)C=C(Cl)C=C2 0591AB [0,1,0,1,0,0|2,0,0]=4 426 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2C=C1 X2007 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.3683 FC1=CC2=CC=C(Br)C=C2C=C1 X0176 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 6736AA [0,1,0,1,0,0|2,0,0]=4 429 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 Y1730 [0,1,0,1,0,0|1,0,0]=3 430 B13R2.3683 NC1=NC2=C(C=C1)C=C(Cl)C=C2 9757AA [0,1,0,1,0,0|2,0,0]=4 431 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 5511AB [0,1,0,1,0,0|1,0,0]=3 432 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,0,0,0,2,0|2,0,0]=4 433 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [0,0,0,0,2,0|1,0,0]=3 434 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,0,0,0,2,0|0,0,2]=4 435 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,0,0,0,2,0|1,1,0]=4 436 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [0,0,0,0,2,0|0,0,1]=3 437 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [0,0,0,0,2,0|1,0,0]=3 438 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,0,0,2,0|1,0,1]=4 439 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,0,0,0,2,0|1,0,1]=4 440 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 7037AE [0,0,0,0,0,2|0,0,2]=4 441 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5293AE [0,0,0,0,0,2|0,0,2]=4