0 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [0,0,0,0,0,0|1,1,1]=3 1 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [0,0,0,0,0,0|1,1,1]=3 2 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [0,0,0,0,0,0|1,1,1]=3 4 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [1,0,0,0,0,0|1,1,1]=4 7 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.196 CC1=C2NC=C(Br)C2=CC=C1 8324 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.196 CC1=NNC2=C(F)C=CC=C12 28046 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.196 CN1C=CC2=C(N)C=CC=C21 9377 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.196 CN1C=NC2=C1C=CC=C2Br 28934 [1,0,0,0,0,0|1,1,1]=4 14 B12R2.196 ClC1=C2NC=C(Br)C2=CC=C1 7965 [1,0,0,0,0,0|2,1,0]=4 15 B12R2.196 FC1=C2NN=C(Br)C2=CC=C1 33032 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.196 FC1=C2NN=C(I)C2=CC=C1 33033 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.202 CC1=C2NC(=O)NC2=NC=C1 18670 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 9379 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.202 CC1=CC=CC2=C1NC(=O)S2 21873 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.202 FC1=CC=CC2=C1N=C(Cl)S2 21813 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.202 NC1=NC2=C(C=CC=C2F)S1 21849 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.202 NC1=NC2=C(S1)C(F)=CC=C2 28930 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 7952 [1,0,0,0,0,0|1,1,0]=3 24 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 15482 [1,0,0,0,0,0|2,1,0]=4 25 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 18017 [1,0,0,0,0,0|2,1,0]=4 26 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 8934 [1,0,0,0,0,0|1,1,0]=3 27 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 18014 [1,0,0,0,0,0|2,1,0]=4 28 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 8305 [1,0,0,0,0,0|1,1,0]=3 29 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 18006 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 8552 [1,0,0,0,0,0|1,0,0]=2 31 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 21835 [1,0,0,0,0,0|1,1,0]=3 32 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 21838 [1,0,0,0,0,0|1,0,0]=2 33 B12R2.202 O=C1NC2=NC=NC(Cl)=C2N1 34409 [1,0,0,0,0,0|2,1,0]=4 34 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 19276 [1,0,0,0,0,0|2,1,0]=4 35 B14R2.8620 CC1=C2C(=O)C(=O)NC2=C(F)C=C1 29126 [0,1,0,0,0,0|1,0,1]=3 36 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Br)C=C1 13603 [0,1,0,0,0,0|2,0,1]=4 37 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Cl)C=C1 29243 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(F)C=C1 29121 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O 20357 [0,1,0,0,0,0|1,1,1]=4 40 B14R2.8620 O=C1NC2=C(F)C=CC(F)=C2C1=O 15260 [0,1,0,0,0,0|1,0,1]=3 41 B14R2.8737 CC1=C2NC(=O)C(=O)C2=CC=C1F 29125 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 17138 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 29127 [0,1,0,0,0,0|1,0,1]=3 44 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 13601 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 29123 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.9184 CC1=CC(Br)=C2NC(=O)C(=O)C2=C1 7944 [0,1,0,0,0,0|1,1,1]=4 47 B14R2.9184 CC1=CC(F)=C2NC(=O)C(=O)C2=C1 17970 [0,1,0,0,0,0|1,0,1]=3 48 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 22561 [0,1,0,0,0,0|1,1,1]=4 49 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 27688 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 15517 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F 28931 [0,0,1,0,0,0|1,0,1]=3 52 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 44765 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 25302 [0,0,1,0,0,0|2,1,0]=4 54 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 25304 [0,0,1,0,0,0|2,1,0]=4 55 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 8396 [0,0,1,0,0,0|2,0,0]=3 56 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 34667 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.159 CC1=C(C(=O)O)C=CC=C1F 1329 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.159 CC1=CC=CC(C(=O)O)=C1N 4950 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.159 NC(=O)C1=C(N)C(F)=CC=C1 28768 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br 9022 [1,0,1,0,0,0|1,1,0]=4 61 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl 4639 [1,0,1,0,0,0|1,1,0]=4 62 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 1356 [1,0,1,0,0,0|1,0,0]=3 63 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 30459 [1,0,1,0,0,0|1,0,0]=3 64 B11R1.159 NC1=C(C(=O)O)C=CC=C1I 22551 [1,0,1,0,0,0|1,1,0]=4 65 B11R1.159 NC1=C(F)C=CC=C1[N+](=O)[O-] 4472 [1,0,1,0,0,0|0,0,2]=4 66 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 22539 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 3145 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 1319 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 1369 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 1379 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.159 O=C(O)C1=C(I)C(F)=CC=C1 1387 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 4960 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [1,0,1,0,0,0|1,1,0]=4 81 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 14268 [1,0,1,0,0,0|0,2,0]=4 84 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [1,0,1,0,0,0|1,1,0]=4 88 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [1,0,1,0,0,0|2,0,0]=4 90 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 14267 [1,0,1,0,0,0|0,2,0]=4 95 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [1,0,1,0,0,0|1,1,0]=4 96 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [1,0,1,0,0,0|1,1,0]=4 97 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [1,0,1,0,0,0|1,0,0]=3 98 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [1,0,1,0,0,0|1,1,0]=4 99 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.265 COC1=CC=CC(F)=C1C=O 8486 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.265 N#CC1=C(C=O)C(F)=CC=C1 4189 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.265 O=CC1=CC=CC(F)=C1C=O 24180 [1,0,1,0,0,0|1,0,1]=4 103 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [2,0,0,0,0,0|2,0,0]=4 105 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [2,0,0,0,0,0|2,0,0]=4 106 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [2,0,0,0,0,0|1,0,1]=4 107 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [2,0,0,0,0,0|2,0,0]=4 108 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [2,0,0,0,0,0|1,0,0]=3 109 B11R2.1 ON1N=NC2=C1C=CC=C2 12739 [2,0,0,0,0,0|1,0,1]=4 110 B11R2.1 ON1N=NC2=C1C=CC=C2 35769 [2,0,0,0,0,0|1,0,1]=4 111 B11R2.1 ON1N=NC2=C1C=CC=C2 9767 [2,0,0,0,0,0|1,0,1]=4 112 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 16113 [2,0,0,0,0,0|1,0,1]=4 113 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [2,0,0,0,0,0|2,0,0]=4 114 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [2,0,0,0,0,0|1,0,1]=4 115 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 7598 [2,0,0,0,0,0|1,0,1]=4 116 B11R2.10 FC1=NC2=C(C=CC=C2)N1 13608 [2,0,0,0,0,0|1,0,1]=4 117 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [2,0,0,0,0,0|1,0,1]=4 118 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [2,0,0,0,0,0|2,0,0]=4 119 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [2,0,0,0,0,0|2,0,0]=4 120 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [2,0,0,0,0,0|1,0,0]=3 121 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [2,0,0,0,0,0|2,0,0]=4 122 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [2,0,0,0,0,0|2,0,0]=4 123 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [2,0,0,0,0,0|1,0,0]=3 124 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [2,0,0,0,0,0|1,0,0]=3 125 B11R2.10 O=C1NC2=CC=CN=C2N1 18669 [2,0,0,0,0,0|1,0,0]=3 126 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [2,0,0,0,0,0|2,0,0]=4 127 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [2,0,0,0,0,0|0,0,2]=4 128 B11R2.10 SC1=NC2=C(C=CC=C2)N1 13567 [2,0,0,0,0,0|0,1,1]=4 129 B11R2.106 BrC1=C2C=CNC2=CC=C1 7449 [2,0,0,0,0,0|1,1,0]=4 130 B11R2.106 BrC1=C2NC=CC2=CC=C1 7318 [2,0,0,0,0,0|1,1,0]=4 131 B11R2.106 CC1=C2C=CNC2=CC=C1 7233 [2,0,0,0,0,0|2,0,0]=4 132 B11R2.106 CC1=C2NC=CC2=CC=C1 7243 [2,0,0,0,0,0|2,0,0]=4 133 B11R2.106 ClC1=C2C=CNC2=CC=C1 7232 [2,0,0,0,0,0|1,1,0]=4 134 B11R2.106 ClC1=C2NC=CC2=CC=C1 3195 [2,0,0,0,0,0|1,1,0]=4 135 B11R2.106 FC1=C2C=CNC2=CC=C1 7297 [2,0,0,0,0,0|1,0,0]=3 136 B11R2.106 FC1=C2C=CNC2=NC=C1 19337 [2,0,0,0,0,0|2,0,0]=4 137 B11R2.106 FC1=C2CCNC2=CC=C1 16911 [2,0,0,0,0,0|1,0,1]=4 138 B11R2.106 FC1=C2NC=CC2=CC=C1 7294 [2,0,0,0,0,0|1,0,0]=3 139 B11R2.106 FC1=C2NN=CC2=CC=C1 34733 [2,0,0,0,0,0|2,0,0]=4 140 B11R2.106 FC1=CC=CC2=C1C=CO2 15663 [2,0,0,0,0,0|2,0,0]=4 141 B11R2.106 FC1=CC=CC2=C1C=CS2 28000 [2,0,0,0,0,0|2,0,0]=4 142 B11R2.106 FC1=CC=CC2=C1OC=C2 28023 [2,0,0,0,0,0|2,0,0]=4 143 B11R2.106 FC1=CC=CC2=C1SC=C2 32445 [2,0,0,0,0,0|2,0,0]=4 144 B11R2.106 NC1=C2C=CNC2=CC=C1 7310 [2,0,0,0,0,0|2,0,0]=4 145 B11R2.106 NC1=CC=CC2=C1NC=N2 8065 [2,0,0,0,0,0|1,0,1]=4 146 B11R2.106 OC1=C2C=CNC2=CC=C1 7262 [2,0,0,0,0,0|2,0,0]=4 147 B11R2.106 OC1=C2NC=CC2=CC=C1 7345 [2,0,0,0,0,0|2,0,0]=4 148 B13R1.2679 O=C(CCl)NC1=C(F)C=C(F)C=C1 8395 [0,1,1,0,0,0|2,0,0]=4 149 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 16250 [1,1,0,0,0,0|1,0,1]=4 150 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 13606 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 1666 [1,1,0,0,0,0|1,0,1]=4 152 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 13607 [1,1,0,0,0,0|1,0,1]=4 153 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 1685 [1,1,0,0,0,0|1,0,1]=4 154 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 15509 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O 3903 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O 13911 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O 29201 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O 13996 [1,1,0,0,0,0|1,0,1]=4 159 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O 20320 [1,1,0,0,0,0|1,0,1]=4 160 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 21842 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.581 N#CC1=C2NC(=O)CC2=CC=C1 7328 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.3050 CC1=CC2=C(F)C(F)=CC=C2N1 9373 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.3050 CC1=CC2=C(F)C(O)=CC=C2N1 15257 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.3050 CC1=NC2=C(N1)C(F)=C(F)C=C2 6523 [1,1,0,0,0,0|1,0,1]=4 165 B13R2.3050 O=C1CC2=C(F)C(F)=CC=C2N1 7166 [1,1,0,0,0,0|1,0,0]=3 166 B13R2.5397 O=C1CC2=C(F)C=C(F)C=C2N1 1678 [1,1,0,0,0,0|1,0,0]=3 167 B15R2.6574 O=C1NC2=C(Cl)C(Cl)=CC=C2\C1=N/O 34021 [0,2,0,0,0,0|1,1,0]=4 168 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 27628 [0,0,1,1,0,0|1,0,0]=3 169 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 15912 [1,0,0,0,0,1|2,0,0]=4 170 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 8693 [1,0,0,0,0,1|2,0,0]=4 171 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [1,0,0,0,0,1|1,0,1]=4