0 B10R1.20 COC1=CC=CC=C1C=O HY-77995 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.20 COC1=CC=CC=C1OC HY-B1812 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.20 O=CC1=CC=CC=C1C=O HY-W012669 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 C#CC1=CC=CC=C1Cl HY-W002586 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.15 CC1=CC=CC=C1C=O HY-Y0442 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 COC1=C(C)C=CC=C1 HY-W027751 [1,0,0,0,0,0|0,0,1]=2 7 B9R1.15 COC1=CC=CC=C1O HY-B2115 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.15 COC1=CC=CC=C1O HY-N1380 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.15 COC1=CC=CC=C1O HY-N1380R [1,0,0,0,0,0|1,0,0]=2 10 B9R1.15 COC1=NC=CC=C1Br HY-32755 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 N#CC1=CC=CC=C1O HY-W012869 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.15 NC1=C(C=O)C=CC=N1 HY-75813 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 NC1=CC=CC=C1CO HY-W004705 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 NCC1=CC=CC=C1O HY-34350 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.15 O=CC1=CC=CC=C1I HY-W007846 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 O=CC1=CC=CN=C1Cl HY-32791 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 O=CC1=NC=CC=C1F HY-W001028 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 OCC1=CC=CC=C1I HY-W004678 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.37 COC1=CC=C(F)C=C1C=O HY-W005085 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.37 COC1=CC=C(O)C=C1OC HY-N1780 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] HY-Z0129 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.53 COC1=C(B(O)O)C=CC=C1 HY-W002569 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.53 COC1=CC=CC=C1C(=O)O HY-N1393 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.53 COC1=NC=CC=C1B(O)O HY-32956 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.53 O=C(O)C1=CC=CC=C1CO HY-W019358 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.53 O=CC1=CC=CC=C1C(=O)O HY-Y1771 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.265 COC1=C(C#N)C(=O)NC=C1 HY-65008 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.265 COC1=C(OC)C(C)=NC=C1 HY-W106075 [0,1,0,0,0,0|2,0,1]=4 30 B11R2.1 CC1=CNC2=CC=CC=C12 HY-W007355 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.1 CC1=CNC2=CC=CC=C12 HY-W007355R [0,0,0,1,0,0|2,0,0]=3 32 B11R2.1 CN1C=CC2=C1C=CC=C2 HY-Y1162 [0,0,0,1,0,0|1,0,0]=2 33 B11R2.1 ClC1=CNC2=C1C=CC=C2 HY-65119 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.1 O=C1CCC2=C1C=CC=C2 HY-W004333 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.1 O=C1NCC2=C1C=CC=C2 HY-W004767 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.1 O=C1NSC2=C1C=CC=C2 HY-W017401 [0,0,0,1,0,0|2,1,0]=4 37 B11R2.1 O=C1OCC2=CC=CC=C12 HY-W015820 [0,0,0,1,0,0|3,0,0]=4 38 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 HY-W012732 [0,0,0,1,0,0|2,0,0]=3 39 B11R2.20 C1=CC=C2C=NN=CC2=C1 HY-W002016 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 COC1=CC=NC=C1 HY-W007634 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.2 COC1=CN=CC=C1 HY-W008119 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 COC1=CN=CC=N1 HY-W010562 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 NCC1=CC=CC=C1 HY-76253 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [2,0,0,0,0,0|1,0,1]=4 48 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 CC1=NC=CC=C1O HY-W002339 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.5 FC1=CC=CC=C1I HY-34673 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.5 NC1=CC=CC=C1I HY-W007318 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 O=C1C=COC=C1O HY-N1997 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.5 OC1=CC=CN=C1Br HY-20026 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 ON1C=CC=CC1=S HY-B1747 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [1,1,0,0,0,0|0,0,2]=4 61 B10R1.4 CCOC1=CC=CC=C1O HY-W022036 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.4 C[N+]1=CC=CC=C1\C=N\O HY-B1200 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.4 C[N+]1=CC=CC=C1\C=N\O HY-B1738A [1,1,0,0,0,0|2,0,0]=4 64 B10R1.4 O\N=C\C1=CC=CC=C1O HY-D0216 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.25 CC1=CC(Cl)=CC=C1[N+]#N HY-D1490 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.25 CC1=CC=C(C=O)C(O)=C1 HY-W007888 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.25 CCC1=C(O)C=C(O)C=C1 HY-W015782 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.25 COC1=CC=C(F)C=C1Br HY-W001094 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.25 O=CC1=C(F)C=C(F)C=C1 HY-W007410 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.25 O=CC1=CC=C(Br)C=C1O HY-W001114 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.25 O=CC1=CC=C(O)C=C1O HY-W007539 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.30 COC1=CC(Br)=CC=C1N HY-50822 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.30 COC1=CC(Br)=CC=C1O HY-W007865 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.30 COC1=CC(C)=CC=C1O HY-W040971 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.30 COC1=CC(Cl)=CC=C1O HY-W039169 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.30 O=CC1=CC(Br)=CC=C1F HY-I0561 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.30 O=CC1=CC(F)=CC=C1O HY-W007331 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.30 O=CC1=CC(O)=CC=C1Br HY-W007430 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.61 CC(=O)C1=CC=CC=C1Br HY-W007689 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.61 CC(=O)C1=CC=CC=C1F HY-Y1133 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501R [1,1,0,0,0,0|1,0,1]=4 82 B10R1.61 CC(=O)C1=CC=CC=C1O HY-Y1426 [1,1,0,0,0,0|0,0,1]=3 83 B10R1.61 CC1=C(B(O)O)C=CC=C1 HY-W001232 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.61 CC1=CC=CC=C1C(=O)O HY-41494 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.61 NC(=O)C1=CC=CC=C1O HY-B0811 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.61 O=C(O)C1=C(S)C=CC=C1 HY-Y0102 [1,1,0,0,0,0|1,1,0]=4 87 B10R1.61 O=C(O)C1=CC=CC=C1F HY-Y1115 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.61 O=C(O)C1=CC=CC=C1I HY-77433 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167R [1,1,0,0,0,0|1,0,0]=3 91 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030A [1,1,0,0,0,0|2,0,0]=4 93 B10R1.61 OB(O)C1=CC=CC=C1O HY-W002733 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.46 COC1=CC=C(C)C=C1[N+](=O)[O-] HY-78878 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.46 COC1=CC=C(F)C=C1B(O)O HY-32924 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.57 COC1=C(C(C)C)C=CC(C)=C1 HY-W290527 [0,2,0,0,0,0|0,0,2]=4 97 B12R1.57 COC1=CC(Cl)=CC=C1B(O)O HY-41551 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.78 COC1=CC(OC)=C(CO)C=C1 HY-W007584 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.78 COC1=CC=C(C=O)C=C1OC HY-N1096 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.78 COC1=CC=C(CO)C=C1OC HY-107858 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.448 COC1=C(OC)C=C(N)C(N)=C1 HY-77873 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.448 COC1=C(OC)C=C(N)C(N)=C1 HY-W097960 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.448 [2H]C1=CC(OC)=C(OC)C=C1[2H] HY-B1812S1 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.77 CNC1=CC=CC=C1C(=O)OC HY-76705 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.77 COC1=CC=CC=C1C(=O)CBr HY-W012267 [0,2,0,0,0,0|0,0,1]=3 106 B12R1.121 COC1=C(OCCN)C=CC=C1 HY-107847 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.121 COC1=CC=CC=C1\C=C\C=O HY-W046353 [0,2,0,0,0,0|0,0,0]=2 108 B12R1.283 CCOC1=CC=CC=C1C(N)=O HY-B1428 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.76 [2H]C([2H])([2H])C1=CC=CC=C1OC HY-W027751S [0,2,0,0,0,0|1,0,1]=4 110 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 HY-N1717 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.437 COC1=CC=CC(F)=C1B(O)O HY-59289 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.1879 COC1=CC=CC(C=O)=C1OC HY-41407 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.1879 COC1=CC=CC(CO)=C1OC HY-Z0549 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.1879 COC1=CC=CC(OC)=C1C=O HY-W001249 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.1879 COC1=CC=CC(OC)=C1OC HY-W017092 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [0,0,1,1,0,0|2,0,0]=4 117 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [0,0,1,1,0,0|2,0,0]=4 118 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [0,0,1,1,0,0|2,0,0]=4 119 B10R1.15 O=C(O[K])C1=CC=CC=C1 HY-W103932 [0,0,1,1,0,0|2,0,0]=4 120 B10R1.15 O=C(O[Na])C1=CC=CC=C1 HY-Y1316 [0,0,1,1,0,0|2,0,0]=4 121 B10R1.15 [Li]OC(=O)C1=CC=CC=C1 HY-N0216A [0,0,1,1,0,0|2,0,0]=4 122 B10R1.172 COC1=CC(C=O)=CC=C1 HY-W007346 [0,0,1,1,0,0|1,0,0]=3 123 B10R1.172 COC1=CC=CC(OC)=C1 HY-34487 [0,0,1,1,0,0|1,0,1]=4 124 B10R2.7 C1=CC2=C(C=C1)NC=C2 HY-W001132 [1,0,0,1,0,0|1,0,0]=3 125 B10R2.7 C1=CC2=C(C=C1)NC=C2 HY-W001132R [1,0,0,1,0,0|1,0,0]=3 126 B10R2.7 C1=CC2=CN=CC=C2N1 HY-W002711 [1,0,0,1,0,0|2,0,0]=4 127 B10R2.7 C1=CC=C2NC=NC2=C1 HY-Y1825 [1,0,0,1,0,0|2,0,0]=4 128 B10R2.7 C1=CC=C2NN=CC2=C1 HY-40294 [1,0,0,1,0,0|2,0,0]=4 129 B10R2.7 C1=CC=C2OCCC2=C1 HY-75247 [1,0,0,1,0,0|0,0,1]=3 130 B10R2.7 C1=CC=C2ON=CC2=C1 HY-W103317 [1,0,0,1,0,0|1,0,0]=3 131 B10R2.7 C1=CC=C2SC=NC2=C1 HY-W012634 [1,0,0,1,0,0|1,1,0]=4 132 B10R2.7 C1=CN=C2C=CNC2=C1 HY-20362 [1,0,0,1,0,0|2,0,0]=4 133 B10R2.7 C1=CN=C2NC=CC2=C1 HY-50542 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 HY-69055 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 HY-W004432 [0,1,0,1,0,0|1,0,1]=4 136 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 HY-69092 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 HY-W007403 [0,1,0,1,0,0|1,0,1]=4 138 B12R2.24 BrC1=CC=C2OCCOC2=C1 HY-W002191 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 HY-124451 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.24 NC1=CC=C2N=CC=CC2=C1 HY-W007404 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.24 NC1=NC2=CC=CC=C2C=C1 HY-W007524 [0,1,0,1,0,0|1,0,1]=4 142 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709 [0,1,0,1,0,0|0,0,1]=3 143 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.24 OC1=CC=C2C=CC=CC2=C1 HY-Y0110 [0,1,0,1,0,0|1,0,1]=4 146 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 HY-40190 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.1 O=CC1=CNC2=CC=CC=C12 HY-W007376 [0,1,0,1,0,0|1,0,1]=4 148 B12R2.1 O=CC1=COC2=CC=CC=C12 HY-W004801 [0,1,0,1,0,0|0,0,1]=3 149 B12R2.1 O=CC1=CSC2=C1C=CC=C2 HY-W002251 [0,1,0,1,0,0|0,1,1]=4 150 B12R2.1 OCC1=CNC2=C1C=CC=C2 HY-N0170 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.315 COC1=C2C=CNC2=CC=C1 HY-59301 [0,1,0,1,0,0|0,0,0]=2 152 B12R2.315 COC1=CC=CC2=C1NC=C2 HY-W001536 [0,1,0,1,0,0|0,0,0]=2 153 B12R2.315 NCC1=CC=CC2=C1C=CN2 HY-W046161 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.315 O=CC1=C2C=CNC2=CC=C1 HY-W001288 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.315 O=CC1=CC=CC2=C1NC=C2 HY-W008013 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 HY-Y1119 [0,1,0,1,0,0|1,0,1]=4 157 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 HY-69089 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 HY-W007854 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 HY-W002559 [0,1,0,1,0,0|1,0,1]=4 160 B12R2.1081 BrC1=CN=CC2=C1C=CC=C2 HY-34490 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 HY-W007603 [0,1,0,1,0,0|1,0,1]=4 162 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 HY-32126 [0,1,0,1,0,0|1,0,1]=4 163 B12R2.1081 IC1=CC=CC2=C1C=CN=C2 HY-W021879 [0,1,0,1,0,0|2,0,0]=4 164 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 HY-W001604 [0,1,0,1,0,0|1,0,1]=4 165 B12R2.1081 NC1=CN=CC2=CC=CC=C12 HY-W008059 [0,1,0,1,0,0|2,0,0]=4 166 B12R2.1081 O=C1CCCC2=C1C=CC=C2 HY-76194A [0,1,0,1,0,0|1,0,1]=4 167 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 HY-W002014 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HY-Y1309 [0,1,0,1,0,0|1,0,1]=4 169 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 HY-32100 [0,1,0,1,0,0|1,0,1]=4 170 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 HY-B1005 [0,1,0,1,0,0|1,0,1]=4 171 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 HY-W012037 [0,1,0,1,0,0|1,0,1]=4 172 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 HY-W012037R [0,1,0,1,0,0|1,0,1]=4 173 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 HY-W008992 [0,1,0,1,0,0|1,0,1]=4 174 B12R2.1081 OC1=CC=CC2=CN=CC=C12 HY-W004721 [0,1,0,1,0,0|2,0,0]=4 175 B12R2.1081 OC1=CC=NC2=CC=CC=C12 HY-59208 [0,1,0,1,0,0|1,0,1]=4 176 B12R2.196 O=C1CCC2=C1C=CC=C2O HY-W001217 [0,1,0,1,0,0|2,0,0]=4