0 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [0,0,0,0,0,0|0,0,0]=0 1 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [0,0,0,0,0,0|1,0,0]=1 2 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [0,0,0,0,0,0|1,0,0]=1 3 B10R2.7 C1=NC=NC2=C1NC=N2 C15587 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,1,0,0,0,0|0,0,0]=1 5 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,1,0,0,0,0|0,0,0]=1 6 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [0,1,0,0,0,0|1,0,1]=3 7 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,1,0,0,0,0|0,0,0]=1 8 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,1,0,0,0,0|1,0,2]=4 9 B11R2.10 NC1=NC2=C(C=CC=C2)N1 C10901 [0,1,0,0,0,0|1,0,0]=2 10 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [0,1,0,0,0,0|0,0,1]=2 11 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [0,1,0,0,0,0|1,0,1]=3 12 B11R2.10 SC1=NC2=C(C=CC=C2)S1 C14437 [0,1,0,0,0,0|1,0,1]=3 13 B11R2.36 ClC1=CC=C2C=CNC2=C1 C17089 [0,1,0,0,0,0|0,0,0]=1 14 B11R2.36 OC1=CC2=C(C=C1)NC=N2 C21764 [0,1,0,0,0,0|1,0,0]=2 15 B11R2.36 OC1=CC=C2OCOC2=C1 C10832 [0,1,0,0,0,0|2,0,1]=4 16 B11R2.106 NC1=NC=NC2=C1N=CN2 C00147 [0,1,0,0,0,0|3,0,0]=4 17 B11R2.106 O=C1NC=NC2=C1N=CN2 C00262 [0,1,0,0,0,0|3,0,0]=4 18 B11R2.106 OC1=C2C=CNC2=CC=C1 C02040 [0,1,0,0,0,0|0,0,0]=1 19 B11R2.106 S=C1N=CNC2=C1NC=N2 C02380 [0,1,0,0,0,0|3,0,0]=4 20 B11R2.106 SC1=NC=NC2=C1NC=N2 C01756 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.8 CCNC1=CC=CC=C1 C14455 [0,0,1,0,0,0|0,0,2]=3 22 B9R1.8 N#CCC1=CC=CC=C1 C16074 [0,0,1,0,0,0|0,0,3]=4 23 B9R1.8 NCCC1=CC=CC=C1 C05332 [0,0,1,0,0,0|0,0,2]=3 24 B9R1.8 O=CCC1=CC=CC=C1 C00601 [0,0,1,0,0,0|1,0,1]=3 25 B9R1.8 OCCC1=CC=CC=C1 C05853 [0,0,1,0,0,0|1,0,2]=4 26 B9R1.15 CC1=C(C=O)C=CC=C1 C07214 [0,0,1,0,0,0|2,0,0]=3 27 B9R1.15 CC1=C(CO)C=CC=C1 C07213 [0,0,1,0,0,0|2,0,1]=4 28 B9R1.15 CCC1=C(C)C=CC=C1 C14572 [0,0,1,0,0,0|1,0,2]=4 29 B9R1.15 CCC1=CC=CC=C1O C14385 [0,0,1,0,0,0|1,0,2]=4 30 B9R1.15 COC1=C(N)C=CC=C1 C19191 [0,0,1,0,0,0|1,0,1]=3 31 B9R1.15 COC1=CC=CC=C1I C03575 [0,0,1,0,0,0|2,0,1]=4 32 B9R1.15 COC1=CC=CC=C1O C01502 [0,0,1,0,0,0|2,0,1]=4 33 B9R1.15 COC1=CC=CC=C1O C15572 [0,0,1,0,0,0|2,0,1]=4 34 B9R1.15 NNC1=C(Cl)C=CC=C1 C11582 [0,0,1,0,0,0|2,0,0]=3 35 B9R1.15 O=CC1=C(O)C=CC=C1 C06202 [0,0,1,0,0,0|2,0,0]=3 36 B9R1.15 OCC1=CC=CC=C1O C02323 [0,0,1,0,0,0|2,0,1]=4 37 B11R2.18 C1=CC=C2C=CC=C2C=C1 C13392 [0,0,0,0,0,1|1,0,0]=2 38 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 C00829 [0,0,0,0,0,1|1,0,0]=2 39 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 C06323 [0,0,0,0,0,1|0,0,1]=2 40 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 C06413 [0,0,0,0,0,1|0,0,1]=2 41 B11R2.20 C1=CC2=NC=CN=C2C=C1 C18575 [0,0,0,0,0,1|0,0,1]=2 42 B11R2.20 C1=CC=C2CCCCC2=C1 C14114 [0,0,0,0,0,1|1,0,2]=4 43 B11R2.20 C1=NC=NC2=C1N=CC=N2 C07581 [0,0,0,0,0,1|2,0,1]=4 44 B8R1.2 C=CC1=CC=CC=C1 C07083 [1,0,1,0,0,0|0,0,0]=2 45 B8R1.2 C=CC1=CC=CC=C1 C19506 [1,0,1,0,0,0|0,0,0]=2 46 B8R1.2 C=CC1=CC=CC=C1 C19573 [1,0,1,0,0,0|0,0,0]=2 47 B8R1.2 C=CC1=CC=CC=C1 C19575 [1,0,1,0,0,0|0,0,0]=2 48 B8R1.2 CCC1=CC=CC=C1 C07111 [1,0,1,0,0,0|0,0,2]=4 49 B8R1.2 CNC1=CC=CC=C1 C02299 [1,0,1,0,0,0|0,0,1]=3 50 B8R1.2 COC1=CC=CC=C1 C01403 [1,0,1,0,0,0|1,0,1]=4 51 B8R1.2 ClCC1=CC=CC=C1 C19167 [1,0,1,0,0,0|1,0,1]=4 52 B8R1.2 N#CC1=CC=CC=C1 C09814 [1,0,1,0,0,0|0,0,2]=4 53 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [1,0,1,0,0,0|1,0,1]=4 54 B8R1.2 NCC1=CC=CC=C1 C15562 [1,0,1,0,0,0|0,0,1]=3 55 B8R1.2 NCC1=CC=CC=N1 C17926 [1,0,1,0,0,0|1,0,1]=4 56 B8R1.2 NNC1=CC=CC=C1 C02304 [1,0,1,0,0,0|1,0,0]=3 57 B8R1.2 O=CC1=CC=CC=C1 C00193 [1,0,1,0,0,0|1,0,0]=3 58 B8R1.2 O=CC1=CC=CC=C1 C00261 [1,0,1,0,0,0|1,0,0]=3 59 B8R1.2 O=CC1=CN=CC=C1 C07327 [1,0,1,0,0,0|2,0,0]=4 60 B8R1.2 O=NC1=CC=CC=C1 C06876 [1,0,1,0,0,0|1,0,1]=4 61 B8R1.2 OCC1=CC=CC=C1 C00556 [1,0,1,0,0,0|1,0,1]=4 62 B8R1.2 OCC1=CC=CC=C1 C03485 [1,0,1,0,0,0|1,0,1]=4 63 B8R1.2 ONC1=CC=CC=C1 C02720 [1,0,1,0,0,0|1,0,0]=3 64 B8R1.5 CC1=C(C)C=CC=C1 C07212 [1,0,1,0,0,0|0,0,2]=4 65 B8R1.5 CC1=C(N)C=CC=C1 C14403 [1,0,1,0,0,0|0,0,1]=3 66 B8R1.5 CC1=CC=CC=C1O C01542 [1,0,1,0,0,0|1,0,1]=4 67 B8R1.5 ClC1=C(Cl)C=CC=C1 C14328 [1,0,1,0,0,0|2,0,0]=4 68 B8R1.5 N=C1C=CC=CC1=O C17500 [1,0,1,0,0,0|1,0,1]=4 69 B8R1.5 NC1=C(F)C=CC=C1 C11010 [1,0,1,0,0,0|1,0,0]=3 70 B8R1.5 NC1=C(N)C=CC=C1 C14402 [1,0,1,0,0,0|1,0,0]=3 71 B8R1.5 NC1=CC=CC=C1O C01987 [1,0,1,0,0,0|1,0,0]=3 72 B8R1.5 O=C1C=CC=CC1=O C02351 [1,0,1,0,0,0|2,0,0]=4 73 B8R1.5 OC1=C(Br)C=CC=C1 C14841 [1,0,1,0,0,0|2,0,0]=4 74 B8R1.5 OC1=C(O)C=CC=C1 C01785 [1,0,1,0,0,0|2,0,0]=4 75 B8R1.5 OC1=CC=CC=C1Cl C14219 [1,0,1,0,0,0|2,0,0]=4 76 B8R1.5 OC1=CC=CC=C1I C01874 [1,0,1,0,0,0|2,0,0]=4 77 B8R1.5 OC1=CC=CC=C1O C00090 [1,0,1,0,0,0|2,0,0]=4 78 B8R1.5 OC1=CC=CC=C1O C15571 [1,0,1,0,0,0|2,0,0]=4 79 B8R1.5 [O]C1=C(O)C=CC=C1 C05060 [1,0,1,0,0,0|2,0,0]=4 80 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [0,1,1,0,0,0|1,0,0]=3 81 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [0,1,1,0,0,0|1,0,0]=3 82 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [0,1,1,0,0,0|0,0,2]=4 83 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [0,1,1,0,0,0|1,0,1]=4 84 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [0,1,1,0,0,0|1,0,0]=3 85 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [0,1,1,0,0,0|2,0,0]=4 86 B10R1.15 N#CC(=O)C1=CC=CC=C1 C21329 [0,1,1,0,0,0|0,0,2]=4 87 B10R1.15 NC(=S=O)C1=CC=CC=C1 C16283 [0,1,1,0,0,0|2,0,0]=4 88 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [0,1,1,0,0,0|0,0,2]=4 89 B10R1.15 NNC(=O)C1=CC=NC=C1 C07054 [0,1,1,0,0,0|2,0,0]=4 90 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [0,1,1,0,0,0|1,0,1]=4 91 B10R1.17 NNCCC1=CC=CC=C1 C07430 [0,1,1,0,0,0|0,0,2]=4 92 B10R1.17 NNCCC1=CC=CC=C1 C07431 [0,1,1,0,0,0|0,0,2]=4 93 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [0,1,1,0,0,0|1,0,0]=3 94 B10R1.17 O=COCC1=CC=CC=C1 C05613 [0,1,1,0,0,0|1,0,1]=4 95 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [0,1,1,0,0,0|1,0,0]=3 96 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [0,1,1,0,0,0|1,0,0]=3 97 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [0,1,1,0,0,0|0,0,2]=4 98 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [0,1,1,0,0,0|0,0,2]=4 99 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [0,1,1,0,0,0|1,0,1]=4 100 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [0,1,1,0,0,0|0,0,1]=3 101 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [0,1,1,0,0,0|1,0,1]=4 102 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [0,1,1,0,0,0|1,0,1]=4 103 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [0,1,1,0,0,0|0,0,2]=4 104 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [0,1,1,0,0,0|0,0,2]=4 105 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [0,1,1,0,0,0|0,0,1]=3 106 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [0,1,1,0,0,0|1,0,1]=4 107 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [0,1,1,0,0,0|1,0,1]=4 108 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [0,1,1,0,0,0|1,0,0]=3 109 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [0,1,1,0,0,0|1,0,0]=3 110 B10R1.66 O=C(O)\C=C\C1=CNC=N1 C00785 [0,1,1,0,0,0|2,0,0]=4 111 B10R1.2 C=CC1=CC=CC(O)=C1O C07085 [0,1,1,0,0,0|1,0,0]=3 112 B10R1.2 CC1=C(O)C(C=O)=CC=C1 C14087 [0,1,1,0,0,0|2,0,0]=4 113 B10R1.25 COC1=C(N)C=C(C)C=C1 C19216 [0,1,1,0,0,0|1,0,1]=4 114 B10R1.25 COC1=C(N)C=C(N)C=C1 C19218 [0,1,1,0,0,0|1,0,1]=4 115 B10R1.30 O=CC1=C(O)C=CC(O)=C1 C05585 [0,1,1,0,0,0|2,0,0]=4 116 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [0,1,1,0,0,0|2,0,0]=4 117 B10R1.61 NC1=CC=CC=C1C(=O)O C00108 [0,1,1,0,0,0|1,0,0]=3 118 B10R1.61 O=C(O)C1=CC=CC=C1Cl C02357 [0,1,1,0,0,0|2,0,0]=4 119 B10R1.61 O=C(O)C1=CC=CC=C1F C02359 [0,1,1,0,0,0|2,0,0]=4 120 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [0,1,1,0,0,0|2,0,0]=4 121 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [0,1,1,0,0,0|2,0,0]=4 122 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 C08171 [0,1,1,0,0,0|2,0,0]=4 123 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [0,1,0,0,0,1|1,0,0]=3 124 B12R2.24 NC1=CC=C2C=CC=CC2=C1 C02227 [0,1,0,0,0,1|1,0,0]=3 125 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,1,0,0,0,1|0,0,0]=2 126 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,1,0,0,0,1|1,0,0]=3 127 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,1,0,0,0,1|1,0,1]=4 128 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,1,0,0,0,1|1,0,1]=4 129 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [0,1,0,0,0,1|1,0,0]=3 130 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [0,1,0,0,0,1|0,0,1]=3 131 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 C14082 [0,1,0,0,0,1|1,0,0]=3 132 B12R2.1081 NC1=CC=CC2=CC=CC=C12 C14790 [0,1,0,0,0,1|1,0,0]=3 133 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 C06324 [0,1,0,0,0,1|0,0,0]=2 134 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 C14473 [0,1,0,0,0,1|1,0,0]=3 135 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C18478 [0,1,0,0,0,1|0,0,1]=3 136 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C19434 [0,1,0,0,0,1|0,0,1]=3 137 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 C11714 [0,1,0,0,0,1|1,0,0]=3 138 B12R2.1081 OC1=CC=NC2=C1C=CC=C2 C06343 [0,1,0,0,0,1|0,0,1]=3 139 B12R2.1081 [O-]C1=CC=CC2=C1N=CC=C2 C18879 [0,1,0,0,0,1|0,0,1]=3 140 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [0,2,0,0,0,0|0,0,0]=2 141 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,2,0,0,0,0|0,0,0]=2 142 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 C02796 [0,2,0,0,0,0|0,0,0]=2 143 B12R2.18 CC1C(=O)NC2=CC=CC=C21 C02366 [0,2,0,0,0,0|0,0,1]=3 144 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [0,2,0,0,0,0|0,0,0]=2 145 B12R2.18 O=C1NC2=C(C=CC=C2)C1O C11130 [0,2,0,0,0,0|0,0,1]=3 146 B12R2.18 OC1=C(O)C2=CC=CC=C2N1 C02775 [0,2,0,0,0,0|0,0,0]=2 147 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,2,0,0,0,0|1,0,1]=4 148 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 C10910 [0,2,0,0,0,0|1,0,1]=4 149 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 C14639 [0,2,0,0,0,0|1,0,1]=4 150 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 C13841 [0,2,0,0,0,0|1,0,1]=4 151 B12R2.606 OC1=NC2=C(C=CC(Cl)=C2)O1 C07931 [0,2,0,0,0,0|1,0,1]=4 152 B12R2.100 CC1=C(C)C=C2NC=NC2=C1 C03114 [0,2,0,0,0,0|1,0,0]=3 153 B12R2.100 O=C1C=C2C=CNC2=CC1=O C05579 [0,2,0,0,0,0|0,0,0]=2 154 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 C05578 [0,2,0,0,0,0|0,0,0]=2 155 B12R2.100 OC1=C(O)C=C2NCCC2=C1 C17756 [0,2,0,0,0,0|0,0,2]=4