0 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,0,0,0,0,0|3,1,0]=4 11 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,0,0,0,0,0|1,0,1]=2 18 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,0,0,0,0|2,1,0]=4 27 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.14 OCC1=CC(=C(C(=N1)Br)O)I ADE000195 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.277 OCC1=C(C=C(C(=C1)F)F)Cl R701734 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.277 OCC1=C(C=C(C(=N1)Cl)O)Cl ADE000182 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.278 OCC1=CC=C(C(=C1F)F)F CDS003044 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,1,0,0,0,0|2,1,0]=4 65 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [0,1,0,0,0,0|0,0,2]=3 68 B11R1.279 COC1=COC(=CC1=O)CCl L308021 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.279 COC1=COC(=CC1=O)CO S231703 [0,1,0,0,0,0|0,0,0]=1 70 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 OCC1=CC=CN=N1 CDS015970 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.14 OCC1=C(C(=C(C(=N1)Cl)O)I)Cl ADE000194 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.300 O=C1C=C(OC(=C1O)CO)CO PH011414 [0,2,0,0,0,0|0,0,0]=2 114 B12R1.1005 CC1=C(C(=O)C=C(O1)C(=O)O)C T310166 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.56 CC(C)C1=CC(=C(C=C1)O)C=O ASX00021 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [0,2,0,0,0,0|0,0,1]=3 117 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.288 COCC1=CC(=O)C(=CO1)OC L307726 [0,2,0,0,0,0|0,0,0]=2 121 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.114 CCOC1=COC(=CC1=O)CO PH004619 [0,2,0,0,0,0|0,0,0]=2 123 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.1 CC1=CC(=CS1)CO TMT00554 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [1,0,0,0,1,0|1,1,0]=4 126 B8R1.1 OCC1=CC=C(S1)F PHB00247 [1,0,0,0,1,0|1,1,0]=4 127 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [1,0,0,0,1,0|1,1,0]=4 128 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [1,0,0,0,1,0|1,0,1]=4