0 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.157 FC1=CC=CC(=C1)OC(F)F MNO000146 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,0,0,0,0,0|3,1,0]=4 16 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,0,0,0,0,0|1,1,1]=4 26 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,0|1,1,0]=3 44 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,1,0,0,0,0|2,1,0]=4 71 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [0,1,0,0,0,0|2,1,0]=4 72 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.101 CC(=O)NC1=CC(=CC(=C1)Cl)Cl R591645 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C S34860 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.101 O=C(Cl)CC1=CC(=CC(=C1)F)F PH014353 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)F L301000 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.119 CC1=CC(=CC=C1)OS(=O)(=O)N PH008063 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.119 CS(=O)(=O)NC1=CC(=CC=C1)Cl T100072 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.119 NS(=O)(=O)OC1=CC=CC(=C1)Cl PH008056 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.127 CC(=O)NC1=CC(=CC=[N+]1[O-])C PH009059 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.127 CC(=O)OC1=CC(=CN=C1I)Br ADE000446 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.127 CN(C)CC1=CC(=CC=C1Br)O CDS022289 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.127 N=C(N)SC1=C(C=CC(=C1)O)O PH012138 [0,1,0,0,0,0|2,1,0]=4 100 B12R1.224 CC(=O)NC1=C(C(=CN=C1)I)O ADE000683 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.224 CC(=O)NC1=C(C(=NC=C1)I)O ADE000680 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)Br)[O-] PH009399 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)C)[O-] PH009113 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.225 CC(=O)N(C)C1=CC=CC(=N1)Br CDS023643 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [0,1,0,0,0,0|0,0,1]=2 113 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.438 CC(=O)OC1=CC(=CC=C1)C#N S344893 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.438 CC(C)OC1=CC=CC(=C1)C=O CDS005989 [0,1,0,0,0,0|1,0,2]=4 117 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,1,0,0,0,0|1,1,0]=3 122 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [0,1,0,0,0,0|2,1,0]=4 125 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [0,1,0,0,0,0|2,1,0]=4 126 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,1,0,0,0,0|1,1,0]=3 128 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,0,0,1,0,0|2,0,1]=4 129 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,0,0,1,0,0|2,0,1]=4 130 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,0,0,1,0,0|2,1,0]=4 132 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,0,0,1,0,0|2,0,1]=4 133 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,0,0,1,0,0|2,1,0]=4 136 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,0,0,1,0,0|2,1,0]=4 137 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,1,0,0|2,0,1]=4 138 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,0,0,1,0,0|2,0,1]=4 141 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,0,0,1,0,0|1,0,1]=3 143 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,1,0,0|1,0,0]=2 145 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,0,0,1,0,0|2,1,0]=4 146 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,0,0,1,0,0|2,1,0]=4 147 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,0,0,1,0,0|2,1,0]=4 152 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,1,0,0|2,1,0]=4 156 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,1,0,0|1,1,0]=3 159 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 T272566 [0,0,0,0,1,0|0,0,3]=4 160 B10R1.64 CC(=O)OC1CCC=C1O PH001829 [0,0,0,0,1,0|0,0,3]=4 161 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,0,0,0,1,0|2,0,0]=3 162 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,0,0,0,1,0|2,0,0]=3 163 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,0,0,0,1,0|2,0,0]=3 164 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,0,0,0,1,0|2,0,1]=4 165 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,0,0,0,1,0|2,0,1]=4 166 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,0,0,0,1,0|1,0,1]=3 167 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,0,0,0,1,0|2,0,1]=4 168 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,0,0,0,1,0|2,0,1]=4 169 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,0,0,0,1,0|2,1,0]=4 170 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,0,0,0,1,0|3,0,0]=4 171 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,0,0,0,1,0|3,0,0]=4 172 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,0,0,0,1,0|3,0,0]=4 173 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,0,0,0,1,0|3,0,0]=4 174 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,0,0,0,1,0|3,0,0]=4 175 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,0,0,0,1,0|3,0,0]=4 176 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,0,0,0,1,0|3,0,0]=4 177 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,0,0,0,1,0|2,0,0]=3 178 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,0,0,0,1,0|3,0,0]=4 179 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,0,0,0,1,0|3,0,0]=4 180 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,0,0,0,1,0|2,0,0]=3 181 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,0,0,0,1,0|2,0,0]=3 182 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,0,0,0,1,0|3,0,0]=4 183 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,0,0,0,1,0|3,0,0]=4 184 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,0,0,0,1,0|3,0,0]=4 185 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,0,0,0,1,0|3,0,0]=4 186 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,0,0,0,1,0|3,0,0]=4 187 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,0,0,0,1,0|3,0,0]=4 188 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,0,0,0,1,0|3,0,0]=4 189 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,0,0,0,1,0|2,0,0]=3 190 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,0,0,0,1,0|2,0,0]=3 191 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,0,0,0,1,0|3,0,0]=4 192 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,0,0,0,1,0|3,0,0]=4 193 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,0,0,0,1,0|3,0,0]=4 194 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,0,0,0,1,0|3,0,0]=4 195 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,0,0,0,1,0|3,0,0]=4 196 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,0,0,0,1,0|2,0,0]=3 197 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,0,0,0,1,0|3,0,0]=4 198 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,0,0,0,1,0|2,0,1]=4 199 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,0,0,0,0,1|1,0,0]=2 200 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,0,0,0,0,1|2,0,0]=3 201 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,0,0,0,0,1|2,0,0]=3 202 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,0,0,0,0,1|3,0,0]=4 203 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,0,0,0,0,1|3,0,0]=4 204 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,0,0,0,0,1|2,0,0]=3 205 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,0,0,0,0,1|3,0,0]=4 206 B12R1.226 O=[N+]([O-])/C=C\C1=CC(=CC=C1)O S914215 [0,0,0,0,0,1|3,0,0]=4 207 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|2,0,0]=4 208 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [2,0,0,0,0,0|0,1,0]=3 221 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.8 CCOC1=CC=CC=N1 S442267 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 229 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.13 O=CNC1=C(C(=CC=C1)Cl)Cl S623296 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [1,1,0,0,0,0|0,0,1]=3 240 B11R1.34 CC1=CC(=CC(=C1)NC=O)C S625418 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.34 CCOC1=CC(=CC(=C1)C)C S798266 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.34 O=CNC1=CC(=CC(=C1)F)F S767824 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,1,0,0,0,0|0,1,0]=3 267 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,1,0,0,0,0|1,1,0]=4 278 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [1,1,0,0,0,0|1,1,0]=4 279 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,1,0,0,0,0|0,0,0]=2 288 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,1,0,0,0,0|1,1,0]=4 289 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [1,1,0,0,0,0|1,1,0]=4 298 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,1,0,0,0,0|0,0,0]=2 314 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.509 CS(=O)(=O)OC1=CN=CC=C1 PH009192 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,1,0|1,0,0]=3 333 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,1,0|0,0,0]=2 334 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,1,0|1,0,0]=3 335 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,1,0|1,0,0]=3 337 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,1,0,0,1,0|1,1,0]=4 344 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,1,0|1,0,0]=3 345 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,1,0,0,1,0|1,0,0]=3 349 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,1,0,0,1,0|1,0,0]=3 350 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,1,0|1,0,0]=3 352 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,1,0|0,0,0]=2 353 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,1,0|1,0,0]=3 354 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,1,0|2,0,0]=4 355 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,1,0|2,0,0]=4 357 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,1,0|2,0,0]=4 359 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,1,0|2,0,0]=4 360 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,1,0,0,1,0|2,0,0]=4 362 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,1,0,0,1,0|2,0,0]=4 364 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,1,0|1,0,0]=3 365 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,1,0|2,0,0]=4 367 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,1,0,0,1,0|1,0,1]=4 370 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,1,0|2,0,0]=4 371 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,1,0,0,1,0|2,0,0]=4 374 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,1,0|2,0,0]=4 375 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,1,0|2,0,0]=4 377 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,1,0|2,0,0]=4 378 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,1,0,0,1,0|2,0,0]=4 382 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,1,0,0,1,0|0,0,2]=4 384 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,1,0,0,1,0|2,0,0]=4 387 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,1,0,0,1,0|1,0,1]=4 388 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,1,0,0,1,0|1,0,0]=3 390 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,1,0,0,1,0|2,0,0]=4 394 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,1,0,0,0,1|1,0,0]=3 395 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,1,0,0,0,1|2,0,0]=4 396 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,1,0,0,0,1|2,0,0]=4 397 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [0,1,0,0,0,1|2,0,0]=4 398 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,1,0,0,0,1|2,0,0]=4 400 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C S361100 [0,1,0,0,0,1|2,0,0]=4 401 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,1,0,0,0,1|2,0,0]=4 402 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O PH008620 [0,1,0,0,0,1|1,0,1]=4 403 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl R343048 [0,1,0,0,0,1|2,0,0]=4 404 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.643 CC(=O)OCC1=CC(=CC=C1)C#N BOG00135 [0,1,0,0,0,1|1,0,0]=3 406 B13R1.643 N#CC1=CC=CC(=C1)OCC(=O)N EME00031 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.643 NC(=O)COC1=CC=CC(=C1)C=O CBR01186 [0,1,0,0,0,1|1,0,1]=4 408 B13R1.893 CC(=O)O[Hg]C1=C(C=CC(=C1)I)N S880914 [0,1,0,0,0,1|1,0,0]=3 409 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [0,1,0,0,0,1|2,0,0]=4 410 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [0,1,0,0,0,1|2,0,0]=4 411 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl OTV000322 [0,1,0,0,0,1|2,0,0]=4 412 B13R1.893 O=C(O)COC1=CC(=CC=C1Br)F CDS022259 [0,1,0,0,0,1|2,0,0]=4 413 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C S408174 [0,1,0,0,0,1|2,0,0]=4 414 B13R1.35 C(=O)C1=C(C=C(C=C1)OC(=O)C)Cl R539104 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)Br)C S803685 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)I)C L168319 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S558389 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)I)C)C L168114 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.876 CC(=O)NC1=CC(=C(C=C1Br)C)C L168262 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.876 CC(=O)NC1=CC(=C(C=C1C)F)Cl PHB00099 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.876 CC(=O)NC1=CC(=C(C=C1I)C)C L168475 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.876 CC(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl PH009741 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.876 CC(=O)OC1=CC(=C(C=C1Br)C)Br S310026 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)C S391735 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)Cl S746592 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)C)Cl S790990 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)Cl S891975 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)Cl)Cl S725323 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)C T168629 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.2879 NCC(=O)NC1=CC=C(C(=C1)F)F CDS010690 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.2879 O=C(CBr)NC1=CC(=C(C=C1)F)Cl R763136 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S188921 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S746584 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F JRD0742 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F TMT00145 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Br)C)C L168130 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)C)Br)C S931926 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl S558451 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.3528 CC(=O)NC1=CC=C(C(=C1C)C)I L168181 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)C)Br)C L168122 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)F)F)F ANV00338 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S309982 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S322679 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)F S732389 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)N R703192 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)C S646628 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Br S711098 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.20 N#CCC(=O)NC1=CC(=CC=C1)Cl TMT00163 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.22 CC1=CC=CC(=C1)N(C)C(=O)CCl TMT00605 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.22 COC(=O)C(N)C1=CC(=CC=C1)F CDS021188 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.22 COC(=O)C(N)C1=CC=CC(=C1)C CBR00930 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.22 COC(=O)N(O)C1=CC(=CC=C1)Cl S857858 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.40 CC1=C(C=CC=C1Cl)NC(=O)CCl S378038 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S188840 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S391727 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CI L172642 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Br)C R131431 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.40 CNC(=O)NC1=CC=CC(=C1Cl)Cl S623687 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.40 CNC(=O)OC1=CC=CC(=C1C)C PH009025 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.40 COC(=O)NC1=C(C(=CC=C1)Cl)Cl S638102 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S188891 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S718033 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.81 CCC(=O)NC1=CC(=CC=C1)C#N EME00239 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.81 CCC(=O)NC1=CC(=CC=C1)OC S101311 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.81 CCC1=CC(=CC=C1)OC(=O)NC S763179 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.81 CCC1=CC=CC(=C1)NC(=O)CCl TMT00601 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.81 CNC(=O)NC1=CC=CC(=C1)OC S647217 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.81 CNC(=S)NC1=CC(=CC=C1)OC TMT00075 [0,2,0,0,0,0|1,1,0]=4 490 B13R1.81 COC(=O)CC1=CC(=CC=C1)C#N PH003567 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.81 COC(=O)NC1=CC(=CC=C1)OC S609366 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.81 COC1=CC=CC(=C1)NC(=O)CCl S520322 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.81 CSC1=CC=CC(=C1)NC(=O)CCl S916722 [0,2,0,0,0,0|1,1,0]=4 494 B13R1.81 N#CC1=CC=CC(=C1)NC(=O)CCl TMT00616 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.2872 CC1=C(C=C(C=C1)Cl)NC(=O)CCl S378070 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.2872 CC1=CC(=C(C=C1)C)NC(=O)CCl S746568 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.2872 CC1=CC(=C(C=C1)Cl)NC(=O)CCl S378003 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.2872 CC1=CC=C(C(=C1)NC(=O)CI)C L172669 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)C)Cl S844055 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)Cl)C S778729 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)F)F S694797 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.2872 CNC(=O)NC1=C(C=CC(=C1)C)C S636657 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.2872 CNC(=O)NC1=CC(=CC=C1C)Cl S611026 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.2872 CNC(=O)NC1=CC(=CC=C1Cl)Cl S636495 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)C S610194 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)Cl S594113 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Br)O R590207 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Cl)O MNO000017 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)F)F S916595 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S188905 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S921394 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.2874 CC1=CC(=CC(=C1)NC(=O)CCl)C S483117 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)C)C S661082 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)Cl)Cl S698679 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.2874 O=C(CCl)NC1=CC(=CC(=C1)Cl)Cl S904554 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.97 COC1=CC(=C(C=C1)O)NC(=O)C S983187 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.885 CC(=O)NC1=C(C(=CC=C1C)I)C L168416 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.3089 COC1=CC=C(C=C1CC(=O)C)Br PH014737 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)C PH002939 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)Cl R591610 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.3089 CSC1=CC=C(C=C1NC(=O)C)Cl PH009508 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.641 C=C(C)CC1=CC=CC(=C1O)OC PH007147 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.373 CC(=O)NC1=CC=CC(=C1)CCO PH016322 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.373 CCNC1=CC=CC(=C1)NC(=O)C S908711 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.373 CCOC1=CC=CC(=C1)NC(=O)C S806153 [0,2,0,0,0,0|1,0,0]=3 527 B13R1.587 CC(=O)NC1=CN=CC(=C1)C(=O)O CDS004097 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.587 CC(=O)NC1=NC=CC(=C1)C(=O)O ADE000361 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.587 CC(=O)OC1=CC=CC(=C1)C(=S)N BOG00004 [0,2,0,0,0,0|0,1,0]=3 530 B11R1.172 CC(=O)N/N=C/C1=CC=CO1 S592595 [0,0,1,1,0,0|2,0,0]=4 531 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [1,0,0,1,0,0|2,0,0]=4 532 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [1,0,0,1,0,0|2,0,0]=4 533 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [1,0,0,1,0,0|1,0,1]=4 534 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [1,0,0,1,0,0|2,0,0]=4 535 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [1,0,0,1,0,0|1,0,0]=3 536 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [1,0,0,1,0,0|1,0,1]=4 538 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,1,0,0|1,0,1]=4 539 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,1,0,0|2,0,0]=4 540 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,1,0,0|1,1,0]=4 542 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,1,0,0|1,1,0]=4 543 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,1,0,0|1,0,1]=4 544 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,0,0,1,0,1|2,0,0]=4 545 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,0,0,1,0,1|2,0,0]=4 546 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,0,0,1,0,1|2,0,0]=4 547 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,0,0,1,0,1|1,0,0]=3 548 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,0,0,1,0,1|2,0,0]=4 549 B13R2.3050 CC1=CC2=C(C(=CC=C2N1)O)F CDS009038 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C S439428 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)C S544353 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.43 CC1=CC=C2N=C(OC2=C1)CCl CDS016274 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)Cl PH019048 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)F PH019149 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.43 OCC1=CC2=NC=C(C=C2O1)O ADE001182 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.54 CC1=C2N=C(OC2=CC=C1)CN CBR00881 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.54 CC[N+]1=CC2=C(O1)C=CC=C2O S765554 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,1,0,0|1,0,1]=4 564 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [0,1,0,1,0,0|1,0,1]=4 566 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,0|1,0,0]=3 567 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,1,0,1,0,0|2,0,0]=4 569 B13R2.4856 CC1=CC=CC2=C1C(C(=O)N2)N T317225 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,0|1,0,0]=3 572 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.581 COC1=C2SC(=NC2=CC=C1)C PH003522 [0,1,0,1,0,0|1,1,0]=4 574 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,1,0|0,1,1]=4 576 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,1,0|2,0,0]=4 577 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,1,0|2,0,0]=4 578 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,1,0|2,0,0]=4 579 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,1,0|2,0,0]=4 580 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,1,0|2,0,0]=4 581 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,1,0|2,0,0]=4 582 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,1,0|1,0,0]=3 583 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,1,0|2,0,0]=4 584 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [1,0,0,0,1,0|2,0,0]=4 585 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [1,0,0,0,1,0|2,0,0]=4 586 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,2,0|2,0,0]=4 587 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,0,0,0,2,0|2,0,0]=4 588 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,2,0|2,0,0]=4 589 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,1|2,0,0]=4 590 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [1,0,0,0,0,1|0,0,2]=4 591 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,1|2,0,0]=4 592 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,1|1,1,0]=4 593 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [1,0,0,0,0,1|2,0,0]=4 594 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [1,0,0,0,0,1|2,0,0]=4 595 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,1|0,1,0]=3 596 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,1|2,0,0]=4 597 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,1|1,0,0]=3 598 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,0,1|1,0,1]=4 599 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,0,0,0,0,1|1,0,1]=4 600 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [1,0,0,0,0,1|2,0,0]=4 601 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [1,0,0,0,0,1|2,0,0]=4 602 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,1|2,0,0]=4 603 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,1|1,1,0]=4 604 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,0,1|2,0,0]=4 605 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [1,0,0,0,0,1|1,1,0]=4 606 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,1|2,0,0]=4 607 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,1|2,0,0]=4 608 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,1|2,0,0]=4 609 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,1|2,0,0]=4 610 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,1|1,0,0]=3 611 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,1|1,1,0]=4 612 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,1|2,0,0]=4 613 B13R1.149 CC(=O)N/N=C/C1=CC(=CC=C1)F S925101 [0,0,0,0,0,2|2,0,0]=4