0 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,0,0,0,0,0|2,1,0]=3 12 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,0,0,0,0,0|3,1,0]=4 15 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,0,0,0,0,0|1,0,1]=2 49 B10R1.113 O=N(=O)C1=CN=CC(=C1)Br ANV00040 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.113 OB(O)C1=CC(=NC=C1)Br BCH00001 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.113 OB(O)C1=CC=CC(=N1)Cl CDS022634 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.113 OB(O)C1=CC=NC(=C1)F CDS003936 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,0,0,0,0|1,1,1]=4 58 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|1,1,1]=4 76 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|0,0,2]=3 86 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|0,0,1]=2 87 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,1,0,0,0,0|2,1,0]=4 102 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,1,0,0,0,0|2,1,0]=4 106 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,1,0,0,0,0|2,1,0]=4 115 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,1,0,0,0,0|2,1,0]=4 116 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,1,0,0,0,0|1,1,0]=3 117 B11R1.21 NC1=CC(=CC=C1Cl)B(O)O CDS020054 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.21 NC1=CC(=CC=C1F)B(O)O BML00197 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)I S755303 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br CDS000944 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br SYX00309 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Cl CDS004650 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.74 CC1=CC(=CC(=C1)B(O)O)F CDS004043 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.74 CC1=CC(=CC(=C1)B(O)O)O CDS024139 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])N L170186 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.74 N=C(N)C1=CC(=CC(=C1)F)F CDS005160 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.74 O=C(O)C1=CC(=NC(=N1)S)O S409146 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.74 O=C(O)C1=NC(=CC(=N1)Cl)Cl CDS009668 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.74 O=C([O-])C1=CC(=NC(=N1)O)O S603155 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O R288055 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)Br)Br S813974 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.74 OB(O)C1=CC(=CC(=C1)F)O CDS007717 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.155 CC1=CC(=NC=C1)S(=O)(=O)O PH015082 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.155 CC1=NC=CC(=C1)S(=O)(=O)O PH015380 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.155 NC1=CC(=CC=C1)S(=O)(=O)[O-] S436879 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)F CDS003405 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.155 O=S(=O)([S-])C1=CC(=CC=C1)Cl S64018 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.159 CC1=C(C=CC=C1B(O)O)Cl CDS006288 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,0,0|0,0,0]=1 190 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.159 NC1=C(C(=CC=C1)[N+](=O)[O-])Cl CDS020839 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.159 O=C(O)C1=NC=NC(=C1Cl)Cl CDS021401 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.159 OB(O)C1=CC=CC(=C1Cl)F CDS011895 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.159 OB(O)C1=CC=CC(=C1F)O CDS022372 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.167 CC1=CN=C(N=C1C(=O)O)Cl CDS021233 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,1,0,0,0,0|2,1,0]=4 235 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br CDS020025 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.167 OB(O)C1=CC(=CC=C1Br)F BML00168 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.167 OB(O)C1=CC(=CC=C1F)O CDS023639 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.266 CCC1=CC=CC(=C1)B(O)O SYX00037 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.266 COC1=CC(=CC=N1)B(O)O CDS007799 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.266 COC1=CC=CC(=N1)B(O)O BML00260 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [0,1,0,0,0,0|1,1,1]=4 265 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.266 NCC1=CC(=CC=C1)B(O)O CDS019607 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [0,1,0,0,0,0|1,0,1]=3 274 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,1,0|3,0,0]=4 275 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,0,0,0,1,0|3,0,0]=4 276 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,0,0,0,1,0|2,0,1]=4 278 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,0,0,0,1,0|3,0,0]=4 281 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,0,0,0,1,0|3,0,0]=4 282 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,0,0,0,1,0|2,0,0]=3 284 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,0,0,0,1,0|3,0,0]=4 287 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,0,0,0,1,0|3,0,0]=4 288 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,0,0,0,1,0|2,0,0]=3 291 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,0,0,0,1,0|2,0,0]=3 292 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,0,0,0,1,0|3,0,0]=4 293 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,0,0,0,1,0|3,0,0]=4 294 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,0,0,0,1,0|3,0,0]=4 295 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,0,0,0,1,0|2,0,1]=4 296 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,1,0|3,0,0]=4 297 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,0,0,0,1,0|2,0,0]=3 299 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,0,0,0,1,0|2,0,0]=3 301 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,0,0,0,1,0|3,0,0]=4 303 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,0,0,0,1,0|3,0,0]=4 304 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,0,0,0,1,0|3,0,0]=4 305 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,0,0,0,1,0|3,0,0]=4 306 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,0,0,0,1,0|3,0,0]=4 307 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [0,0,0,0,1,0|3,0,0]=4 308 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,0,0,0,1,0|2,0,0]=3 311 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,0,0,0,1,0|2,0,0]=3 312 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,0,0,0,1,0|2,0,0]=3 313 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,0,0,0,1,0|3,0,0]=4 314 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,0,0,0,1|2,0,0]=3 315 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,0,0,0,0,1|3,0,0]=4 316 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,0,0,0,0,1|2,0,0]=3 317 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,0,0,0,0,1|2,0,0]=3 318 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,0,0,0,0,1|2,0,0]=3 319 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,0,0,0,1|3,0,0]=4 320 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,0,0,0,0,1|3,0,0]=4 321 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,0,0,0,0,1|2,0,0]=3 322 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,0,0,0,0,1|3,0,0]=4 323 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,0,0,0,0,1|2,0,0]=3 324 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,0,0,0,0,1|2,0,0]=3 325 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,0,0,0,0,1|2,1,0]=4 326 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,0,0,0,0,1|1,0,1]=3 327 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,0,0,0,0,1|1,0,1]=3 328 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [0,0,0,0,0,1|2,0,1]=4 329 B8R0.23 C(=C(/Br)\C(=O)O)\C(=O)O S455768 [1,0,1,0,0,0|2,0,0]=4 330 B8R0.23 O=C(O)/C=C(\Cl)/C(=O)O S864625 [1,0,1,0,0,0|2,0,0]=4 331 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [1,0,1,0,0,0|0,0,2]=4 332 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,1]=4 344 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.4 OC1=CC=CC(=N1)O S458678 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [2,0,0,0,0,0|2,0,0]=4 352 B10R0.78 C(=C\C(=O)NCC=C)\C(=O)O S393886 [0,1,1,0,0,0|0,0,2]=4 353 B10R0.55 COC(=O)/C=C\C=C/C(=O)O T278475 [0,1,1,0,0,0|1,0,0]=3 354 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.8 N#CC1=CC(=CC(=C1)Cl)O CDS015881 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.172 N#CC1=NC=CC(=C1)C=O CDS015515 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|1,1,0]=4 437 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|0,0,0]=2 438 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|0,0,1]=3 439 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|0,0,1]=3 444 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|0,1,0]=3 455 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|0,0,1]=3 462 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|1,1,0]=4 468 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|0,0,1]=3 484 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|0,2,0]=4 489 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,1,0,0,1,0|2,0,0]=4 492 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.31 COC1=NOC(=C1)C(=O)O CDS005261 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,1,0,0,1,0|1,1,0]=4 495 B10R1.31 N#CC1=CNC(=C1)C(=O)O CDS006896 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [0,1,0,0,1,0|1,0,1]=4 498 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [0,1,0,0,1,0|1,0,1]=4 499 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Br PH010473 [0,1,0,0,1,0|2,0,0]=4 501 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.39 COC1=C(OC=C1)C(=O)O T284718 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.39 COC1=CSC=C1C(=O)O CDS015143 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.149 COC(=O)C1=COC=C1C T208701 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.192 CC1=CNC(=C1C(=O)O)C CDS005420 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,1|1,0,0]=3 525 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,0,1|1,0,0]=3 526 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,1|1,0,0]=3 528 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,0,1|1,1,0]=4 529 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,0,0,0,1|2,0,0]=4 531 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,1|2,0,0]=4 532 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,1|2,0,0]=4 533 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,0,1|1,0,0]=3 536 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,0,0,0,1|1,0,0]=3 537 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,1|1,0,0]=3 540 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,1|1,0,0]=3 541 B12R1.101 CC(=O)NC1=CC(=CC(=C1)Cl)Cl R591645 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C S34860 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [0,1,0,0,0,1|1,0,0]=3 545 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.101 O=C(Cl)CC1=CC(=CC(=C1)F)F PH014353 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)F L301000 [0,1,0,0,0,1|1,0,0]=3 548 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.127 N=C(N)SC1=C(C=CC(=C1)O)O PH012138 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.224 CC1=CC=CN(C1=O)CC(=O)O OTV000690 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.224 NC1=CC=CN(C1=O)CC(=O)O PH018006 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,1,0,0,0,1|1,0,0]=3 563 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [0,1,0,0,0,1|1,0,1]=4 564 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,1,0,0,0,1|1,0,0]=3 565 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.438 CC(=O)OC1=CC(=CC=C1)C#N S344893 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,1,0,0,0,1|1,0,0]=3 569 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,1,0,0,0,1|1,0,0]=3 570 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,1,0,0,0,1|1,1,0]=4 571 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,1,0,0,0,1|1,0,0]=3 572 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,1,0,0,0,1|1,0,0]=3 573 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [0,1,0,0,0,1|1,1,0]=4 574 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [0,1,0,0,0,1|1,1,0]=4 575 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,1,0,0,0,1|1,0,0]=3 576 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,1,0,0,0,1|1,1,0]=4 577 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [0,1,0,0,0,1|0,0,1]=3 578 B12R1.23 CC1=CC(=CC=C1N)S(=O)(=O)O T332895 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)O S518506 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)O S438774 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH014373 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH018106 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.48 N#CC1=C(C=C(C=C1)[N+](=O)[O-])O JRD0771 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.56 CC1=CC=C(C=C1CO)[N+](=O)[O-] S310832 [0,2,0,0,0,0|1,0,1]=4 594 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,2,0,0,0,0|1,1,0]=4 595 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,2,0,0,0,0|0,0,0]=2 597 B12R1.56 COC1=CC(=CC=C1C)B(O)O CDS020070 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.56 COC1=CC(=CC=C1Cl)B(O)O CDS007828 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,2,0,0,0,0|0,0,0]=2 600 B12R1.56 COC1=CC(=CC=C1F)B(O)O CDS004272 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.232 O=[N+]([O-])C1=C(C=C(C(=C1)O)Cl)F R548561 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.232 O=[N+]([O-])C1=CC(=C(C=C1F)F)O CDS016495 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.367 CC1=C(C=C(C=C1)/C(=N/N)/O)I JRD1340 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,2,0,0,0,0|0,0,0]=2 634 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)F)F BOG00015 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.367 O=C(CBr)C1=CC(=C(C=C1)F)Cl L446610 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.367 O=C(CBr)C1=CC=C(C(=C1)F)F CDS016555 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl PH015483 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.1005 CC1=C(C(=O)C=C(O1)C(=O)O)C T310166 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.1005 CC1=C(C=C(C=C1Cl)C(=O)O)N PH018740 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)N PH011653 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N CDS019647 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.1005 NC1=CC(=CC(=C1Cl)Cl)C(=O)O PH015088 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.1005 O=C(Cl)C1=CC(=C(C(=C1)I)I)I S872946 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)F)F CDS022145 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [0,2,0,0,0,0|0,0,0]=2 665 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [0,2,0,0,0,0|0,0,1]=3 666 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.24 COC(=O)C1=CC=CC(=C1C)Cl S312320 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,2,0,0,0,0|0,0,0]=2 680 B12R1.24 O=C(CBr)C1=CC=CC(=C1F)F PH014660 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,2,0,0,0,0|0,0,0]=2 691 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)F ADE000416 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.354 COC(=O)C1=CC(=NC=C1N)Br PHB00209 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.354 N/N=C(\O)/C1=C(C=CC(=C1)F)O JRD1301 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.354 NC1=C(C=C(C=C1)Cl)/C(=N/O)/N PH015515 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.354 O=C(CBr)C1=C(C=CC(=C1)F)F PH014673 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl S746266 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.358 COC(=O)C1=CC(=CC(=O)O1)C T310018 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.358 COC(=O)C1=NC(=NC(=C1)C)O JRD0865 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.358 O=C(CBr)C1=CC(=CC(=C1)F)F PH016240 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.435 CNC(=O)C1=CC(=CC=C1)C#N EME00411 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.435 COC(=O)C1=CC=CC(=N1)CBr CDS021944 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.435 COC(=O)C1=CC=CC(=N1)CN CDS022894 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.435 COC1=CC(=CC=C1)/C(=N/O)/C PH010759 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.435 COC1=CC(=NC=C1)C(=O)NN ADE000342 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,2,0,0,0,0|0,0,1]=3 716 B12R1.435 COC1=CC=CC(=N1)C(=O)NN ADE000352 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CDS013717 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.11 COC1=CC(=CC(=C1)B(O)O)F CDS006266 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.11 CSC1=NC(=CC(=N1)C(=O)O)O S362514 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.102 CC1=CC(=CC(=C1)P(=O)(O)O)C S915963 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.102 O=S(=O)(O)C1=CC(=CC(=C1)Cl)Cl PH014257 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br R161454 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.511 NC1=C(C(=CC(=C1)Cl)C(=O)[O-])Cl S434795 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.511 O=C(O)C1=C(C(=NC(=N1)O)O)Cl S776769 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.511 O=C(O)C1=C(C(=NC(=N1)O)O)I S217093 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.511 O=C(O)C1=CC(=CC(=C1F)F)F CDS002688 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)C S915947 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)Cl S311626 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)O)C S563609 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)Cl S419346 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)O S357820 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.128 O=S(=O)(O)C1=C(C=CC(=C1)F)F PH014475 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1F)F PH018138 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.128 O=S(=O)([O-])C1=CC(=CC=C1O)O S430366 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.228 CC1=C(C(=CC=C1)P(=O)(O)O)C S915785 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.228 CC1=CC=CC(=C1C)S(=O)(=O)O PH014377 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.228 O=S(=O)(O)C1=C(C(=CC=C1)Cl)Cl PH014378 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.436 COC1=CC(=CC=C1)C(C)(C)O PH010478 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.87 COC1=C(C=CC=C1C(=O)O)F CDS011471 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] TMT00303 [0,2,0,0,0,0|1,0,1]=4 747 B12R1.440 COC1=CC=CC(=C1N)[N+](=O)[O-] CDS020857 [0,2,0,0,0,0|1,0,1]=4 748 B12R1.440 COC1=CC=CC(=C1O)B(O)O CDS006533 [0,2,0,0,0,0|1,0,1]=4 749 B12R1.440 N=CC1=C(C(=CC=C1)C(=O)O)O S172464 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.894 CC(=O)C1=C(C(=CC=C1F)Cl)F PH015556 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl S656658 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.894 CC1=C(C(=C(C=C1)Cl)O)C(=O)O PH008017 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.894 CC1=C(C(=C(C=C1)N)C(=O)O)Br TMT00142 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.894 CC1=CC=C(C(=C1I)C(=O)O)I L511919 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.894 NC(=O)C1=C(C(=CC=C1F)F)F T340596 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.894 NC1=C(C(=CC=C1Cl)Cl)C(=O)O S17397 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.894 O=C(O)C1=C(C(=CC=C1Cl)Cl)Cl R169676 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O PH014538 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.894 O=C(O)C1=C(C=CC(=C1O)F)F CDS022676 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.46 CNC1=CC=C(C=C1C(=O)N)Cl S681199 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)Cl R703273 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.46 COC1=NC=C(C=C1C(=O)O)C ADE000767 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.46 COC1=NC=C(C=C1C(=O)O)Cl ADE000181 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.46 COC1=NC=C(C=C1C(=O)O)F CDS015927 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Br L255521 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Cl L255505 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Br CDS013504 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Cl CDS009784 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.453 COC1=CC=C(C(=C1)B(O)O)Cl BML00130 [0,2,0,0,0,0|1,0,1]=4 776 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,2,0,0,0,0|0,0,0]=2 778 B12R1.453 COC1=CC=C(C(=C1)[N+](=O)[O-])I S544981 [0,2,0,0,0,0|1,0,1]=4 779 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,2,0,0,0,0|1,1,0]=4 780 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,2,0,0,0,0|0,1,0]=3 781 B12R1.258 CC(=O)C1=CC=CC(=C1)N(C)C CDS000329 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)O CDS021061 [0,2,0,0,0,0|1,0,1]=4 783 B12R1.258 CC(O)C1=CC=CC(=C1)[N+](=O)[O-] S489697 [0,2,0,0,0,0|1,0,1]=4 784 B12R1.258 CN(C)C1=CC(=CC=N1)C(=O)O CDS002256 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.258 CS(=O)C1=CC=CC(=C1)B(O)O CDS005214 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)O CDS011144 [0,2,0,0,0,0|0,0,1]=3 787 B12R1.258 O=C(O)C1=CC(=CC=C1)[N+](=O)[O-] S286281 [0,2,0,0,0,0|0,0,1]=3 788 B12R1.258 O=C([O-])C1=CC=CC(=C1)[N+](=O)[O-] R276456 [0,2,0,0,0,0|0,0,2]=4 789 B12R1.279 CC(=O)C1=CC=CC(=C1)NC=O S921661 [0,2,0,0,0,0|1,0,1]=4 790 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N BOG00040 [0,2,0,0,0,0|1,1,0]=4 791 B12R1.279 CCOC1=CC=CC(=C1)[N+](=O)[O-] S519375 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [0,2,0,0,0,0|0,0,0]=2 793 B12R1.279 NC(=O)C1=C[N+](=CC=C1)CCO S914436 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.279 OCCC1=CC(=CC=C1)B(O)O CDS021916 [0,2,0,0,0,0|1,0,1]=4 795 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,1,0,0|2,0,0]=4 796 B10R1.66 O=C(O)/C=C/C1=NC=CS1 CDS022230 [0,0,1,1,0,0|1,1,0]=4 797 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [0,0,1,1,0,0|0,0,1]=3 798 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [0,0,1,1,0,0|0,0,1]=3 799 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [0,0,1,1,0,0|0,0,1]=3 800 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 801 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,0,0,1,0,1|2,0,0]=4 802 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,0,0,1,0,1|2,0,0]=4 803 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,0,1|2,0,0]=4 804 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,0,0,1,0,1|2,0,0]=4 805 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,0,0,1,0,1|2,0,0]=4 806 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,0,0,1,0,1|2,0,0]=4 807 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,0,0,1,0,1|2,0,0]=4 808 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,0,0,1,0,1|2,0,0]=4 809 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,0,0,1,0,1|1,1,0]=4 810 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,1,0,1|2,0,0]=4 811 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,0,0,1,0,1|2,0,0]=4 812 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,0,0,1,0,1|2,0,0]=4 813 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,0,0,1,0,1|1,0,0]=3 814 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,1,0,1|2,0,0]=4 815 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,1,0,1|2,0,0]=4 816 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,0,0,1,0,1|2,0,0]=4 817 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,0,1|1,0,0]=3 818 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,1,0,1|2,0,0]=4 819 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,1,0,1|2,0,0]=4 820 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,1,0,1|2,0,0]=4 821 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,1,0,1|2,0,0]=4 822 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,1,0,1|0,0,0]=2 823 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,0,0,1,0,1|2,0,0]=4 824 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,0,0,1,0,1|2,0,0]=4 825 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|1,0,0]=3 828 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|1,1,0]=4 830 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,0,0,0,1,0|2,0,0]=4 834 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,1,0|2,0,0]=4 835 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,0,0,1,0|2,0,0]=4 836 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,0,0,0,1,0|2,0,0]=4 837 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|2,0,0]=4 838 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|2,0,0]=4 839 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|1,0,0]=3 840 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,1,0|2,0,0]=4 841 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,1,0|2,0,0]=4 842 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,1,0|2,0,0]=4 843 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [1,0,0,0,1,0|2,0,0]=4 844 B8R1.7 O=C(O)C1=CSN=C1 T312894 [1,0,0,0,1,0|2,0,0]=4 845 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,0,0,0,1,0|2,0,0]=4 846 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,1|2,0,0]=4 847 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,1|2,0,0]=4 848 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,1|2,0,0]=4 849 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,1|2,0,0]=4 850 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,1|2,0,0]=4 851 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,1|2,0,0]=4 852 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,1|2,0,0]=4 853 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,1|2,0,0]=4 854 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,1|1,0,0]=3 855 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [1,0,0,0,0,1|2,0,0]=4 856 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,1|1,0,1]=4 857 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,1|1,0,1]=4 858 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,1|1,0,1]=4 859 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,0,0,0,0,2|2,0,0]=4 860 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,0,0,0,0,2|2,0,0]=4 861 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,0,0,0,0,2|1,0,0]=3 862 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,0,0,0,0,2|1,0,0]=3 863 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,0,0,0,0,2|0,0,0]=2 864 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,0,0,0,0,2|1,0,0]=3 865 B12R1.226 O=[N+]([O-])/C=C\C1=CC(=CC=C1)O S914215 [0,0,0,0,0,2|1,0,1]=4