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|1,0,0]=1 2 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,0,0,0,0,0|1,1,0]=2 13 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,0,0,0,0,0|2,1,0]=3 16 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.113 O=N(=O)C1=CN=CC(=C1)Br ANV00040 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [1,0,0,0,0,0|1,0,2]=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|1,0,0]=2 56 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,0,0,0,0|0,1,1]=3 58 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|0,1,1]=3 85 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|1,0,2]=4 95 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,1,0,0,0,0|2,1,0]=4 110 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,1,0,0,0,0|1,1,0]=3 114 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,1,0,0,0,0|2,1,0]=4 124 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,1,0,0,0,0|2,1,0]=4 125 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,1,0,0,0,0|2,1,0]=4 126 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)I S755303 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.74 CC1=CC(=CC(=C1)B(O)O)F CDS004043 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.74 CC1=CC(=CC(=C1)B(O)O)O CDS024139 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C S369373 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])N L170186 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.74 CC1=CC(=CC(=N1)C)[N+](=O)[O-] PH009740 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.74 CC1=CC(=CC(=O)N1)N(C)C R101338 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.74 CN(C)C1=CC(=CC(=C1)Cl)Cl S886807 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.74 N=C(N)C1=CC(=CC(=C1)F)F CDS005160 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)Br)Br S813974 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N CDS013665 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.155 CC1=CC(=NC=C1)S(=O)(=O)O PH015082 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.155 CC1=CC=NC(=C1)C(C)(F)F MNO000145 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.155 CC1=NC=CC(=C1)S(=O)(=O)O PH015380 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.155 C[N+]1=CC=CC(=C1)S(=O)(=O)[O-] S441112 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.155 NC1=CC(=CC=C1)S(=O)(=O)[O-] S436879 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)F CDS003405 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.155 O=S(=O)([S-])C1=CC(=CC=C1)Cl S64018 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.159 CC(=O)C1=NC=NC(=C1Cl)Cl PH016127 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.159 NC1=C(C(=CC=C1)[N+](=O)[O-])Cl CDS020839 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,1,0,0,0,0|2,1,0]=4 243 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [0,1,0,0,0,0|1,0,2]=4 260 B11R1.266 CCC1=CC=CC(=C1)B(O)O SYX00037 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.266 CN(C)C1=CC(=CC=C1)C#N S869449 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,1,0,0,0,0|0,0,2]=3 263 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.266 FC(F)C1=CC=CC(=C1)CBr CDS024372 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,1,0,0,0,0|1,0,1]=3 272 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.266 NCC1=CC(=CC=C1)B(O)O CDS019607 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [0,1,0,0,0,0|2,0,1]=4 280 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [0,0,0,1,0,0|2,0,1]=4 281 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [0,0,0,1,0,0|2,0,1]=4 282 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,0,0,1,0,0|2,0,1]=4 283 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,1,0|1,0,0]=2 284 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,0,0,0,1,0|2,0,0]=3 286 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,0,0,0,1,0|2,0,0]=3 287 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,0,0,0,1,0|2,0,1]=4 291 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,0,0,0,1,0|3,0,0]=4 292 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,0,0,0,1,0|3,0,0]=4 293 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,0,0,0,1,0|3,0,0]=4 294 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,0,0,0,1,0|3,0,0]=4 295 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,0,0,0,1,0|3,0,0]=4 296 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,0,0,0,1,0|3,0,0]=4 297 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,0,0,0,1,0|3,0,0]=4 298 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,0,1,0|0,0,3]=4 301 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,0,0,0,1,0|2,0,0]=3 302 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,1,0|1,0,0]=2 303 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,0,0,0,1,0|2,0,0]=3 304 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,0,0,0,1,0|2,0,0]=3 305 B9R1.41 CC1=C(C=NO1)C(=O)Cl SYX00343 [0,0,0,0,1,0|3,0,0]=4 306 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,0,0,0,1,0|3,0,0]=4 307 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,0,0,0,1,0|2,0,0]=3 308 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.41 CC1=C(SC=C1)[N+](=O)[O-] PH003225 [0,0,0,0,1,0|3,0,0]=4 311 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,0,0,0,1,0|2,0,0]=3 313 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,0,0,0,1,0|3,0,0]=4 314 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,0,0,0,1,0|3,0,0]=4 315 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,0,0,0,1,0|3,0,0]=4 316 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,0,0,0,1,0|3,0,0]=4 317 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,0,0,0,1,0|3,0,0]=4 318 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,0,0,0,1,0|3,0,0]=4 319 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,0,0,0,1,0|3,0,0]=4 320 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,0,0,0,1,0|3,0,0]=4 321 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,0,0,0,1|0,0,0]=1 322 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,0,0,0,0,1|1,0,0]=2 323 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,0,0,0,0,1|1,0,0]=2 324 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,0,0,0,0,1|1,0,0]=2 325 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,0,0,0,0,1|1,0,0]=2 326 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,0,0,0,1|1,0,0]=2 327 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,0,0,0,0,1|1,0,0]=2 328 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,0,0,0,0,1|2,0,1]=4 329 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,0,0,0,0,1|1,0,0]=2 330 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,0,0,0,0,1|1,0,1]=3 331 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [0,0,0,0,0,1|1,0,2]=4 332 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,0,0,0,0,1|1,0,2]=4 333 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,0,0,0,0,1|3,0,0]=4 334 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,0,0,0,0,1|3,0,0]=4 335 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,0,0,0,0,1|2,0,0]=3 336 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,0,0,0,0,1|2,0,0]=3 337 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,0,0,0,0,1|2,1,0]=4 338 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,0,0,0,0,1|2,0,0]=3 339 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,1]=3 343 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,1]=3 344 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,1]=3 345 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 347 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.4 CC1=CC=NC(=O)C1 S681601 [2,0,0,0,0,0|1,0,1]=4 354 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [2,0,0,0,0,0|2,0,0]=4 357 B10R0.55 C(=C/C(=O)OC)\CCC(=C)C T252778 [0,1,1,0,0,0|0,0,2]=4 358 B10R0.55 COC(=O)/C=C\C=C/C(=O)O T278475 [0,1,1,0,0,0|2,0,0]=4 359 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [1,1,0,0,0,0|0,0,2]=4 400 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|0,0,2]=4 405 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|0,0,1]=3 411 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.172 CCC1=NC(=CC=N1)C=O CBR02044 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.172 N#CC1=NC=CC(=C1)C=O CDS015515 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|1,1,0]=4 493 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [1,1,0,0,0,0|0,0,2]=4 504 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,1,0,0,0,0|1,1,0]=4 529 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|0,0,2]=4 541 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|1,1,0]=4 542 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|1,1,0]=4 562 B10R1.14 CC1=CC=C(S1)/C(=N\O)/C S755737 [0,1,0,0,1,0|1,0,1]=4 563 B10R1.14 CCC(=O)C1=CC=C(S1)Br CBR01166 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,1,0,0,1,0|2,0,0]=4 566 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.14 COC(=O)C1=CSC(=N1)C SYX00285 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.14 COC(=O)C1=NOC(=C1)C EME00018 [0,1,0,0,1,0|2,0,0]=4 569 B10R1.14 O=C(CBr)C1=CC=C(S1)Cl CDS003755 [0,1,0,0,1,0|2,0,0]=4 570 B10R1.31 CC(=O)C1=CC(=CS1)CCl CBR01251 [0,1,0,0,1,0|1,0,0]=3 571 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,1,0,0,1,0|2,0,0]=4 572 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,1,0,0,1,0|1,0,0]=3 577 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,1,0,0,1,0|2,0,0]=4 580 B10R1.59 CC1=CC(=C(S1)N)C(=O)N OTV000759 [0,1,0,0,1,0|2,0,0]=4 581 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,1,0,0,1,0|2,0,0]=4 582 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,1,0|2,0,0]=4 583 B10R1.39 CCC1=CNC=C1C(=O)C L164054 [0,1,0,0,1,0|1,0,0]=3 584 B10R1.39 CCN1C=CC=C1C(=O)C CDS003863 [0,1,0,0,1,0|1,0,0]=3 585 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.39 COC1=C(OC=C1)C(=O)O T284718 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.39 COC1=CSC=C1C(=O)O CDS015143 [0,1,0,0,1,0|2,0,0]=4 588 B10R1.149 CC1=C(C=CO1)C(=O)NN CDS005915 [0,1,0,0,1,0|2,0,0]=4 589 B10R1.149 CCC(=O)C1=CC=NN1C CBR01985 [0,1,0,0,1,0|2,0,0]=4 590 B10R1.149 CN1C=CC=C1C(=O)NN CDS015065 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.149 COC(=O)C1=C(SC=N1)C SYX00155 [0,1,0,0,1,0|2,0,0]=4 592 B10R1.149 COC(=O)C1=COC=C1C T208701 [0,1,0,0,1,0|1,0,0]=3 593 B10R1.149 COC(=O)C1=NNC=C1C S940550 [0,1,0,0,1,0|2,0,0]=4 594 B10R1.149 O=C(CBr)C1=C(C=CS1)Cl CDS014953 [0,1,0,0,1,0|2,0,0]=4 595 B10R1.192 CC1=CNC(=C1C(=O)O)C CDS005420 [0,1,0,0,1,0|2,0,0]=4 596 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,1,0,0,0,1|1,0,0]=3 597 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,0,0,0,1|0,0,0]=2 598 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,1,0,0,0,1|1,0,0]=3 599 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,1,0,0,0,1|1,0,0]=3 600 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,0,0,0,1|0,0,0]=2 602 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,0,1|0,0,0]=2 603 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,1,0,0,0,1|1,0,0]=3 604 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,0,0,0,1|0,0,0]=2 605 B12R1.19 CC1=C(C=C(C=C1)NC(=S)N)C R610909 [0,1,0,0,0,1|1,1,0]=4 606 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,0,0,0,1|1,0,0]=3 607 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [0,1,0,0,0,1|1,0,1]=4 613 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,1|0,0,0]=2 614 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,0,1|0,0,0]=2 615 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,0,0,0,1|1,0,0]=3 616 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,0,0,0,1|1,0,0]=3 617 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,1|0,0,0]=2 618 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,1|1,0,0]=3 620 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,1|1,0,0]=3 621 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,1,0,0,0,1|0,1,0]=3 622 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [0,1,0,0,0,1|1,1,0]=4 623 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,0,1|0,0,0]=2 624 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,0,0,0,1|1,0,0]=3 625 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,0,0,0,1|1,0,0]=3 626 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,0,0,0,1|1,0,0]=3 627 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.101 CC(=O)NC1=CC(=CC(=C1)Cl)Cl R591645 [0,1,0,0,0,1|1,0,0]=3 630 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [0,1,0,0,0,1|1,0,0]=3 631 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C S34860 [0,1,0,0,0,1|0,0,0]=2 632 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [0,1,0,0,0,1|1,0,0]=3 633 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.101 O=C(Cl)CC1=CC(=CC(=C1)F)F PH014353 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)F L301000 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.119 CC1=CC(=CC=C1)OS(=O)(=O)N PH008063 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.119 CS(=O)(=O)NC1=CC(=CC=C1)Cl T100072 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,0,1|0,0,0]=2 639 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,1,0,0,0,1|1,0,0]=3 640 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,1,0,0,0,1|1,0,0]=3 641 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,1,0,0,0,1|1,0,0]=3 642 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,1,0,0,0,1|1,0,0]=3 643 B12R1.127 CC(=O)NC1=CC(=CC=[N+]1[O-])C PH009059 [0,1,0,0,0,1|1,0,0]=3 644 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.127 CC(=O)OC1=CC(=CN=C1I)Br ADE000446 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.224 CC(=O)NC1=C(C(=CN=C1)I)O ADE000683 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.224 CC(=O)NC1=C(C(=NC=C1)I)O ADE000680 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,1,0,0,0,1|1,0,0]=3 651 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)Br)[O-] PH009399 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)C)[O-] PH009113 [0,1,0,0,0,1|1,0,0]=3 653 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,0,0,0,1|1,0,0]=3 654 B12R1.224 CC1=C(C(=CC=C1)NC(=S)N)C R238619 [0,1,0,0,0,1|1,1,0]=4 655 B12R1.224 CC1=CC=CC(=C1O)CN(C)C PH019066 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.224 CC1=CC=CN(C1=O)CC(=O)O OTV000690 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.224 CC1=CC=CN(C1=O)CC(=O)[O-] OTV000754 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,1,0,0,0,1|1,0,0]=3 660 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,1,0,0,0,1|1,0,0]=3 661 B12R1.225 CC(=O)N(C)C1=CC=CC(=N1)Br CDS023643 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [0,1,0,0,0,1|1,0,1]=4 663 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [0,1,0,0,0,1|0,0,1]=3 665 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,1,0,0,0,1|0,0,0]=2 666 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,1,0,0,0,1|0,0,0]=2 667 B12R1.438 CC(=O)OC1=CC(=CC=C1)C#N S344893 [0,1,0,0,0,1|0,0,1]=3 668 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,1,0,0,0,1|0,0,0]=2 669 B12R1.438 CN(C)CC1=CC(=CC=C1)CN CBR02345 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,1,0,0,0,1|1,0,0]=3 671 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,1,0,0,0,1|1,0,0]=3 673 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,1,0,0,0,1|0,1,0]=3 674 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,1,0,0,0,1|0,0,0]=2 675 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,1,0,0,0,1|0,0,0]=2 676 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [0,1,0,0,0,1|1,1,0]=4 677 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [0,1,0,0,0,1|1,1,0]=4 678 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,1,0,0,0,1|0,0,0]=2 679 B12R1.438 CSC1=CC(=CC=C1)CN(C)N PH007580 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,1,0,0,0,1|0,0,0]=2 681 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [0,1,0,0,0,1|1,0,1]=4 682 B12R1.23 CC1=CC(=CC=C1Cl)S(=O)(=O)Cl CDS014633 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.23 CC1=CC(=CC=C1N)S(=O)(=O)O T332895 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.23 CC1=CC=C(C=C1C)S(=O)(=O)Cl CDS000977 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.23 CS(=O)(=O)C1=CC(=C(C=C1)F)F MNO000024 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)Cl S628573 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)N S448281 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.48 CC1=CC(=CC=C1C=O)N(C)C PH010205 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.48 CNC1=CC=C(C=C1C)[N+](=O)[O-] PH011346 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.56 CC1=CC=C(C=C1CO)[N+](=O)[O-] S310832 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.56 CNC1=CC(=CC=C1C)C(C)C S893048 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,2,0,0,0,0|1,1,0]=4 699 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.232 CC(=O)C1=C(OC(=O)C(=C1)Cl)C S894265 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.232 CC(=O)N1C=C(C(=O)NC1=O)C PH009748 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.232 CC1=C(C=C(C(=C1)[N+](=O)[O-])N)Br S922072 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.232 CC1=C(N=C(C(=C1)C(=O)N)Cl)C CBR01585 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.232 CC1=CC(=C(C=C1Br)Cl)[N+](=O)[O-] R276979 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.232 CC1=CC(=C(C=C1Cl)C)[N+](=O)[O-] S531057 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.232 CC1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] S752096 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [0,2,0,0,0,0|0,0,0]=2 731 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [0,2,0,0,0,0|0,0,0]=2 733 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,2,0,0,0,0|0,0,0]=2 738 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.367 O=C(CBr)C1=CC(=C(C=C1)F)Cl L446610 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.367 O=C(CBr)C1=CC=C(C(=C1)F)F CDS016555 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl PH015483 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.1005 CC1=C(C(=O)C=C(O1)C(=O)O)C T310166 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.1005 CC1=C(C=C(C=C1Cl)C(=O)O)N PH018740 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)N PH011653 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N CDS019647 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.1005 CC1=CC(=CC(=C1C)C)[N+](=O)[O-] S548952 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.1005 CC1=CC(=CC(=C1Cl)C)[N+](=O)[O-] PH000376 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.1005 CC1=CC(=CC(=C1Cl)Cl)[N+](=O)[O-] PH000845 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.1005 CC1=CC(=CC(=C1N)Cl)[N+](=O)[O-] PH000342 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.1005 NC1=CC(=CC(=C1Cl)Cl)C(=O)O PH015088 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.1005 O=C(Cl)C1=CC(=C(C(=C1)I)I)I S872946 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)F)F CDS022145 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.10 CNS(=O)(=O)C1=CC=CC(=C1)Cl T322571 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [0,2,0,0,0,0|0,0,0]=2 776 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.17 CCNC(=O)C1=CC=CC(=N1)Br PH018909 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.17 CCNC(=O)C1=NC(=CC=C1)F PH018644 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|0,0,0]=2 784 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|0,0,0]=2 785 B12R1.24 COC(=O)C1=CC=CC(=C1C)Cl S312320 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,2,0,0,0,0|0,0,0]=2 789 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.24 O=C(CBr)C1=CC=CC(=C1F)F PH014660 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|0,0,0]=2 793 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,2,0,0,0,0|1,0,0]=3 799 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)F ADE000416 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.354 COC(=O)C1=CC(=NC=C1N)Br PHB00209 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.354 O=C(CBr)C1=C(C=CC(=C1)F)F PH014673 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl S746266 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.358 COC(=O)C1=CC(=CC(=O)O1)C T310018 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.358 COC(=O)C1=NC(=NC(=C1)C)O JRD0865 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.358 O=C(CBr)C1=CC(=CC(=C1)F)F PH016240 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.435 CNC(=O)C1=CC(=CC=C1)C#N EME00411 [0,2,0,0,0,0|0,0,1]=3 816 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [0,2,0,0,0,0|1,0,1]=4 817 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.435 COC(=O)C1=CC=CC(=N1)CBr CDS021944 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.435 COC(=O)C1=CC=CC(=N1)CN CDS022894 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.435 COC1=CC(=CC=C1)/C(=N/O)/C PH010759 [0,2,0,0,0,0|0,0,1]=3 823 B12R1.435 COC1=CC(=NC=C1)C(=O)NN ADE000342 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,2,0,0,0,0|0,0,1]=3 825 B12R1.435 COC1=CC=CC(=C1)C(Br)CBr PH006231 [0,2,0,0,0,0|1,0,1]=4 826 B12R1.435 COC1=CC=CC(=N1)C(=O)NN ADE000352 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CDS013717 [0,2,0,0,0,0|0,0,1]=3 828 B12R1.102 CC1=CC(=CC(=C1)P(=O)(O)O)C S915963 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,2,0,0,0,0|0,0,0]=2 830 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PH011662 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,2,0,0,0,0|1,0,0]=3 832 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.511 CC1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PH009203 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PH011658 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br R161454 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.511 NC1=C(C(=CC(=C1)Cl)C(=O)[O-])Cl S434795 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.511 O=C(O)C1=CC(=CC(=C1F)F)F CDS002688 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)C S915947 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)Cl S311626 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)N)C S505501 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)O)C S563609 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.128 CC1=CC=C(C=C1S(=O)(=O)C)Br CDS022055 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.228 CC1=C(C(=CC=C1)P(=O)(O)O)C S915785 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.228 CC1=CC=CC(=C1C)S(=O)(=O)O PH014377 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.436 COC1=CC(=CC=C1)C(C)(C)O PH010478 [0,2,0,0,0,0|0,0,2]=4 848 B12R1.436 COC1=CC=CC(=C1)C(C)(C)N CDS008388 [0,2,0,0,0,0|1,0,1]=4 849 B12R1.436 CS(=O)(=O)C1=CC=CC(=C1)CBr CDS023694 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.87 COC1=C(C=CC=C1C(=O)O)F CDS011471 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.440 CCC1=CC=CC(=C1N)C(C)C S669296 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] TMT00303 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.440 COC1=CC=CC(=C1N)[N+](=O)[O-] CDS020857 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.440 N=CC1=C(C(=CC=C1)C(=O)O)O S172464 [0,2,0,0,0,0|1,0,1]=4 856 B12R1.894 CC(=O)C1=C(C(=CC=C1F)Cl)F PH015556 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,2,0,0,0,0|0,0,0]=2 858 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl S656658 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.894 CC1=C(C(=C(C=C1)Cl)O)C(=O)O PH008017 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.894 CC1=C(C(=C(C=C1)N)C(=O)O)Br TMT00142 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.894 CC1=CC=C(C(=C1I)C(=O)O)I L511919 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.894 NC(=O)C1=C(C(=CC=C1F)F)F T340596 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.894 NC1=C(C(=CC=C1Cl)Cl)C(=O)O S17397 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.894 O=C(O)C1=C(C(=CC=C1Cl)Cl)Cl R169676 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O PH014538 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.894 O=C(O)C1=C(C=CC(=C1O)F)F CDS022676 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.46 CNC1=CC=C(C=C1C(=O)N)Cl S681199 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.46 CNC1=CC=C(C=C1[N+](=O)[O-])C PH010710 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)Cl R703273 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,2,0,0,0,0|0,0,0]=2 873 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.46 COC1=NC=C(C=C1C(=O)C)C ADE000759 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.46 COC1=NC=C(C=C1C(=O)O)C ADE000767 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Br L255521 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Cl L255505 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Br CDS013504 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Cl CDS009784 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.453 CC(C)C1=CC(=CC=C1F)CN PH019020 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.453 CCC1=CC=C(C(=C1)[N+](=O)[O-])N S753025 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.453 COC1=CC=C(C(=C1)[N+](=O)[O-])I S544981 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.453 CSC1=CC(=C(C=C1)N)[N+](=O)[O-] PH011255 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.258 CC(=O)C1=CC=CC(=C1)N(C)C CDS000329 [0,2,0,0,0,0|0,0,0]=2 890 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)O CDS021061 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.258 CC(O)C1=CC=CC(=C1)[N+](=O)[O-] S489697 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.258 CN(C)C1=CC(=CC=C1)[N+](=O)[O-] PH000043 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.258 CN(C)C1=CC(=CC=N1)C(=O)O CDS002256 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.258 CS(=O)C1=CC=CC(=C1)B(O)O CDS005214 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)O CDS011144 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.258 O=C(O)C1=CC(=CC=C1)[N+](=O)[O-] S286281 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.258 O=C([O-])C1=CC=CC(=C1)[N+](=O)[O-] R276456 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.258 O=[N+]([O-])C1=CC(=CC=C1)C(F)F MNO000033 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.279 CC(=O)C1=CC=CC(=C1)NC=O S921661 [0,2,0,0,0,0|0,0,1]=3 900 B12R1.279 CCC[N+]1=CC=CC(=C1)C(=O)N S906239 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N BOG00040 [0,2,0,0,0,0|1,1,0]=4 902 B12R1.279 CCOC1=CC=CC(=C1)[C@@H](C)N CDS015862 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.279 CCOC1=CC=CC(=C1)[N+](=O)[O-] S519375 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.279 CN(C)C1=CC=CC(=C1)CCO CDS009547 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.279 CN(C)C1=CC=CC(=C1)CNN PH019552 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.279 N#CC[N+]1=CC=CC(=C1)C(=O)N S914274 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.279 NC(=O)C1=C[N+](=CC=C1)CCO S914436 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.1 C=CCC1=CCC(=O)CC1 T220620 [0,0,1,1,0,0|0,0,2]=4 910 B10R1.1 C=CCC1C=CC(=O)CC1 T220426 [0,0,1,1,0,0|0,0,2]=4 911 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,1,0,0|1,0,0]=3 912 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [0,0,1,1,0,0|2,0,0]=4 913 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [0,0,1,1,0,0|2,0,0]=4 914 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [0,0,1,1,0,0|2,0,0]=4 915 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,0]=2 916 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,0,0,1,0,1|1,0,1]=4 917 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,0,0,1,0,1|1,0,1]=4 918 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,0,1|2,0,0]=4 919 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,0,0,1,0,1|1,0,1]=4 920 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [0,0,0,1,0,1|2,0,0]=4 921 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,0,0,1,0,1|2,0,0]=4 922 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,0,0,1,0,1|2,0,0]=4 923 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,0,0,1,0,1|1,0,0]=3 924 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,0,0,1,0,1|2,0,0]=4 925 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,0,0,1,0,1|1,0,1]=4 926 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,0,0,1,0,1|1,1,0]=4 927 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,1,0,1|1,0,1]=4 928 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,0,0,1,0,1|2,0,0]=4 929 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,0,0,1,0,1|1,0,0]=3 930 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,0,0,1,0,1|2,0,0]=4 931 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,0,0,1,0,1|1,0,1]=4 932 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,0,0,1,0,1|2,0,0]=4 933 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,0,0,1,0,1|1,0,1]=4 934 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,0,0,1,0,1|2,0,0]=4 935 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,1,0,1|2,0,0]=4 936 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,0,0,1,0,1|2,0,0]=4 937 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,0,0,1,0,1|2,0,0]=4 938 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,0,0,1,0,1|2,0,0]=4 939 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,0,0,1,0,1|2,0,0]=4 940 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,1,0,1|2,0,0]=4 941 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,0,1|2,0,0]=4 942 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,1,0,1|2,0,0]=4 943 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,1,0,1|2,0,0]=4 944 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,1,0,1|2,0,0]=4 945 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,1,0,1|2,0,0]=4 946 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,1,0,1|2,0,0]=4 947 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|0,0,0]=2 948 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,1,0,1,0,0|1,1,0]=4 950 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|1,0,1]=4 951 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|2,0,0]=4 954 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|1,0,0]=3 956 B12R2.1282 CC1=CC=CC(=C1)C2(CC2)N CDS009085 [0,1,0,1,0,0|1,0,1]=4 957 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,0,1,0,1,0|0,0,1]=3 958 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [1,0,0,0,1,0|2,0,0]=4 959 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [1,0,0,0,1,0|2,0,0]=4 960 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,0,0,0,1,0|2,0,0]=4 961 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,1,0|1,0,0]=3 962 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,0,0,1,0|2,0,0]=4 963 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,0,0,0,1,0|2,0,0]=4 964 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|1,0,0]=3 965 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [1,0,0,0,1,0|2,0,0]=4 966 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|2,0,0]=4 967 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|2,0,0]=4 968 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,1|1,0,0]=3 969 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,1|1,0,0]=3 970 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,1|1,0,0]=3 971 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,0,1|2,0,0]=4 972 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,1|1,0,0]=3 973 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,1|1,0,0]=3 974 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,1|1,0,0]=3 975 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,1|2,0,0]=4 976 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,1|2,0,0]=4 977 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,1|2,0,0]=4 978 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,1|1,0,1]=4 979 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,1|2,0,0]=4 980 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,1|2,0,0]=4 981 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,1|1,0,0]=3 982 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,1|2,0,0]=4 983 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,1|2,0,0]=4 984 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,1|2,0,0]=4 985 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,0,0,0,0,2|1,0,0]=3 986 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,0,0,0,0,2|1,0,0]=3 987 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,0,0,0,0,2|1,0,0]=3 988 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,0,0,0,0,2|2,0,0]=4 989 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,0,0,0,0,2|2,0,0]=4 990 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,0,0,0,0,2|2,0,0]=4 991 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,0,0,0,0,2|2,0,0]=4 992 B7R1.3 CC1=CC=NC=C1 T256412 [3,0,0,0,0,0|1,0,0]=4 993 B7R1.3 CC1=CC=NC=C1 T330418 [3,0,0,0,0,0|1,0,0]=4 994 B7R1.3 NC1=CC=CC=C1 S698326 [3,0,0,0,0,0|1,0,0]=4 995 B7R1.3 O=C1C=CC=CN1 T160121 [3,0,0,0,0,0|1,0,0]=4 996 B7R1.3 O=C1C=CNC=C1 T161470 [3,0,0,0,0,0|1,0,0]=4 997 B7R1.3 O=C1C=CSC=C1 T162035 [3,0,0,0,0,0|1,0,0]=4 998 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [3,0,0,0,0,0|0,0,1]=4 999 B7R1.3 [S-]C1=CC=CC=C1 S578991 [3,0,0,0,0,0|0,1,0]=4 1000 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,1,1,0,0,0|1,0,0]=4 1001 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,1,0,0,0,0|1,0,0]=4 1002 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,1,0,0,0,0|1,0,0]=4 1003 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,1,0,0,0,0|1,0,0]=4 1004 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,1,0,0,0,0|1,0,0]=4 1005 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,1,0,0,0,0|1,0,0]=4 1006 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,1,0,0,0,0|1,0,0]=4 1007 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,1,0,0,0,0|1,0,0]=4 1008 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,1,0,0,0,0|1,0,0]=4 1009 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,1,0,0,0,0|1,0,0]=4 1010 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,1,0,0,0,0|1,0,0]=4 1011 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [2,1,0,0,0,0|0,0,1]=4 1012 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,1,0,0,0,0|1,0,0]=4 1013 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,1,0,0,0,0|1,0,0]=4 1014 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,1,0,0,0,0|1,0,0]=4 1015 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,1,0,0,0,0|0,0,0]=3 1016 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,1,0,0,0,0|1,0,0]=4 1017 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [2,1,0,0,0,0|1,0,0]=4 1018 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,1,0,0,0,0|1,0,0]=4 1019 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,1,0,0,0,0|1,0,0]=4 1020 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [2,1,0,0,0,0|1,0,0]=4 1021 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [2,1,0,0,0,0|1,0,0]=4 1022 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [2,1,0,0,0,0|1,0,0]=4 1023 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [2,1,0,0,0,0|1,0,0]=4 1024 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [2,1,0,0,0,0|1,0,0]=4 1025 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [2,1,0,0,0,0|1,0,0]=4 1026 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [2,1,0,0,0,0|1,0,0]=4 1027 B9R1.3 CC1=CC=CC(=O)N1C T294608 [2,1,0,0,0,0|1,0,0]=4 1028 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [2,1,0,0,0,0|1,0,0]=4 1029 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [2,1,0,0,0,0|1,0,0]=4 1030 B9R1.3 CC1=COC=C(C1=O)C T162310 [2,1,0,0,0,0|1,0,0]=4 1031 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [2,1,0,0,0,0|1,0,0]=4 1032 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [2,1,0,0,0,0|1,0,0]=4 1033 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [2,1,0,0,0,0|1,0,0]=4 1034 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [2,1,0,0,0,0|1,0,0]=4 1035 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [2,1,0,0,0,0|1,0,0]=4 1036 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [2,1,0,0,0,0|1,0,0]=4 1037 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [2,1,0,0,0,0|1,0,0]=4 1038 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [2,1,0,0,0,0|1,0,0]=4 1039 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [2,1,0,0,0,0|1,0,0]=4 1040 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [2,1,0,0,0,0|1,0,0]=4 1041 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [2,1,0,0,0,0|1,0,0]=4 1042 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [2,1,0,0,0,0|1,0,0]=4 1043 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [2,1,0,0,0,0|0,0,1]=4 1044 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [2,1,0,0,0,0|0,1,0]=4 1045 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [2,1,0,0,0,0|1,0,0]=4 1046 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [2,1,0,0,0,0|0,0,0]=3 1047 B9R1.69 CC1=CC(=CC=C1N)N S442275 [2,1,0,0,0,0|1,0,0]=4 1048 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [2,1,0,0,0,0|1,0,0]=4 1049 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [2,1,0,0,0,0|1,0,0]=4 1050 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,1,0,0,0,0|1,0,0]=4 1051 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [2,1,0,0,0,0|1,0,0]=4 1052 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [2,1,0,0,0,0|1,0,0]=4 1053 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [2,1,0,0,0,0|1,0,0]=4 1054 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [2,1,0,0,0,0|1,0,0]=4 1055 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [2,1,0,0,0,0|1,0,0]=4 1056 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [2,1,0,0,0,0|1,0,0]=4 1057 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [1,1,0,0,1,0|1,0,0]=4 1058 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [1,1,0,0,1,0|1,0,0]=4 1059 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [1,1,0,0,1,0|1,0,0]=4 1060 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [1,1,0,0,1,0|1,0,0]=4 1061 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [1,1,0,0,1,0|1,0,0]=4 1062 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,1|1,0,0]=4 1063 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,1,0,0,0,1|1,0,0]=4 1064 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,1|0,0,0]=3 1065 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,1|0,0,0]=3 1066 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,1,0,0,0,1|1,0,0]=4 1067 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,1,0,0,0,1|0,0,0]=3 1068 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,1,0,0,0,1|0,0,0]=3 1069 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,1,0,0,0,1|0,0,0]=3 1070 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,1,0,0,0,1|1,0,0]=4 1071 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,1,0,0,0,1|1,0,0]=4 1072 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,1,0,0,0,1|0,0,0]=3 1073 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,1,0,0,0,1|1,0,0]=4 1074 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,1|1,0,0]=4 1075 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,1,0,0,0,1|1,0,0]=4 1076 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,1|1,0,0]=4 1077 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,1,0,0,0,1|1,0,0]=4 1078 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,1,0,0,0,1|1,0,0]=4 1079 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,1,0,0,0,1|1,0,0]=4 1080 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,1,0,0,0,1|1,0,0]=4 1081 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,1,0,0,0,1|1,0,0]=4 1082 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,1|0,0,0]=3 1083 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,1,0,0,0,1|0,0,0]=3 1084 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,1,0,0,0,1|1,0,0]=4 1085 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,1|1,0,0]=4 1086 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,1|1,0,0]=4 1087 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,1|1,0,0]=4 1088 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,1|1,0,0]=4 1089 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,1,0,0,0,1|0,0,0]=3 1090 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,1,0,0,0,1|0,1,0]=4 1091 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,1,0,0,0,1|0,0,1]=4 1092 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [1,1,0,0,0,1|0,0,1]=4 1093 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,1,0,0,0,1|1,0,0]=4 1094 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,1,0,0,0,1|1,0,0]=4 1095 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,1,0,0,0,1|1,0,0]=4 1096 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,1,0,0,0,1|0,0,0]=3 1097 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [1,1,0,0,0,1|1,0,0]=4 1098 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [1,1,0,0,0,1|1,0,0]=4 1099 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [1,1,0,0,0,1|0,1,0]=4 1100 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,1,0,0,0,1|0,0,0]=3 1101 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,1,0,0,0,1|1,0,0]=4 1102 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,1,0,0,0,1|0,0,0]=3 1103 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,1,0,0,0,1|1,0,0]=4 1104 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,1,0,0,0,1|1,0,0]=4 1105 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [1,1,0,0,0,1|1,0,0]=4 1106 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,1,0,0,0,1|0,0,0]=3 1107 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [1,1,0,0,0,1|1,0,0]=4 1108 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [1,1,0,0,0,1|1,0,0]=4 1109 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,1,0,0,0,1|0,0,0]=3 1110 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [1,1,0,0,0,1|1,0,0]=4 1111 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [1,1,0,0,0,1|1,0,0]=4 1112 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [1,1,0,0,0,1|1,0,0]=4 1113 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [1,1,0,0,0,1|1,0,0]=4 1114 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [1,1,0,0,0,1|1,0,0]=4 1115 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,1,0,0,0,1|0,0,0]=3 1116 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [1,1,0,0,0,1|1,0,0]=4 1117 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,1,0,0,0,1|1,0,0]=4 1118 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,1,0,0,0,1|1,0,0]=4 1119 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,1|1,0,0]=4 1120 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,1|1,0,0]=4 1121 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,1|1,0,0]=4 1122 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,1|1,0,0]=4 1123 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [1,1,0,0,0,1|1,0,0]=4 1124 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,1,0,0,0,1|1,0,0]=4 1125 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [1,1,0,0,0,1|1,0,0]=4 1126 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,1,0,0,0,1|1,0,0]=4 1127 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,1,0,0,0,1|1,0,0]=4 1128 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,1|1,0,0]=4 1129 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [1,2,0,0,0,0|0,0,0]=3 1130 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [1,2,0,0,0,0|0,0,0]=3 1131 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [1,2,0,0,0,0|1,0,0]=4 1132 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [1,2,0,0,0,0|0,0,1]=4 1133 B11R1.13 O=CNC1=C(C(=CC=C1)Cl)Cl S623296 [1,2,0,0,0,0|1,0,0]=4 1134 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [1,2,0,0,0,0|0,0,0]=3 1135 B11R1.72 O=CC1=C(C(=CC=C1F)Br)F CDS022691 [1,2,0,0,0,0|1,0,0]=4 1136 B11R1.72 O=CC1=C(C(=CC=C1F)O)F CDS012447 [1,2,0,0,0,0|1,0,0]=4 1137 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [1,2,0,0,0,0|1,0,0]=4 1138 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [1,2,0,0,0,0|1,0,0]=4 1139 B11R1.267 CCC1=CC=CC(=C1Br)CC S638986 [1,2,0,0,0,0|0,0,1]=4 1140 B11R1.267 CCC1=CC=CC(=C1F)CC S567299 [1,2,0,0,0,0|0,0,1]=4 1141 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [1,2,0,0,0,0|0,0,1]=4 1142 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [1,2,0,0,0,0|1,0,0]=4 1143 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [1,2,0,0,0,0|1,0,0]=4 1144 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [1,2,0,0,0,0|0,0,0]=3 1145 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [1,2,0,0,0,0|1,0,0]=4 1146 B11R1.9 COC1=CC(=CC(=C1)CN)F CDS014667 [1,2,0,0,0,0|1,0,0]=4 1147 B11R1.9 COC1=CC(=CC(=C1)Cl)C=O CDS022648 [1,2,0,0,0,0|0,0,0]=3 1148 B11R1.9 COC1=CC(=CC(=C1)OC)[O-] S860948 [1,2,0,0,0,0|1,0,0]=4 1149 B11R1.14 CC1=CC(=CC(=C1F)C)C=O CDS000866 [1,2,0,0,0,0|0,0,0]=3 1150 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [1,2,0,0,0,0|1,0,0]=4 1151 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C OTV000869 [1,2,0,0,0,0|1,0,0]=4 1152 B11R1.14 O=CC1=CC(=C(C(=C1)Cl)O)Cl CDS014555 [1,2,0,0,0,0|1,0,0]=4 1153 B11R1.14 O=CC1=CC(=C(C(=C1)F)O)Br CDS024542 [1,2,0,0,0,0|1,0,0]=4 1154 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [1,2,0,0,0,0|1,0,0]=4 1155 B11R1.34 CC1=CC(=CC(=C1)NC=O)C S625418 [1,2,0,0,0,0|0,0,0]=3 1156 B11R1.34 CCOC1=CC(=CC(=C1)C)C S798266 [1,2,0,0,0,0|0,0,1]=4 1157 B11R1.34 O=CNC1=CC(=CC(=C1)F)F S767824 [1,2,0,0,0,0|1,0,0]=4 1158 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [1,2,0,0,0,0|0,0,1]=4 1159 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [1,2,0,0,0,0|1,0,0]=4 1160 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [1,2,0,0,0,0|0,0,1]=4 1161 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [1,2,0,0,0,0|0,0,1]=4 1162 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [1,2,0,0,0,0|0,0,1]=4 1163 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [1,2,0,0,0,0|0,0,1]=4 1164 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [1,2,0,0,0,0|0,0,0]=3 1165 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [1,2,0,0,0,0|0,0,1]=4 1166 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [1,2,0,0,0,0|1,0,0]=4 1167 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [1,2,0,0,0,0|0,0,0]=3 1168 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [1,2,0,0,0,0|0,0,1]=4 1169 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [1,2,0,0,0,0|0,0,1]=4 1170 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [1,2,0,0,0,0|1,0,0]=4 1171 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,2,0,0,0,0|0,0,0]=3 1172 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,2,0,0,0,0|0,0,0]=3 1173 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,2,0,0,0,0|0,0,0]=3 1174 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [1,2,0,0,0,0|0,0,1]=4 1175 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [1,2,0,0,0,0|0,0,1]=4 1176 B11R1.189 N#CCC1=CC(=CC=C1)C=O CDS015965 [1,2,0,0,0,0|0,0,0]=3 1177 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,2,0,0,0,0|0,0,0]=3 1178 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [1,2,0,0,0,0|1,0,0]=4 1179 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [1,2,0,0,0,0|1,0,0]=4 1180 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [1,2,0,0,0,0|1,0,0]=4 1181 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [1,2,0,0,0,0|0,0,1]=4 1182 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [1,2,0,0,0,0|1,0,0]=4 1183 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,2,0,0,0,0|1,0,0]=4 1184 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [1,2,0,0,0,0|1,0,0]=4 1185 B11R1.37 COC1=NC=C(C=C1C=O)C ADE000766 [1,2,0,0,0,0|1,0,0]=4 1186 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [1,2,0,0,0,0|1,0,0]=4 1187 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [1,2,0,0,0,0|1,0,0]=4 1188 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [1,2,0,0,0,0|0,0,1]=4 1189 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [1,2,0,0,0,0|0,0,1]=4 1190 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [1,2,0,0,0,0|1,0,0]=4 1191 B11R1.277 O=CC1=CC(=C(C=C1F)Br)F CDS023621 [1,2,0,0,0,0|1,0,0]=4 1192 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,2,0,0,0,0|1,0,0]=4 1193 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [1,2,0,0,0,0|0,0,1]=4 1194 B11R1.280 COC1=CC(=C(C=C1)Br)CCl PH010839 [1,2,0,0,0,0|1,0,0]=4 1195 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [1,2,0,0,0,0|1,0,0]=4 1196 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [1,2,0,0,0,0|1,0,0]=4 1197 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,2,0,0,0,0|1,0,0]=4 1198 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [1,2,0,0,0,0|0,0,0]=3 1199 B11R1.280 N#CC1=CC(=C(C=C1)Cl)C=O CDS023360 [1,2,0,0,0,0|0,0,1]=4 1200 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [1,2,0,0,0,0|1,0,0]=4 1201 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,2,0,0,0,0|1,0,0]=4 1202 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [1,2,0,0,0,0|1,0,0]=4 1203 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,2,0,0,0,0|1,0,0]=4 1204 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,2,0,0,0,0|1,0,0]=4 1205 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,2,0,0,0,0|1,0,0]=4 1206 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [1,2,0,0,0,0|1,0,0]=4 1207 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [1,2,0,0,0,0|1,0,0]=4 1208 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [1,2,0,0,0,0|0,0,1]=4 1209 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [1,2,0,0,0,0|0,0,1]=4 1210 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,2,0,0,0,0|0,0,1]=4 1211 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [1,2,0,0,0,0|1,0,0]=4 1212 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,2,0,0,0,0|0,0,1]=4 1213 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,2,0,0,0,0|0,0,1]=4 1214 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [1,2,0,0,0,0|1,0,0]=4 1215 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,2,0,0,0,0|0,0,0]=3 1216 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [1,2,0,0,0,0|1,0,0]=4 1217 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [1,2,0,0,0,0|0,0,0]=3 1218 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,2,0,0,0,0|0,0,0]=3 1219 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [1,2,0,0,0,0|0,0,0]=3 1220 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [1,2,0,0,0,0|0,0,0]=3 1221 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [1,2,0,0,0,0|1,0,0]=4 1222 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [1,2,0,0,0,0|1,0,0]=4 1223 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [1,2,0,0,0,0|1,0,0]=4 1224 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,2,0,0,0,0|1,0,0]=4 1225 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [1,2,0,0,0,0|1,0,0]=4 1226 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [1,2,0,0,0,0|1,0,0]=4 1227 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [1,2,0,0,0,0|0,0,1]=4 1228 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,2,0,0,0,0|0,0,0]=3 1229 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,2,0,0,0,0|0,0,0]=3 1230 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,2,0,0,0,0|0,0,0]=3 1231 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [1,2,0,0,0,0|0,0,0]=3 1232 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,2,0,0,0,0|0,0,0]=3 1233 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [1,2,0,0,0,0|0,0,0]=3 1234 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [1,2,0,0,0,0|0,0,0]=3 1235 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [1,2,0,0,0,0|0,0,0]=3 1236 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [1,2,0,0,0,0|1,0,0]=4 1237 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [1,2,0,0,0,0|1,0,0]=4 1238 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [1,2,0,0,0,0|1,0,0]=4 1239 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [1,2,0,0,0,0|1,0,0]=4 1240 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [1,2,0,0,0,0|1,0,0]=4 1241 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [1,2,0,0,0,0|1,0,0]=4 1242 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [1,2,0,0,0,0|1,0,0]=4 1243 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [1,2,0,0,0,0|1,0,0]=4 1244 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [1,2,0,0,0,0|1,0,0]=4 1245 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [1,2,0,0,0,0|1,0,0]=4 1246 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,2,0,0,0,0|1,0,0]=4 1247 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [1,2,0,0,0,0|1,0,0]=4 1248 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [1,2,0,0,0,0|1,0,0]=4 1249 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [1,2,0,0,0,0|0,0,1]=4 1250 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [1,2,0,0,0,0|0,0,1]=4 1251 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,2,0,0,0,0|0,0,1]=4 1252 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [1,2,0,0,0,0|0,0,0]=3 1253 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,2,0,0,0,0|1,0,0]=4 1254 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [1,2,0,0,0,0|0,0,0]=3 1255 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [1,2,0,0,0,0|1,0,0]=4 1256 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,2,0,0,0,0|1,0,0]=4 1257 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,2,0,0,0,0|0,0,0]=3 1258 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [1,2,0,0,0,0|0,0,1]=4 1259 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [1,2,0,0,0,0|0,0,1]=4 1260 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,2,0,0,0,0|0,0,0]=3 1261 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [1,2,0,0,0,0|0,0,0]=3 1262 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [1,2,0,0,0,0|0,0,1]=4 1263 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,2,0,0,0,0|1,0,0]=4 1264 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,2,0,0,0,0|1,0,0]=4 1265 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [1,2,0,0,0,0|0,0,0]=3 1266 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,2,0,0,0,0|0,0,0]=3 1267 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [1,2,0,0,0,0|0,0,0]=3 1268 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [1,2,0,0,0,0|1,0,0]=4 1269 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [1,2,0,0,0,0|0,1,0]=4 1270 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [1,2,0,0,0,0|1,0,0]=4 1271 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [1,2,0,0,0,0|1,0,0]=4 1272 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [1,2,0,0,0,0|1,0,0]=4 1273 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [1,2,0,0,0,0|1,0,0]=4 1274 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [1,2,0,0,0,0|0,0,1]=4 1275 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [1,2,0,0,0,0|0,0,1]=4 1276 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [1,2,0,0,0,0|0,0,1]=4 1277 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [1,2,0,0,0,0|1,0,0]=4 1278 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,2,0,0,0,0|1,0,0]=4 1279 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,2,0,0,0,0|1,0,0]=4 1280 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [1,2,0,0,0,0|1,0,0]=4 1281 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [1,2,0,0,0,0|1,0,0]=4 1282 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,2,0,0,0,0|1,0,0]=4 1283 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [1,2,0,0,0,0|1,0,0]=4 1284 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [1,2,0,0,0,0|0,0,0]=3 1285 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [1,2,0,0,0,0|1,0,0]=4 1286 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [1,2,0,0,0,0|1,0,0]=4 1287 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [1,2,0,0,0,0|1,0,0]=4 1288 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,2,0,0,0,0|1,0,0]=4 1289 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [1,2,0,0,0,0|1,0,0]=4 1290 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,2,0,0,0,0|1,0,0]=4 1291 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [1,2,0,0,0,0|0,0,0]=3 1292 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [1,2,0,0,0,0|1,0,0]=4 1293 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [1,2,0,0,0,0|1,0,0]=4 1294 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [1,2,0,0,0,0|1,0,0]=4 1295 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [1,2,0,0,0,0|1,0,0]=4 1296 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [1,2,0,0,0,0|1,0,0]=4 1297 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [1,2,0,0,0,0|1,0,0]=4 1298 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [1,2,0,0,0,0|1,0,0]=4 1299 B11R1.15 CC1=CC=C(S1)C(=O)CC#N CDS023214 [0,2,0,0,1,0|1,0,0]=4 1300 B11R1.225 COC(=O)C1=C(SC(=C1)C)N CBR01148 [0,2,0,0,1,0|1,0,0]=4 1301 B11R1.175 CC(=O)C1=CC=C(S1)C(=O)C S223840 [0,2,0,0,1,0|1,0,0]=4 1302 B11R1.673 CC(=O)C1=C(NC(=C1C)C)C PH008921 [0,2,0,0,1,0|1,0,0]=4 1303 B11R1.59 COC(=O)C1=C(C=CO1)OC T266485 [0,2,0,0,1,0|1,0,0]=4 1304 B11R1.59 COC(=O)C1=C(OC=C1)CBr PH014446 [0,2,0,0,1,0|1,0,0]=4 1305 B11R1.59 COC(=O)C1=C(OC=C1)CN PH017711 [0,2,0,0,1,0|1,0,0]=4 1306 B11R1.178 CC(=O)C1=CNC=C1C(=O)C L165220 [0,2,0,0,1,0|1,0,0]=4 1307 B11R1.199 CCCC(=O)C1=C(C=CS1)C S593311 [0,2,0,0,1,0|1,0,0]=4 1308 B11R1.199 N1C=CC(=C1C)C(=O)OCC S941077 [0,2,0,0,1,0|1,0,0]=4 1309 B11R1.875 COC(=O)C1=C(SC=C1C)N R786993 [0,2,0,0,1,0|1,0,0]=4 1310 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,1,0,0,0,2|1,0,0]=4 1311 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,1,0,0,0,2|0,0,0]=3 1312 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,1,0,0,0,2|1,0,0]=4 1313 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,1,0,0,0,2|1,0,0]=4 1314 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C S361100 [0,1,0,0,0,2|1,0,0]=4 1315 B13R1.150 CC1=CC=CC(=C1C)NCC(=O)O L172502 [0,1,0,0,0,2|1,0,0]=4 1316 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,1,0,0,0,2|1,0,0]=4 1317 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl R343048 [0,1,0,0,0,2|1,0,0]=4 1318 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,1,0,0,0,2|1,0,0]=4 1319 B13R1.643 CC(=O)OCC1=CC(=CC=C1)C#N BOG00135 [0,1,0,0,0,2|0,0,1]=4 1320 B13R1.643 CSC1=CC(=CC=C1)/C=C/C(=O)O T285293 [0,1,0,0,0,2|1,0,0]=4 1321 B13R1.893 CC(=O)O[Hg]C1=C(C=CC(=C1)I)N S880914 [0,1,0,0,0,2|1,0,0]=4 1322 B13R1.893 CC1=CC(=C(C=C1)C)/C=C/C(=O)O PH011355 [0,1,0,0,0,2|1,0,0]=4 1323 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [0,1,0,0,0,2|1,0,0]=4 1324 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [0,1,0,0,0,2|1,0,0]=4 1325 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C CBR00487 [0,1,0,0,0,2|1,0,0]=4 1326 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C S408174 [0,1,0,0,0,2|1,0,0]=4 1327 B13R1.35 C(=O)C1=C(C=C(C=C1)OC(=O)C)Cl R539104 [0,2,0,0,0,1|1,0,0]=4 1328 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [0,2,0,0,0,1|1,0,0]=4 1329 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [0,2,0,0,0,1|1,0,0]=4 1330 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,2,0,0,0,1|1,0,0]=4 1331 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,2,0,0,0,1|0,0,0]=3 1332 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,2,0,0,0,1|0,0,0]=3 1333 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,2,0,0,0,1|0,0,0]=3 1334 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,2,0,0,0,1|1,0,0]=4 1335 B13R1.518 CC1=C(C=C(C=C1)NS(=O)(=O)C)C T100102 [0,2,0,0,0,1|1,0,0]=4 1336 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)Br)C S803685 [0,2,0,0,0,1|0,0,0]=3 1337 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)I)C L168319 [0,2,0,0,0,1|0,0,0]=3 1338 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,2,0,0,0,1|1,0,0]=4 1339 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S558389 [0,2,0,0,0,1|1,0,0]=4 1340 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)I)C)C L168114 [0,2,0,0,0,1|1,0,0]=4 1341 B13R1.876 CC(=O)NC1=CC(=C(C=C1Br)C)C L168262 [0,2,0,0,0,1|0,0,0]=3 1342 B13R1.876 CC(=O)NC1=CC(=C(C=C1C)F)Cl PHB00099 [0,2,0,0,0,1|1,0,0]=4 1343 B13R1.876 CC(=O)NC1=CC(=C(C=C1I)C)C L168475 [0,2,0,0,0,1|0,0,0]=3 1344 B13R1.876 CC(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl PH009741 [0,2,0,0,0,1|1,0,0]=4 1345 B13R1.876 CC(=O)OC1=CC(=C(C=C1Br)C)Br S310026 [0,2,0,0,0,1|1,0,0]=4 1346 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)C#N)C S898031 [0,2,0,0,0,1|0,0,1]=4 1347 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)C S391735 [0,2,0,0,0,1|0,0,0]=3 1348 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)Cl S746592 [0,2,0,0,0,1|1,0,0]=4 1349 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)C)Cl S790990 [0,2,0,0,0,1|1,0,0]=4 1350 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,2,0,0,0,1|0,0,0]=3 1351 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,2,0,0,0,1|1,0,0]=4 1352 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,2,0,0,0,1|1,0,0]=4 1353 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)Cl S891975 [0,2,0,0,0,1|0,0,0]=3 1354 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)Cl)Cl S725323 [0,2,0,0,0,1|1,0,0]=4 1355 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,2,0,0,0,1|1,0,0]=4 1356 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)C T168629 [0,2,0,0,0,1|0,0,0]=3 1357 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,2,0,0,0,1|1,0,0]=4 1358 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,2,0,0,0,1|1,0,0]=4 1359 B13R1.2879 NCC(=O)NC1=CC=C(C(=C1)F)F CDS010690 [0,2,0,0,0,1|1,0,0]=4 1360 B13R1.2879 O=C(CBr)NC1=CC(=C(C=C1)F)Cl R763136 [0,2,0,0,0,1|1,0,0]=4 1361 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S188921 [0,2,0,0,0,1|1,0,0]=4 1362 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S746584 [0,2,0,0,0,1|1,0,0]=4 1363 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F JRD0742 [0,2,0,0,0,1|1,0,0]=4 1364 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F TMT00145 [0,2,0,0,0,1|1,0,0]=4 1365 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Br)C)C L168130 [0,2,0,0,0,1|0,0,0]=3 1366 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)C)Br)C S931926 [0,2,0,0,0,1|1,0,0]=4 1367 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl S558451 [0,2,0,0,0,1|1,0,0]=4 1368 B13R1.3528 CC(=O)NC1=CC=C(C(=C1C)C)I L168181 [0,2,0,0,0,1|0,0,0]=3 1369 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)C)Br)C L168122 [0,2,0,0,0,1|0,0,0]=3 1370 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)F)F)F ANV00338 [0,2,0,0,0,1|1,0,0]=4 1371 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S309982 [0,2,0,0,0,1|1,0,0]=4 1372 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S322679 [0,2,0,0,0,1|1,0,0]=4 1373 B13R1.20 CC1=CC=CC(=C1)NC(=O)/C=N/O R361569 [0,2,0,0,0,1|0,0,1]=4 1374 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)F S732389 [0,2,0,0,0,1|1,0,0]=4 1375 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)N R703192 [0,2,0,0,0,1|1,0,0]=4 1376 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)C S646628 [0,2,0,0,0,1|0,0,0]=3 1377 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Br S711098 [0,2,0,0,0,1|1,0,0]=4 1378 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [0,2,0,0,0,1|1,0,0]=4 1379 B13R1.20 CCNC(=S)NC1=CC(=CC=C1)C S553808 [0,2,0,0,0,1|0,1,0]=4 1380 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [0,2,0,0,0,1|1,0,0]=4 1381 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [0,2,0,0,0,1|1,0,0]=4 1382 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,2,0,0,0,1|0,0,0]=3 1383 B13R1.20 N#CCC(=O)NC1=CC(=CC=C1)Cl TMT00163 [0,2,0,0,0,1|1,0,0]=4 1384 B13R1.22 CC1=CC=CC(=C1)N(C)C(=O)CCl TMT00605 [0,2,0,0,0,1|0,0,0]=3 1385 B13R1.22 COC(=O)C(N)C1=CC(=CC=C1)F CDS021188 [0,2,0,0,0,1|1,0,0]=4 1386 B13R1.22 COC(=O)C(N)C1=CC=CC(=C1)C CBR00930 [0,2,0,0,0,1|0,0,0]=3 1387 B13R1.22 COC(=O)N(O)C1=CC(=CC=C1)Cl S857858 [0,2,0,0,0,1|1,0,0]=4 1388 B13R1.40 CC1=C(C=CC=C1Cl)NC(=O)CCl S378038 [0,2,0,0,0,1|1,0,0]=4 1389 B13R1.40 CC1=CC=CC(=C1C)NC(=O)C#N S744239 [0,2,0,0,0,1|0,0,1]=4 1390 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S188840 [0,2,0,0,0,1|0,0,0]=3 1391 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S391727 [0,2,0,0,0,1|0,0,0]=3 1392 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CI L172642 [0,2,0,0,0,1|0,0,0]=3 1393 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Br)C R131431 [0,2,0,0,0,1|1,0,0]=4 1394 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [0,2,0,0,0,1|0,0,0]=3 1395 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [0,2,0,0,0,1|1,0,0]=4 1396 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [0,2,0,0,0,1|0,0,0]=3 1397 B13R1.40 CNC(=O)NC1=CC=CC(=C1Cl)Cl S623687 [0,2,0,0,0,1|1,0,0]=4 1398 B13R1.40 CNC(=O)OC1=CC=CC(=C1C)C PH009025 [0,2,0,0,0,1|0,0,0]=3 1399 B13R1.40 COC(=O)NC1=C(C(=CC=C1)Cl)Cl S638102 [0,2,0,0,0,1|1,0,0]=4 1400 B13R1.40 CS/C(=N/C1=C(C(=CC=C1)C)C)/N PH013516 [0,2,0,0,0,1|1,0,0]=4 1401 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S188891 [0,2,0,0,0,1|1,0,0]=4 1402 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S718033 [0,2,0,0,0,1|1,0,0]=4 1403 B13R1.81 CCC(=O)NC1=CC(=CC=C1)C#N EME00239 [0,2,0,0,0,1|0,0,1]=4 1404 B13R1.81 CCC(=O)NC1=CC(=CC=C1)OC S101311 [0,2,0,0,0,1|0,0,0]=3 1405 B13R1.81 CCC1=CC(=CC=C1)OC(=O)NC S763179 [0,2,0,0,0,1|0,0,0]=3 1406 B13R1.81 CCC1=CC=CC(=C1)NC(=O)CCl TMT00601 [0,2,0,0,0,1|0,0,0]=3 1407 B13R1.81 CNC(=O)NC1=CC=CC(=C1)OC S647217 [0,2,0,0,0,1|0,0,0]=3 1408 B13R1.81 CNC(=S)NC1=CC(=CC=C1)OC TMT00075 [0,2,0,0,0,1|0,1,0]=4 1409 B13R1.81 COC(=O)CC1=CC(=CC=C1)C#N PH003567 [0,2,0,0,0,1|0,0,1]=4 1410 B13R1.81 COC(=O)C[N+]1=CC=CC(=C1)CF S225851 [0,2,0,0,0,1|1,0,0]=4 1411 B13R1.81 COC(=O)NC1=CC(=CC=C1)OC S609366 [0,2,0,0,0,1|0,0,0]=3 1412 B13R1.81 COC1=CC=CC(=C1)NC(=O)CCl S520322 [0,2,0,0,0,1|0,0,0]=3 1413 B13R1.81 CSC1=CC=CC(=C1)NC(=O)CCl S916722 [0,2,0,0,0,1|0,0,0]=3 1414 B13R1.81 N#CC1=CC=CC(=C1)NC(=O)CCl TMT00616 [0,2,0,0,0,1|0,0,1]=4 1415 B13R1.2872 CC1=C(C=C(C=C1)Cl)NC(=O)CCl S378070 [0,2,0,0,0,1|1,0,0]=4 1416 B13R1.2872 CC1=CC(=C(C=C1)C)NC(=O)CCl S746568 [0,2,0,0,0,1|0,0,0]=3 1417 B13R1.2872 CC1=CC(=C(C=C1)Cl)NC(=O)CCl S378003 [0,2,0,0,0,1|0,0,0]=3 1418 B13R1.2872 CC1=CC=C(C(=C1)NC(=O)CI)C L172669 [0,2,0,0,0,1|0,0,0]=3 1419 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)C)Cl S844055 [0,2,0,0,0,1|0,0,0]=3 1420 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)Cl)C S778729 [0,2,0,0,0,1|1,0,0]=4 1421 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)F)F S694797 [0,2,0,0,0,1|1,0,0]=4 1422 B13R1.2872 CNC(=O)NC1=C(C=CC(=C1)C)C S636657 [0,2,0,0,0,1|0,0,0]=3 1423 B13R1.2872 CNC(=O)NC1=CC(=CC=C1C)Cl S611026 [0,2,0,0,0,1|1,0,0]=4 1424 B13R1.2872 CNC(=O)NC1=CC(=CC=C1Cl)Cl S636495 [0,2,0,0,0,1|1,0,0]=4 1425 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [0,2,0,0,0,1|0,0,0]=3 1426 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)C S610194 [0,2,0,0,0,1|1,0,0]=4 1427 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)Cl S594113 [0,2,0,0,0,1|1,0,0]=4 1428 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Br)O R590207 [0,2,0,0,0,1|1,0,0]=4 1429 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Cl)O MNO000017 [0,2,0,0,0,1|1,0,0]=4 1430 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)F)F S916595 [0,2,0,0,0,1|1,0,0]=4 1431 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S188905 [0,2,0,0,0,1|1,0,0]=4 1432 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S921394 [0,2,0,0,0,1|1,0,0]=4 1433 B13R1.2874 CC1=CC(=CC(=C1)NC(=O)C#N)C S744247 [0,2,0,0,0,1|0,0,1]=4 1434 B13R1.2874 CC1=CC(=CC(=C1)NC(=O)CCl)C S483117 [0,2,0,0,0,1|0,0,0]=3 1435 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)C)C S661082 [0,2,0,0,0,1|0,0,0]=3 1436 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)Cl)Cl S698679 [0,2,0,0,0,1|1,0,0]=4 1437 B13R1.2874 O=C(CCl)NC1=CC(=CC(=C1)Cl)Cl S904554 [0,2,0,0,0,1|1,0,0]=4 1438 B13R1.97 COC1=CC(=C(C=C1)O)NC(=O)C S983187 [0,2,0,0,0,1|0,0,0]=3 1439 B13R1.885 CC(=O)NC1=C(C(=CC=C1C)I)C L168416 [0,2,0,0,0,1|1,0,0]=4 1440 B13R1.885 CC1=CC=C(C(=C1F)CC(=O)O)Cl CDS001627 [0,2,0,0,0,1|1,0,0]=4 1441 B13R1.3089 COC1=CC=C(C=C1CC(=O)C)Br PH014737 [0,2,0,0,0,1|1,0,0]=4 1442 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)C PH002939 [0,2,0,0,0,1|0,0,0]=3 1443 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)Cl R591610 [0,2,0,0,0,1|1,0,0]=4 1444 B13R1.3089 CSC1=CC=C(C=C1NC(=O)C)Cl PH009508 [0,2,0,0,0,1|1,0,0]=4 1445 B13R1.641 C=C(C)CC1=CC=CC(=C1O)OC PH007147 [0,2,0,0,0,1|1,0,0]=4 1446 B13R1.716 COC(C(=O)O)C1=CC=CC(=C1)C PH014847 [0,2,0,0,0,1|1,0,0]=4 1447 B13R1.3493 CC1=CC(=CC=C1)C(C)(C)C(=O)O PH010805 [0,2,0,0,0,1|1,0,0]=4 1448 B13R1.373 CC(=O)NC1=CC=CC(=C1)CCO PH016322 [0,2,0,0,0,1|0,0,0]=3 1449 B13R1.373 CCNC1=CC=CC(=C1)NC(=O)C S908711 [0,2,0,0,0,1|0,0,0]=3 1450 B13R1.373 CCOC1=CC=CC(=C1)NC(=O)C S806153 [0,2,0,0,0,1|0,0,0]=3 1451 B13R1.587 CC(=O)OC1=CC=CC(=C1)C(=S)N BOG00004 [0,2,0,0,0,1|0,0,1]=4 1452 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,3,0,0,0,0|1,0,0]=4 1453 B13R1.120 CC1=CC(=CC=C1[N+](=O)[O-])C(=O)N S677752 [0,3,0,0,0,0|1,0,0]=4 1454 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [0,3,0,0,0,0|0,0,0]=3 1455 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [0,3,0,0,0,0|1,0,0]=4 1456 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [0,3,0,0,0,0|1,0,0]=4 1457 B13R1.3088 COC(=O)C1=CC=C(C(=C1)C)CN PH019556 [0,3,0,0,0,0|0,0,0]=3 1458 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N PH009840 [0,3,0,0,0,0|1,0,0]=4 1459 B13R1.3091 COC1=CC=C(N=C1OC)C(=O)C ADE000753 [0,3,0,0,0,0|1,0,0]=4 1460 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)C)O)O TMT00632 [0,3,0,0,0,0|1,0,0]=4 1461 B13R1.13 CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl PH000099 [0,3,0,0,0,0|1,0,0]=4 1462 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,3,0,0,0,0|0,0,1]=4 1463 B13R1.13 CN(C)C1=CC=C(C(=C1)C(=O)N)N CDS023630 [0,3,0,0,0,0|1,0,0]=4 1464 B13R1.49 CCC(=O)C1=CC=C(C(=C1)CCl)O S218766 [0,3,0,0,0,0|0,0,0]=3 1465 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,3,0,0,0,0|0,0,0]=3 1466 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [0,3,0,0,0,0|0,0,0]=3 1467 B13R1.49 COC(=O)C1=CC(=C(C=C1)Cl)CCl PH014274 [0,3,0,0,0,0|0,0,0]=3 1468 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [0,3,0,0,0,0|0,0,0]=3 1469 B13R1.49 COC(=O)C1=CC=C(C(=C1)CBr)Cl PH014541 [0,3,0,0,0,0|0,0,0]=3 1470 B13R1.49 COC(=O)C1=CC=C(C(=C1)CCl)C PH017877 [0,3,0,0,0,0|0,0,0]=3 1471 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,3,0,0,0,0|0,0,0]=3 1472 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,3,0,0,0,0|1,0,0]=4 1473 B13R1.298 COC1=C(C(=CC(=C1)C(=O)C)O)O PH004048 [0,3,0,0,0,0|0,0,0]=3 1474 B13R1.298 COC1=CC(=CC(=C1O)Br)C(=O)O L170933 [0,3,0,0,0,0|1,0,0]=4 1475 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CDS003720 [0,3,0,0,0,0|1,0,0]=4 1476 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)Cl PH017273 [0,3,0,0,0,0|0,0,0]=3 1477 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [0,3,0,0,0,0|0,0,0]=3 1478 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)C)O PH011664 [0,3,0,0,0,0|1,0,0]=4 1479 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [0,3,0,0,0,0|1,0,0]=4 1480 B13R1.1807 CNC(=O)C1=CC(=C(C=C1F)Cl)F PH001890 [0,3,0,0,0,0|1,0,0]=4 1481 B13R1.2398 COC1=C(C=C(C(=C1)C)Cl)C(=O)C JRD1261 [0,3,0,0,0,0|1,0,0]=4 1482 B13R1.2811 CC(=O)C1=C(C(=C(C(=C1)C)O)C)C R733431 [0,3,0,0,0,0|0,0,0]=3 1483 B13R1.2811 CC(=O)C1=C(C(=C(C(=C1)F)F)F)F T340553 [0,3,0,0,0,0|1,0,0]=4 1484 B13R1.2811 CC1=C(C(=C(C(=C1)C(=O)O)C)C)C S35158 [0,3,0,0,0,0|1,0,0]=4 1485 B13R1.2811 CC1=C(C(=C(C=C1Br)C(=O)O)C)C L119466 [0,3,0,0,0,0|1,0,0]=4 1486 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C S53261 [0,3,0,0,0,0|1,0,0]=4 1487 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [0,3,0,0,0,0|0,0,0]=3 1488 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [0,3,0,0,0,0|1,0,0]=4 1489 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [0,3,0,0,0,0|0,0,0]=3 1490 B13R1.466 N#CCC(=O)C1=CC=C(C(=C1)Cl)Cl PH002891 [0,3,0,0,0,0|1,0,0]=4 1491 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O R156752 [0,3,0,0,0,0|0,0,0]=3 1492 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O S463744 [0,3,0,0,0,0|0,0,0]=3 1493 B13R1.1808 COC(=O)C1=CC=C(C(=C1C)C)C S53318 [0,3,0,0,0,0|0,0,0]=3 1494 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)N)N ANV00089 [0,3,0,0,0,0|1,0,0]=4 1495 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)I)N)I R157279 [0,3,0,0,0,0|1,0,0]=4 1496 B13R1.257 CNS(=O)(=O)C1=C(C=CC(=C1)C)C PH000431 [0,3,0,0,0,0|1,0,0]=4 1497 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)F CDS023303 [0,3,0,0,0,0|1,0,0]=4 1498 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [0,3,0,0,0,0|1,0,0]=4 1499 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [0,3,0,0,0,0|1,0,0]=4 1500 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [0,3,0,0,0,0|1,0,0]=4 1501 B13R1.446 CCCC(=O)C1=C(C=CC(=C1)C)O PH004501 [0,3,0,0,0,0|0,0,0]=3 1502 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [0,3,0,0,0,0|1,0,0]=4 1503 B13R1.450 CCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344397 [0,3,0,0,0,0|1,0,0]=4 1504 B13R1.450 CCOC(=O)C1=CC(=NC(=C1)C)Cl JRD0891 [0,3,0,0,0,0|1,0,0]=4 1505 B13R1.460 CCCC(=O)C1=CC=CC(=C1)OC PH010216 [0,3,0,0,0,0|0,0,0]=3 1506 B13R1.460 CCNC(=O)C1=CC(=CC=C1)C#N EME00414 [0,3,0,0,0,0|0,0,1]=4 1507 B13R1.460 CCOC(=O)C1=CC=CC(=C1)NN CBR00739 [0,3,0,0,0,0|1,0,0]=4 1508 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC TMT00631 [0,3,0,0,0,0|0,0,0]=3 1509 B13R1.82 CCC1=C(C(=CC=C1)C(=O)OC)I S663417 [0,3,0,0,0,0|0,0,0]=3 1510 B13R1.82 COC(=O)C1=C(C(=CC=C1)OC)C KOB0145 [0,3,0,0,0,0|0,0,0]=3 1511 B13R1.82 COC(=O)C1=CC=CC(=C1N)OC CDS023454 [0,3,0,0,0,0|0,0,0]=3 1512 B13R1.107 COC(=O)C1=C(C(=CC=C1)C)OC PH011141 [0,3,0,0,0,0|0,0,0]=3 1513 B13R1.107 COC1=C(C=CC=C1C)C(=O)NN R701270 [0,3,0,0,0,0|1,0,0]=4 1514 B13R1.1822 COC(=O)C1=C(C=CC(=C1N)F)F CDS023768 [0,3,0,0,0,0|1,0,0]=4 1515 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)C)C JRD1481 [0,3,0,0,0,0|0,0,0]=3 1516 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010709 [0,3,0,0,0,0|1,0,0]=4 1517 B13R1.4789 COC(=O)C1=C(C(=CC(=C1)Br)Br)O TMT00127 [0,3,0,0,0,0|1,0,0]=4 1518 B13R1.4789 COC(=O)C1=C(C(=CC(=C1)C)N)O PH015506 [0,3,0,0,0,0|0,0,0]=3 1519 B13R1.4789 COC(=O)C1=CC(=CC(=C1C)N)Br CDS022798 [0,3,0,0,0,0|1,0,0]=4 1520 B13R1.4789 O=C(CBr)C1=C(C(=CC(=C1)Cl)Cl)F L446629 [0,3,0,0,0,0|1,0,0]=4 1521 B13R1.2209 COC(=O)C1=CC(=CC=C1OC)N PH011320 [0,3,0,0,0,0|1,0,0]=4 1522 B13R1.2209 COC1=CC=C(C=C1C(=O)CBr)Br JRD0373 [0,3,0,0,0,0|1,0,0]=4 1523 B13R1.2431 CCC(=O)C1=C(C=CC(=C1)CC)O JRD1479 [0,3,0,0,0,0|0,0,0]=3 1524 B13R1.2431 CCC1=CC=C(C(=C1)C(=O)OC)O JRD0887 [0,3,0,0,0,0|0,0,0]=3 1525 B13R1.2431 COC(=O)C1=C(C=CC(=C1)C#N)N CDS021115 [0,3,0,0,0,0|0,0,1]=4 1526 B13R1.2431 COC(=O)C1=C(N=CC(=C1)OC)Cl PHB00086 [0,3,0,0,0,0|1,0,0]=4 1527 B13R1.314 CCC1=NC(=CC(=C1)C(=O)OC)O JRD1293 [0,3,0,0,0,0|1,0,0]=4 1528 B13R1.374 CCOC1=CC(=CC=C1)C(=O)NN PH011686 [0,3,0,0,0,0|1,0,0]=4 1529 B13R1.374 COC(=O)C1=CC(=CC=C1)CC=O PH018742 [0,3,0,0,0,0|0,0,0]=3 1530 B13R1.543 CNC(=O)C1=CC(=CC=C1)B(O)O CDS005185 [0,3,0,0,0,0|1,0,0]=4 1531 B13R1.543 CNC(=O)C1=CC=CC(=C1)[N+](=O)[O-] PH002586 [0,3,0,0,0,0|1,0,0]=4 1532 B13R1.543 COC(=O)C1=CC=CC(=C1)C(=N)N PH015012 [0,3,0,0,0,0|0,0,1]=4 1533 B13R1.543 COC(=O)C1=CC=CC(=C1)C(=O)N PH014534 [0,3,0,0,0,0|0,0,1]=4 1534 B13R1.543 COC(=O)C1=CC=CC(=C1)N(C)C PH011128 [0,3,0,0,0,0|0,0,0]=3 1535 B13R1.543 O=C(O)C1=CC=CC(=C1)C(=O)CBr CDS004228 [0,3,0,0,0,0|0,0,1]=4 1536 B13R1.2818 CC(=O)C1=C(C(=CC(=C1C)C)C)C S109649 [0,3,0,0,0,0|0,0,0]=3 1537 B13R1.2818 CC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)Cl S828653 [0,3,0,0,0,0|1,0,0]=4 1538 B13R1.2818 CC(=O)C1=C(C(=CC(=C1O)Cl)Cl)O PH007353 [0,3,0,0,0,0|1,0,0]=4 1539 B13R1.2818 CC1=C(C(=C(C(=C1)Cl)C)C(=O)O)C PH009148 [0,3,0,0,0,0|1,0,0]=4 1540 B13R1.2818 CC1=CC(=C(C(=C1C)C(=O)O)Cl)C PH009149 [0,3,0,0,0,0|1,0,0]=4 1541 B13R1.3255 COC1=C(C=C(C=C1Cl)Cl)C(=O)C PH011140 [0,3,0,0,0,0|1,0,0]=4 1542 B13R1.345 CC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl CDS000777 [0,3,0,0,0,0|1,0,0]=4 1543 B13R1.345 CC(C)(O)C1=CC=CC(=C1)C(=O)O PH017372 [0,3,0,0,0,0|1,0,0]=4 1544 B13R1.345 CS(=O)(=O)C1=CC(=CC=C1)C(=O)N EME00435 [0,3,0,0,0,0|1,0,0]=4 1545 B13R1.345 CS(=O)(=O)C1=CC(=CC=C1)C(=O)O CDS004817 [0,3,0,0,0,0|1,0,0]=4 1546 B13R1.345 O=C(F)C1=CC=CC(=C1)C(F)(F)F S461377 [0,3,0,0,0,0|1,0,0]=4 1547 B13R1.295 CC(=O)C1=CC=CC(=C1[N+](=O)[O-])N PH008296 [0,3,0,0,0,0|1,0,0]=4 1548 B13R1.2137 COC1=C(C(=CC=C1)C(=O)C)OC IDF00009 [0,3,0,0,0,0|0,0,0]=3 1549 B13R1.2137 COC1=C(C(=CC=C1)C(=O)N)OC S751898 [0,3,0,0,0,0|1,0,0]=4 1550 B13R1.3340 CC1=CC=C(C(=C1N=[NH2+])C(=O)O)C S35433 [0,3,0,0,0,0|1,0,0]=4 1551 B13R1.3097 COC1=CC=C(C(=C1C)C(=O)O)Br KOB0168 [0,3,0,0,0,0|1,0,0]=4 1552 B13R1.3097 COC1=CC=C(C(=C1F)C(=O)O)F CDS020918 [0,3,0,0,0,0|1,0,0]=4 1553 B13R1.165 CC(=O)C1=C(C=CC(=C1)C)[N+](=O)[O-] UPL0035 [0,3,0,0,0,0|0,0,0]=3 1554 B13R1.165 CC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] PH005168 [0,3,0,0,0,0|1,0,0]=4 1555 B13R1.165 CC(=O)C1=CC(=CC=C1S(=O)C)C S707120 [0,3,0,0,0,0|0,0,0]=3 1556 B13R1.2430 COC1=CC=C(C(=C1)C(=O)Cl)OC PH016681 [0,3,0,0,0,0|1,0,0]=4 1557 B13R1.387 CCOC1=CC(=C(C=C1)N)C(=O)N CDS024009 [0,3,0,0,0,0|1,0,0]=4 1558 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,0,1,1,0,0|1,0,0]=4 1559 B11R1.25 CCC(=O)/C=C/C1=CC=CN1 L167339 [0,1,1,1,0,0|1,0,0]=4 1560 B11R1.25 COC(=O)/C=C/C1=CC=CS1 PH011225 [0,1,1,1,0,0|1,0,0]=4 1561 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,1,0,1,0,0|1,0,0]=4 1562 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,1,0,1,0,0|0,0,1]=4 1563 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,1,0,1,0,0|0,0,0]=3 1564 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,1,0,1,0,0|1,0,0]=4 1565 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,0,0,1,0,2|1,0,0]=4 1566 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,0,0,1,0,2|1,0,0]=4 1567 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,0,0,1,0,2|1,0,0]=4 1568 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,0,0,1,0,2|1,0,0]=4 1569 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,0,0,1,0,2|1,0,0]=4 1570 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,1,0,1,0,1|1,0,0]=4 1571 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C S439428 [0,1,0,1,0,1|0,0,1]=4 1572 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)C S544353 [0,1,0,1,0,1|1,0,0]=4 1573 B13R2.13083 CC1=NC2=CC(=C(C=C2S1)C)C R367850 [0,1,0,1,0,1|0,1,0]=4 1574 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,1,0,1,0,1|1,0,0]=4 1575 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [0,1,0,1,0,1|1,0,0]=4 1576 B13R2.43 CC1=CC2=C(C=C1)NC(=C2)CN CDS002244 [0,1,0,1,0,1|1,0,0]=4 1577 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CBR00795 [0,1,0,1,0,1|1,0,0]=4 1578 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CDS022409 [0,1,0,1,0,1|1,0,0]=4 1579 B13R2.43 CC1=CC=C2N=C(OC2=C1)CCl CDS016274 [0,1,0,1,0,1|1,0,0]=4 1580 B13R2.43 CC1=CC=C2NC(=NC2=C1)CN CBR00627 [0,1,0,1,0,1|1,0,0]=4 1581 B13R2.43 CCC1=NC2=C(N1)C=C(C=C2)C PH010521 [0,1,0,1,0,1|1,0,0]=4 1582 B13R2.54 CC1=C2N=C(OC2=CC=C1)CN CBR00881 [0,1,0,1,0,1|1,0,0]=4 1583 B13R2.54 CC1=CC=CC2=C1N=C(N2)CN CBR01358 [0,1,0,1,0,1|1,0,0]=4 1584 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 ADE001276 [0,1,0,1,0,1|1,0,0]=4 1585 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,1,0,1|1,0,0]=4 1586 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,1|1,0,0]=4 1587 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,1,0,1,0,1|1,0,0]=4 1588 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,1,0,1,0,1|1,0,0]=4 1589 B13R2.4856 CC1=CC=CC2=C1C(C(=O)N2)N T317225 [0,1,0,1,0,1|0,0,0]=3 1590 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,1,0,1|0,0,1]=4 1591 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,1,0,1|1,0,0]=4 1592 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,1|1,0,0]=4 1593 B13R2.5397 CC1=CC2=C(SC(=N2)C)C(=C1)C L203300 [0,1,0,1,0,1|0,1,0]=4 1594 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,1,0,1,0,1|1,0,0]=4 1595 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,1,0,1,0,1|1,0,0]=4 1596 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,1,0,1|1,0,0]=4 1597 B13R2.581 COC1=C2SC(=NC2=CC=C1)C PH003522 [0,1,0,1,0,1|0,1,0]=4 1598 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,1,0,1,0,1|0,0,1]=4 1599 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 PH010650 [0,2,0,1,0,0|0,0,0]=3 1600 B13R2.430 CS(=O)C1=CC2=C(C=C1)NCC2 PH018437 [0,2,0,1,0,0|1,0,0]=4 1601 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 S242586 [0,2,0,1,0,0|1,0,0]=4 1602 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [0,2,0,1,0,0|1,0,0]=4 1603 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [0,2,0,1,0,0|1,0,0]=4 1604 B13R2.430 O=C(O)C1=CC=C2NCCC2=C1 CDS019637 [0,2,0,1,0,0|1,0,0]=4 1605 B13R2.2136 CC1=CC=C2NN=C(C2=C1)CN CDS019387 [0,2,0,1,0,0|1,0,0]=4 1606 B13R2.342 CC1=CC=CC2=C1OCCC2=O PH014564 [0,2,0,1,0,0|0,0,0]=3 1607 B13R2.342 O=C1CCCC2=C(C=CC=C12)Br PH014623 [0,2,0,1,0,0|1,0,0]=4 1608 B13R2.342 O=C1CCOC2=C1C=CC=C2F PH015252 [0,2,0,1,0,0|1,0,0]=4 1609 B13R2.5151 CC1=CC=C(C2=C1C(=O)CC2)O S740462 [0,2,0,1,0,0|1,0,0]=4 1610 B13R2.5151 O=C1CCC2=C1C(=CC=C2Cl)O CDS007876 [0,2,0,1,0,0|1,0,0]=4 1611 B13R2.5151 O=C1CSC2=C1C(=CC=C2Cl)Cl S742422 [0,2,0,1,0,0|1,0,0]=4 1612 B13R2.3742 CC1=CC(=CC2=C1SCC2=O)Cl S741671 [0,2,0,1,0,0|0,0,0]=3 1613 B13R2.3742 O=C1CCC2=C(C=C(C=C12)F)Cl RNI00131 [0,2,0,1,0,0|1,0,0]=4 1614 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [0,2,0,1,0,0|0,0,0]=3 1615 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 CDS015304 [0,2,0,1,0,0|1,0,0]=4 1616 B13R1.149 CC(=O)N/N=C/C1=CC(=CC=C1)F S925101 [0,0,0,0,0,3|1,0,0]=4