0 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,0,0,0,0|2,1,0]=3 25 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [0,0,0,0,0,0|2,1,0]=3 26 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,0,0,0,0|0,0,0]=0 27 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,0,0,0,0|0,0,1]=1 28 B10R1.13 NC1=NN=C(CS1)C(=O)O SYX00097 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.13 O=[N+]([O-])C1=CC=C(N=C1)S PH009935 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 OB(O)C1=CC=C(C=N1)Cl CDS002921 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|1,1,1]=4 42 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|1,1,1]=4 58 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|0,0,2]=3 68 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|0,0,1]=2 69 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.3 C#CC1=CC=C(C=C1)B(O)O CDS007602 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,1,0,0,0,0|2,1,0]=4 78 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,1,0,0,0,0|2,1,0]=4 79 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.3 CNC1=CC=C(C=N1)B(O)O CDS023687 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,1,0,0,0,0|2,1,0]=4 88 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S201537 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S985945 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)Br PH010299 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] CDS021472 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R428396 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R461695 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R646989 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R647012 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R662836 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R786624 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S22714 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S241970 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S244112 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283258 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283304 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S292257 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S312258 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S384585 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S47512 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S487325 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638765 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638862 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S64670 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S922897 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T306266 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.19 CC1=CC=C(C=N1)S(=O)(=O)O PH015233 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47717 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47814 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.19 NC1=CC=C(C=N1)S(=O)(=O)N CDS012618 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)Br S714526 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)Cl S415510 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.19 O=S(=O)([S-])C1=CC=C(C=C1)Cl S47725 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,1,0,0,0,0|2,1,0]=4 165 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,1,0,0,0,0|2,1,0]=4 169 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,1,0,0,0,0|2,1,0]=4 177 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,1,0,0,0,0|2,1,0]=4 178 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,1,0,0,0,0|2,1,0]=4 179 B11R1.21 NC1=CC(=CC=C1Cl)B(O)O CDS020054 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.21 NC1=CC(=CC=C1F)B(O)O BML00197 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)I S755303 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br CDS000944 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br SYX00309 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Cl CDS004650 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.22 NC1=CC=C(N=C1)/C(=N/O)/N BOG00016 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,1,0,0,0,0|1,1,0]=3 257 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,1,0,0,0,0|2,1,0]=4 258 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,0,0|0,0,0]=1 259 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,1,0,0,0,0|1,0,1]=3 261 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,0,0|0,0,1]=2 263 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CDS009934 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.166 NC1=NC=C(C(=C1)Br)[N+](=O)[O-] PHB00263 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.166 OB(O)C1=C(C=C(C=C1)F)Cl CDS003472 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.166 OB(O)C1=CC=C(C=C1F)Br SYX00006 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.166 OB(O)C1=CC=C(C=C1F)Cl BML00162 [0,1,0,0,0,0|2,0,1]=4 275 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [0,0,1,0,0,0|2,0,1]=4 276 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,1,0|3,0,0]=4 277 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,0,0,0,1,0|2,0,1]=4 281 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,0,0,0,1,0|3,0,0]=4 282 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,0,0,0,1,0|3,0,0]=4 287 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,0,0,0,1,0|1,0,0]=2 288 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,0,0,0,1,0|2,0,0]=3 290 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,0,0,0,1,0|2,0,0]=3 291 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O CDS007467 [0,0,0,0,1,0|0,0,3]=4 292 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,0,0,0,1,0|3,0,0]=4 293 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,0,0,0,1,0|2,0,0]=3 294 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,0,0,0,1,0|3,0,0]=4 295 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,0,0,0,1,0|3,0,0]=4 296 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,0,0,0,1,0|2,0,0]=3 297 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,0,0,0,1,0|3,0,0]=4 298 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,0,0,0,1,0|3,0,0]=4 301 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,0,0,0,0,1|3,0,0]=4 302 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,0,0,0,0,1|3,0,0]=4 303 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,0,0,0,1|2,0,0]=3 304 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,0,0,0,1|2,0,0]=3 305 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,0,0,0,0,1|3,0,0]=4 306 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,0,0,0,1|2,0,0]=3 307 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,0,0,0,1|2,0,0]=3 309 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,0,0,0,0,1|3,0,0]=4 310 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,0,0,0,0,1|3,0,0]=4 311 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,0,1|2,0,0]=3 312 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,0,0,0,0,1|2,0,1]=4 313 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,0,0,0,0,1|2,0,1]=4 314 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,0,0,0,1|2,0,0]=3 315 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,0,0,0,1|2,0,0]=3 316 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,0,0,0,0,1|3,0,0]=4 317 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,0,0,0,0,1|3,0,0]=4 318 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,0,0,0,1|2,0,0]=3 319 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,0,0,0,0,1|2,1,0]=4 320 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,0,0,0,0,1|2,0,0]=3 321 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,0,0,0,0,1|3,0,0]=4 322 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,0,0,0,0,1|3,0,0]=4 323 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,0,0,0,0,1|2,0,0]=3 324 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,0,0,0,0,1|2,0,0]=3 325 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,0,0,0,0,1|2,0,0]=3 326 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,0,0,0,0,1|2,1,0]=4 327 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,0,0,0,0,1|2,1,0]=4 328 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,0,0,0,0,1|2,1,0]=4 329 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,0,0,0,0,1|0,1,0]=2 330 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,0,0,0,0,1|2,0,0]=3 331 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,0,0,0,0,1|2,0,0]=3 332 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,0,0,0,0,1|2,0,0]=3 333 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,0,0,0,0,1|2,1,0]=4 334 B11R1.20 S=C(Cl)SC1=CC=C(C=C1)Cl PH007816 [0,0,0,0,0,1|2,1,0]=4 335 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [1,0,1,0,0,0|0,0,2]=4 336 B8R0.28 N=C(N)S/C=C\C(=O)O PH006862 [1,0,1,0,0,0|2,0,0]=4 337 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 344 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|1,1,0]=4 354 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 C[N+]1=CC=C(C=C1)/C=N/O S935689 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.1 [O-][N+]1=CC=C(C=C1)C=NO PH008962 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.25 NC1=NC=C(C(=N1)N)C=O CDS013913 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [1,1,0,0,0,0|0,0,2]=4 403 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|0,1,0]=3 407 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|0,0,1]=3 414 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|1,1,0]=4 420 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|0,0,0]=2 431 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|0,0,1]=3 436 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|0,2,0]=4 441 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|1,1,0]=4 445 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,1,0,0,1,0|2,0,0]=4 474 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.14 COC(=O)C1=CN=C(S1)N PH011707 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.14 COC(=O)C1=COC(=N1)N SYX00318 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,1,0,0,1,0|2,0,0]=4 480 B10R1.31 N#CC1=CNC(=C1)C(=O)O CDS006896 [0,1,0,0,1,0|1,0,1]=4 481 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,1,0,0,1,0|1,0,0]=3 482 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Br PH010473 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,1,0|2,0,0]=4 488 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,1,0|2,0,0]=4 491 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,1,0,0,0,1|2,0,0]=4 493 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,1,0,0,0,1|1,0,1]=4 494 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,1,0,0,0,1|2,0,0]=4 495 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,1,0,0,0,1|2,0,0]=4 496 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,1,0,0,0,1|2,0,0]=4 499 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,1,0,0,0,1|2,0,0]=4 500 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,1,0,0,0,1|1,0,0]=3 501 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,1,0,0,0,1|2,0,0]=4 502 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,0,1|1,0,0]=3 508 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,1|1,0,0]=3 515 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,0,1|1,0,0]=3 516 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,1,0,0,0,1|1,0,0]=3 519 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,0,1|1,0,0]=3 520 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,0,1|1,0,0]=3 521 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,0,1|0,0,0]=2 522 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,0,1|1,0,0]=3 523 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,0,1|1,0,0]=3 531 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,0,1|2,0,0]=4 532 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,0,1|2,0,0]=4 533 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,1|1,0,0]=3 539 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,1|1,0,0]=3 540 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,1|0,0,0]=2 541 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,1,0,0,0,1|1,0,0]=3 544 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,1,0,0,0,1|1,0,0]=3 545 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,1,0,0,0,1|1,1,0]=4 557 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,0,0,0,1|1,0,0]=3 558 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,0,0,0,1|1,0,0]=3 559 B12R1.106 O=P(O)(O)CC1=CC=C(C=C1)I PH006094 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)N CDS023415 [0,1,0,0,0,1|2,0,0]=4 574 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,1,0,0,0,1|2,0,0]=4 575 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,0,1|1,0,0]=3 577 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.233 NC1=NC(=O)N(C=C1)CC(=O)O PH016067 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.233 NC1=NC=C(C(=N1)O)CC(=O)O CDS016798 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.233 O=C(O)CC1=C(C=C(C=N1)Cl)F CDS023951 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [0,1,0,0,0,1|1,0,0]=3 583 B12R1.5 CCC1=CC=C(C=C1)/C(=N\O)/N BOG00048 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N EME00409 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,2,0,0,0,0|0,0,0]=2 590 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.5 COC(=O)C1=CC=C(N=C1)C=O CDS016358 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.5 COC1=CC=C(C=C1)C(=NO)N PH009929 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.5 N#CC1=CC=C(C=C1)C(=O)N[O-] S302767 [0,2,0,0,0,0|0,0,2]=4 599 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [0,2,0,0,0,0|0,0,1]=3 600 B12R1.6 CCC1=CC=C(C=C1)P(=O)(O)O S915955 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.6 CNC1=CC=C(C=C1)S(=O)(=O)O R435244 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.6 COC1=CC=C(C=C1)P(=O)(O)O S545821 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CN CDS004083 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)NN PH010667 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.6 N#CC1=CC=C(C=C1)S(=O)(=O)O S128147 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.6 NNC1=CC=C(C=C1)S(=O)(=O)N CDS003887 [0,2,0,0,0,0|1,0,1]=4 607 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [0,2,0,0,0,0|0,0,1]=3 608 B12R1.48 CNC1=CC=C(C=C1C)[N+](=O)[O-] PH011346 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.48 CNC1=CC=C(C=C1Cl)[N+](=O)[O-] PH011348 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [0,2,0,0,0,0|0,0,1]=3 616 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.113 CC(=O)C1=CC=C(C=C1)N=[N+]=[N-] CDS003883 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.113 CCNC1=NC=C(C=N1)C(=O)O CBR00496 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.113 NCCC1=CC=C(C=C1)[N+](=O)[O-] OTV000173 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [0,2,0,0,0,0|0,0,0]=2 633 B12R1.256 NC(=S)C1=CC=C(C=C1)C(=S)N BOG00127 [0,2,0,0,0,0|1,1,0]=4 634 B12R1.256 NC(=S)C1=CC=C(C=C1)[N+](=O)[O-] BOG00007 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] S175684 [0,2,0,0,0,0|0,0,1]=3 636 B12R1.256 O=C(S)C1=CC=C(C=C1)C(=O)S S427888 [0,2,0,0,0,0|1,1,0]=4 637 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CO PH009052 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)O[TlH2] S826154 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.9 NC1=CC=C(C=C1)S(=O)(=O)CCl T163201 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.9 NC1=CC=C(C=C1)S(=O)(=O)O[TlH2] S826138 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.23 CC1=CC(=CC=C1N)S(=O)(=O)O T332895 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)O S518506 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)N S448281 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)N CDS007881 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)O S438774 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH014373 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH018106 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.126 NC1=CC(=C(C=C1)S(=O)(=O)O)N R397156 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)Cl)Cl PH014379 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)F)F PH015778 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.126 O=S(=O)(O)C1=CC=C(C=C1F)F PH018105 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.232 NC1=C(C=C(C(=C1)Cl)[N+](=O)[O-])N PH011132 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,2,0,0,0,0|0,0,0]=2 679 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.367 CC1=C(C=C(C=C1)/C(=N/N)/O)I JRD1340 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [0,2,0,0,0,0|1,0,0]=3 696 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)F)F BOG00015 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.367 O=C(CBr)C1=CC(=C(C=C1)F)Cl L446610 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.367 O=C(CBr)C1=CC=C(C(=C1)F)F CDS016555 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl PH015483 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.1005 CC1=C(C(=O)C=C(O1)C(=O)O)C T310166 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.1005 CC1=C(C=C(C=C1Cl)C(=O)O)N PH018740 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)N PH011653 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N CDS019647 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.1005 CC1=CC(=CC(=C1N)Cl)[N+](=O)[O-] PH000342 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.1005 NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br R462365 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.1005 NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br R531197 [0,2,0,0,0,0|1,0,1]=4 722 B12R1.1005 NC1=CC(=CC(=C1Cl)Cl)C(=O)O PH015088 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.1005 O=C(Cl)C1=CC(=C(C(=C1)I)I)I S872946 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)F)F CDS022145 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.12 CC/C(=N\O)/C1=CC=C(C=C1)Cl PH007820 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.16 N#CSC(=O)C1=CC=C(C=C1)Cl PH008446 [0,2,0,0,0,0|1,1,0]=4 742 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.16 O=C(N=C=S)C1=CC=C(C=C1)Br PH000411 [0,2,0,0,0,0|1,1,0]=4 744 B12R1.16 O=S(CCO)C1=CC=C(C=C1)Cl T252719 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.1703 COC(=O)C1=CN=C(N=C1Cl)N PH017879 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.1703 COC(=O)C1=NC=C(C=C1F)Br ADE000142 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.1703 COC(=O)C1=NC=C(C=C1N)Br ADE000144 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.1703 COC(=O)C1=NC=C(N=C1Cl)N PH018846 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.57 CCC1=NC(=NC=C1C(=O)O)N PH018783 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)N)C S356611 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.1000 CC1=CC(=C(C(=C1)C)S(=O)O)C S798894 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)O)C T321648 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.1000 CC1=CC(=O)NC(=C1C(=O)O)C CBR01649 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S457507 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S946400 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O PH005103 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.1000 O=C([O-])C1=C(C=C(C=C1O)O)O S504165 [0,2,0,0,0,0|1,0,1]=4 794 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 795 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,1,0,1|2,0,0]=4 796 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,0,0,1,0,1|2,0,0]=4 797 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,0,0,1,0,1|2,0,0]=4 798 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,1,0,1|2,0,0]=4 799 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,0,0,1,0,1|1,1,0]=4 800 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,0,0,1,0,1|2,0,0]=4 801 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,1,0,1|1,0,0]=3 802 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [0,0,0,1,0,1|0,2,0]=4 803 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,0,1|2,0,0]=4 804 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,1,0,1|1,0,0]=3 805 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,1,0,1|1,0,0]=3 806 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,1,0,1|1,1,0]=4 807 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,1,0,1|2,0,0]=4 808 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,0,0,1,0,1|2,0,0]=4 809 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,1,0,1|1,1,0]=4 810 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,0,0,1,0,1|2,0,0]=4 811 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,0,0,1,0,1|2,0,0]=4 812 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|0,0,0]=2 814 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,1,0,1,0,0|1,0,1]=4 819 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|2,0,0]=4 820 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|2,0,0]=4 821 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|1,0,0]=3 822 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,1,0|2,0,0]=4 823 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,1,0|2,0,0]=4 824 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,1,0|2,0,0]=4 825 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [1,0,0,0,1,0|2,0,0]=4 826 B8R1.7 O=C(O)C1=CSN=C1 T312894 [1,0,0,0,1,0|2,0,0]=4 827 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,0,0,0,1,0|2,0,0]=4 828 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,1|2,0,0]=4 829 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,1|2,0,0]=4 830 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,1|2,0,0]=4 831 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,1|2,0,0]=4 832 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,1|2,0,0]=4 833 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,1|2,0,0]=4 834 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,1|2,0,0]=4 835 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,1|2,0,0]=4 836 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,1|1,0,0]=3 837 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [1,0,0,0,0,1|2,0,0]=4 838 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,1|1,0,1]=4 839 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,1|1,0,1]=4 840 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,1|1,0,1]=4 841 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,0,0,0,0,2|2,0,0]=4 842 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,0,0,0,0,2|2,0,0]=4 843 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,0,0,0,0,2|2,0,0]=4 844 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,0,0,0,0,2|2,0,0]=4 845 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,0,0,0,0,2|2,0,0]=4 846 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,0,0,0,0,2|2,0,0]=4 847 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,0,0,0,0,2|2,0,0]=4 848 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,0,0,0,0,2|2,0,0]=4 849 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,0,0,0,0,2|1,0,0]=3 850 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,0,0,0,0,2|2,0,0]=4 851 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,0,0,0,0,2|2,0,0]=4 852 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,0,0,0,0,2|2,0,0]=4 853 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,0,0,0,0,2|2,0,0]=4 854 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,0,0,0,0,2|1,0,0]=3 855 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,0,0,0,0,2|2,0,0]=4 856 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,0,0,0,0,2|0,0,0]=2 857 B12R1.21 NC1=NC=C(C=N1)/C=C/C(=O)O CBR00472 [0,0,0,0,0,2|2,0,0]=4 858 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,0,0,0,0,2|1,0,0]=3