0 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.3 CCC1=NC=C(C=N1)C#N CBR01503 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.3 N#CC1=CC=C(C=N1)CN CDS007218 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [0,0,0,0,0,0|1,0,1]=2 21 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,1,0,0,0,0|0,0,2]=3 51 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,1,0,0,0,0|0,0,2]=3 57 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,1,0,0,0,0|0,0,2]=3 58 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.3 CN(C)C1=CC=C(C=N1)C=O CDS015705 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.3 ClCC1=CC=C(C=C1)C(Cl)Cl PH007301 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,1,0,0,0,0|0,0,2]=3 73 B11R1.83 C(=O)C1=CN=C(N=C1)SCC CBR00455 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,1,0,0,0,0|0,0,2]=3 76 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.83 CCC1=CN=C(C=C1)CNC CBR01310 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.83 CCCC1=NC=C(C=N1)C=O PH017947 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.83 CCOC1=CN=C(C=C1)CCl CDS024452 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.279 BrCC1=CC=C(C(=C1)Br)CBr T306096 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.279 CC1=CC(=CC=C1CBr)C#N CDS024330 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,1,0,0,0,0|0,0,2]=3 96 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.279 N#CC1=CC=C(C=C1F)CBr CDS008858 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.21 CCC1=NC(=CN1)C=O PH017761 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [0,0,0,0,1,0|2,0,0]=3 112 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,0]=2 114 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,0]=2 115 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,0]=2 116 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|0,0,1]=3 139 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|0,0,1]=3 141 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.1 C[N+]1=CC=C(C=C1)/C=N/O S935689 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,1,0,0,1,0|2,0,0]=4 222 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [0,1,0,0,0,1|2,0,0]=4 224 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.5 CCC1=CC=C(C=C1)/C(=N\O)/N BOG00048 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,2,0,0,0,0|0,0,1]=3 227 B12R1.5 CCN(C)C1=CC=C(C=C1)C=O CDS023138 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.5 COC1=CC=C(C=C1)C(=NO)N PH009929 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,2,0,0,0,0|1,0,1]=4 240 B12R1.6 CCC1=CC=C(C=C1)P(=O)(O)O S915955 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)Cl R436526 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O CDS003885 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.6 CSC1=CC=C(C=C1)C(C)(C)C S918202 [0,2,0,0,0,0|1,0,1]=4 245 B12R1.48 CC(C)C1=CC=C(C(=C1)F)CN PH019497 [0,2,0,0,0,0|1,0,1]=4 246 B12R1.48 CC1=CC(=CC=C1C=O)N(C)C PH010205 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.48 CCC1=CC=C(C=C1Cl)[N+](=O)[O-] S770396 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.48 CCC1=CC=C(C=C1N)[N+](=O)[O-] S752118 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.48 COC1=C(C=C(C=C1)C(=S)N)Br OTV000260 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [0,2,0,0,0,0|0,0,1]=3 255 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [0,2,0,0,0,0|1,0,1]=4 257 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [0,2,0,0,0,0|0,0,2]=4 258 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S S648868 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N VBP00035 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [0,2,0,0,0,0|1,0,1]=4 266 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.113 NCCC1=CC=C(C=C1)[N+](=O)[O-] OTV000173 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.113 O=[N+]([O-])C1=CC=C(C=C1)/C=C/Br S34933 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,2,0,0,0,0|1,0,1]=4 270 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,2,0,0,0,0|0,0,1]=3 271 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,2,0,0,0,0|0,0,1]=3 272 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O CDS013712 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.256 CC(Cl)C1=CC=C(C=C1)[N+](=O)[O-] S799831 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.256 CC(O)C1=CC=C(C=C1)C(C)O R581933 [0,2,0,0,0,0|0,0,2]=4 277 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,2,0,0,0,0|0,0,2]=4 282 B12R1.4 C(=O)C1=CC=C(C=C1)C=C(Br)Br T304247 [0,2,0,0,0,0|1,0,1]=4 283 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.4 C=CC1=CN=C(C=C1)NC(=O)C PH016842 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,2,0,0,0,0|1,0,1]=4 287 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,2,0,0,0,0|1,0,0]=3 289 B12R1.4 CCC1=CC=C(C=C1)NC(=N)N S614599 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,2,0,0,0,0|0,0,1]=3 291 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N PH011444 [0,2,0,0,0,0|1,0,0]=3 293 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,2,0,0,0,0|1,0,1]=4 294 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,2,0,0,0,0|1,0,1]=4 295 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,2,0,0,0,0|1,0,1]=4 301 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,2,0,0,0,0|1,0,1]=4 302 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.71 C(=O)C1=CC=C(C=C1)OCCBr S428620 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,2,0,0,0,0|1,0,0]=3 306 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.71 CCC1=CC=C(C=C1)OCCN R414301 [0,2,0,0,0,0|0,0,2]=4 308 B12R1.71 CCCCC1=CC=C(C=C1)CN CDS001572 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [0,2,0,0,0,0|1,0,1]=4 312 B12R1.71 N#CCOC1=CC=C(C=C1)C=O KOB0059 [0,2,0,0,0,0|1,0,1]=4 313 B12R1.71 O=CC1=CC=C(C=C1)OCCO PH010575 [0,2,0,0,0,0|1,0,0]=3 314 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [0,2,0,0,0,0|1,0,1]=4 315 B12R1.114 C(=O)C1=CC(=C(C=C1)OCC)Br CDS021544 [0,2,0,0,0,0|1,0,0]=3 316 B12R1.114 CCC1=CC=C(C(=C1)F)CCN PH018892 [0,2,0,0,0,0|0,0,2]=4 317 B12R1.114 CCNC1=CC=C(C=C1C)N=O PH007091 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [0,2,0,0,0,0|1,0,1]=4 319 B12R1.114 CCOC1=CC=C(C=C1C)C=O CDS022250 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.114 COC1=CC(=C(C=C1)NC=O)C S626082 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [0,2,0,0,0,0|1,0,0]=3 322 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [0,2,0,0,0,0|0,0,2]=4 323 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [0,2,0,0,0,0|0,0,2]=4 324 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [0,2,0,0,0,0|0,0,2]=4 325 B12R1.116 CSCC1=CC=C(C=C1)CSC S365734 [0,2,0,0,0,0|0,0,2]=4 326 B12R1.116 OCCC1=CC=C(C=C1)CCO CDS000269 [0,2,0,0,0,0|0,0,2]=4 327 B12R1.116 OCCC1=CC=C(C=C1)N=C=S PH000382 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.288 CCOC1=CC=C(C(=C1)O)C=O CDS011578 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [0,2,0,0,0,0|1,0,1]=4 332 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl TMT00282 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F CDS022247 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CDS016409 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,1,1,0,0|1,0,0]=3 337 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,1,0,1,0,0|1,0,1]=4 339 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,1,0,1,0,0|1,0,1]=4 340 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.44 ClCC1=CN=C2NC=CC2=C1 ADE000894 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,1,0,0|1,0,0]=3 343 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,1,0,1,0,0|1,0,0]=3 344 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,1,0,1,0,0|1,0,0]=3 345 B12R2.44 NCC1=CC=C2NN=CC2=C1 CDS010163 [0,1,0,1,0,0|2,0,0]=4 346 B12R2.44 NNC1=CC2=C(C=C1)CCC2 CBR00796 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [0,1,0,1,0,0|1,0,0]=3 348 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,1,0,1,0,0|1,0,0]=3 349 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,1,0,1,0,0|1,0,1]=4 350 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,1,0,1,0,0|1,0,0]=3 351 B12R2.44 OCC1=CC=C2C=CNC2=N1 ADE001337 [0,1,0,1,0,0|2,0,0]=4 352 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [0,1,0,1,0,0|2,0,0]=4 353 B12R2.44 OCC1=CC=C2NC=NC2=C1 CDS015837 [0,1,0,1,0,0|2,0,0]=4 354 B12R2.44 OCC1=CN2C=CN=C2C=C1 CDS018509 [0,1,0,1,0,0|2,0,0]=4 355 B12R2.44 OCC1=CN=C2C=CNC2=C1 ADE000963 [0,1,0,1,0,0|2,0,0]=4 356 B12R2.44 OCC1=CN=C2NC=CC2=C1 ADE000893 [0,1,0,1,0,0|2,0,0]=4 357 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,0,0,0,1,1|1,0,1]=4 358 B10R1.172 CCC1=NC(=CC=N1)C=O CBR02044 [0,0,0,0,1,1|2,0,0]=4