0 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 CSC1=NC=CN=N1 SYX00362 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,0,0,0,0,0|0,0,1]=2 23 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,0|0,0,0]=1 24 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.13 CC1=CN=C(C=N1)C(=N)N CDS008457 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,0,0|2,1,0]=4 41 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [0,1,0,0,0,0|1,1,0]=3 42 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.13 O=[N+]([O-])C1=CC=C(N=C1)S PH009935 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,1,0,0,0,0|1,1,1]=4 56 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.15 N/C(=N/O)/C1=NC=CC=N1 BOG00014 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,0,0,0,0|1,0,2]=4 60 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 CDS013908 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 S370525 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|2,1,0]=4 69 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,1,0,0,0,0|1,1,0]=3 87 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.113 CN(C)C1=CN=CC(=N1)I SYX00371 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,1,0,0,0,0|0,0,0]=1 99 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.113 O=N(=O)C1=CN=CC(=C1)Br ANV00040 [0,1,0,0,0,0|3,0,0]=4 115 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|3,0,0]=4 116 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,1,0|1,0,1]=3 118 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,1,0|1,0,1]=3 119 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,0,0,1,0|2,0,1]=4 120 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,0,0,1,0|2,0,1]=4 121 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,0,0,0,1,0|2,0,1]=4 122 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,0,0,0,1,0|2,0,1]=4 123 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,0,1,0|2,0,0]=3 124 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,1,0|0,0,1]=2 125 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,0,1,0|1,0,0]=2 126 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,0,1,0|1,0,0]=2 127 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,0,1,0|0,1,1]=3 128 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,0,1,0|1,1,0]=3 129 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,0,1,0|1,1,0]=3 130 B8R1.7 NC(=S)C1=CNC=N1 CDS015089 [0,0,0,0,1,0|0,1,1]=3 131 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [0,0,0,0,1,0|1,1,0]=3 132 B8R1.7 NC(=S)C1=CSC=N1 PH015038 [0,0,0,0,1,0|1,1,0]=3 133 B8R1.7 NC(=S)C1=NOC=N1 CBR00421 [0,0,0,0,1,0|1,1,0]=3 134 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,1,0|2,0,0]=3 135 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,1,0|2,0,0]=3 136 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,1,0|2,0,0]=3 137 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,1,0|2,0,0]=3 138 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [0,0,0,0,1,0|2,0,1]=4 139 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,0,0,0,1,0|2,0,1]=4 140 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,0,0,0,1,0|2,0,0]=3 141 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,0,0,0,1,0|2,0,0]=3 142 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,0,0,0,1,0|3,0,0]=4 143 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,1,0|1,0,1]=3 144 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,0,0,0,1,0|2,0,0]=3 145 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,1|1,0,0]=2 148 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,1|1,0,0]=2 151 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,1|1,0,0]=2 154 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,1|2,0,0]=3 155 B7R1.3 BrC1=CN=CC=N1 CDS005022 [2,0,0,0,0,0|1,0,0]=3 156 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,0]=3 158 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,1]=4 160 B7R1.3 [O-]C1=CN=CC=N1 S451452 [2,0,0,0,0,0|0,0,1]=3 161 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|1,0,0]=3 163 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.1 N#CC1=NC=C(N=C1)Br CDS023192 [1,1,0,0,0,0|0,0,2]=4 166 B9R1.1 N#CC1=NC=C(N=C1)Cl CDS006416 [1,1,0,0,0,0|0,0,2]=4 167 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [1,1,0,0,0,0|0,0,1]=3 168 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|1,0,0]=3 169 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|1,0,1]=4 171 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|1,0,0]=3 174 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|1,0,1]=4 177 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|1,0,1]=4 178 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,1,0,0,0,0|1,0,0]=3 181 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,1,0,0,0,0|1,0,1]=4 186 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.15 COC1=NC=CN=C1I SYX00132 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|1,0,0]=3 192 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,1,0,0,1,0|2,0,0]=4 194 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,1,0|1,0,1]=4 195 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,1,0|2,0,0]=4 196 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,1,0,0,1,0|2,0,0]=4 197 B9R1.11 N/C(=N\O)/C1=CSC=C1 CDS017788 [0,1,0,0,1,0|1,0,1]=4 198 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,1,0|2,0,0]=4 199 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,0,1,0|2,0,0]=4 200 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,1,0,0,1,0|1,0,1]=4 201 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,1,0|2,0,0]=4 202 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,1,0,0,1,0|2,0,0]=4 203 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,1,0|2,0,0]=4 204 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,0,1,0|1,0,1]=4 205 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,0,1,0|2,0,0]=4 206 B9R1.35 CC1=NC(=CN1)C(=S)N CDS014746 [0,1,0,0,1,0|0,1,1]=4 207 B9R1.35 CC1=NC(=NO1)C(=O)O CDS019560 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,1,0,0,1,0|2,0,0]=4 210 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,1,0|1,0,0]=3 211 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,1,0,0,1,0|1,0,0]=3 212 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,1,0|2,0,0]=4 213 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,0,1,0|2,0,0]=4 214 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,1,0,0,1,0|2,0,0]=4 215 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,1,0,0,1,0|2,0,0]=4 216 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,1,0|2,0,0]=4 217 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,1,0|2,0,0]=4 218 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,1,0,0,1,0|2,0,0]=4 219 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,0,1,0|1,0,1]=4 220 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,1,0,0,1,0|2,0,0]=4 221 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,0,1,0|2,0,0]=4 222 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,0,1,0|2,0,0]=4 223 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,0,1,0|2,0,0]=4 224 B9R1.35 O=C(O)C1=NNC(=N1)Cl CBR01522 [0,1,0,0,1,0|2,0,0]=4 225 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,1,0,0,1,0|2,0,0]=4 226 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,1,0|1,0,1]=4 227 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,1,0,0,1,0|1,0,1]=4 228 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,1,0,0,1,0|2,0,0]=4 229 B9R1.41 CC1=C(C=NO1)C(=O)Cl SYX00343 [0,1,0,0,1,0|2,0,0]=4 230 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,1,0,0,1,0|2,0,0]=4 231 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,1,0|1,0,1]=4 232 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,1,0,0,1,0|1,0,1]=4 233 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,1,0,0,1,0|2,0,0]=4 234 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,1,0,0,1,0|2,0,0]=4 235 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,1,0|1,0,1]=4 236 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,1,0,0,1,0|1,0,1]=4 237 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,1,0,0,1,0|1,0,1]=4 238 B9R1.41 NC(=O)C1=C(C=NN1)N CBR00702 [0,1,0,0,1,0|1,0,0]=3 239 B9R1.41 NC(=O)C1=C(NN=C1)N JRD0197 [0,1,0,0,1,0|1,0,0]=3 240 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,1,0,0,1,0|1,0,0]=3 241 B9R1.41 NC(=S)C1=CNN=C1N BOG00272 [0,1,0,0,1,0|1,1,0]=4 242 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,1,0,0,1,0|2,0,0]=4 243 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [0,1,0,0,1,0|2,0,0]=4 244 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,1,0|2,0,0]=4 245 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,1,0|2,0,0]=4 246 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,1,0|1,0,1]=4 247 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,1,0,0,1,0|2,0,0]=4 249 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.19 NC1=CC=C(C=N1)S(=O)(=O)N CDS012618 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,2,0,0,0,0|1,0,0]=3 297 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,2,0,0,0,0|2,0,0]=4 302 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,2,0,0,0,0|1,0,0]=3 307 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,2,0,0,0,0|1,0,1]=4 308 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.22 NC1=CC=C(N=C1)/C(=N/O)/N BOG00016 [0,2,0,0,0,0|1,0,1]=4 312 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,2,0,0,0,0|2,0,0]=4 317 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.166 CC1=NC=C(C(=N1)N)C(=O)N PH016867 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,2,0,0,0,0|2,0,0]=4 324 B11R1.166 NC(=O)C1=CN=C(N=C1Cl)Cl MNO000176 [0,2,0,0,0,0|2,0,0]=4 325 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,2,0,0,0,0|1,0,0]=3 326 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,2,0,0,0,0|2,0,0]=4 328 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,2,0,0,0,0|1,0,0]=3 331 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,2,0,0,0,0|1,0,0]=3 349 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,2,0,0,0,0|1,0,0]=3 350 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.222 CC1=C(N=CC=C1)/C(=N/O)/N BOG00017 [0,2,0,0,0,0|1,0,1]=4 354 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,2,0,0,0,0|2,0,0]=4 360 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.155 NS(=O)(=O)C1=CC(=CN=C1)Br CDS022662 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,2,0,0,0,0|1,0,0]=3 367 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,2,0,0,0,0|2,0,0]=4 371 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,2,0,0,0,0|2,0,0]=4 380 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,2,0,0,0,0|1,0,0]=3 385 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,2,0,0,0,0|1,0,0]=3 386 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br CDS020025 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,2,0,0,0,0|1,0,0]=3 394 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,2,0,0,0,0|1,0,0]=3 396 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.266 COC1=NC(=CN=C1)C(=S)N PH015538 [0,2,0,0,0,0|0,1,0]=3 398 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [0,2,0,0,0,0|2,0,0]=4 402 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,1,0,1|2,0,0]=4 403 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,0,0,1,0,1|2,0,0]=4 404 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,0,1|1,0,0]=3 405 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,1,0,1,0,0|2,0,0]=4 406 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [0,1,0,1,0,0|2,0,0]=4 407 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [0,1,0,1,0,0|2,0,0]=4 408 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,1,0,1,0,0|2,0,0]=4 409 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,1,0,1,0,0|2,0,0]=4 410 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,1,0,1,0,0|2,0,0]=4 411 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,1,0,1,0,0|1,0,1]=4 412 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.1 NCC1=CN=CS1 CDS007657 [1,0,0,0,1,0|1,0,1]=4 414 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,1,0|1,0,1]=4 415 B7R1.1 NCC1=NC=CS1 CDS023086 [1,0,0,0,1,0|1,0,1]=4 416 B7R1.1 NCC1=NC=CS1 PHB00196 [1,0,0,0,1,0|1,0,1]=4 417 B7R1.1 NCC1=NOC=N1 CDS019857 [1,0,0,0,1,0|1,0,1]=4 418 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,1,0|1,0,0]=3 419 B7R1.1 O=CC1=CNN=N1 CDS009687 [1,0,0,0,1,0|1,0,1]=4 420 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,1,0|1,0,0]=3 421 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,1,0|1,0,0]=3 422 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,2|2,0,0]=4 423 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,0,0,0,0,2|2,0,0]=4 424 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,2|2,0,0]=4 425 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,2|2,0,0]=4 426 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,2|1,0,0]=3 427 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,2|2,0,0]=4 428 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,2|1,0,0]=3 429 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,2|2,0,0]=4 430 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,2|2,0,0]=4