0 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,0,0|3,0,0]=3 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=COCCC1 CDS022220 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 O=C(O)C1=COCCO1 T325333 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,0,0,0,0,0|1,0,1]=2 19 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 C1(C=CCC=C1)CO T175528 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,0,0|0,0,1]=2 42 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,0|1,0,1]=3 57 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,1,0,0,0,0|1,1,0]=3 69 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|1,1,0]=3 70 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|1,0,1]=3 77 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|2,1,0]=4 84 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,0,0|0,0,0]=1 98 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.61 OB(O)C1=C(C=NC=C1)F CDS007991 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,0,0|1,2,0]=4 106 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,0,0|2,1,0]=4 110 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.113 FC1=CC(=CC=N1)C(F)F MNO000175 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,1,0,0,0,0|0,0,0]=1 127 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,1,0,0,0,0|0,0,0]=1 129 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.113 OB(O)C1=CC(=NC=C1)Br BCH00001 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.113 OB(O)C1=CC=NC(=C1)F CDS003936 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.363 CC1(C=CCC=C1)C(=O)N T270628 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,0,1,0,0,0|1,0,2]=4 143 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,1,0|1,0,1]=3 145 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,1,0|3,0,0]=4 146 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,0,1,0|3,0,0]=4 147 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,1,0|2,0,0]=3 148 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,0,1,0|2,0,0]=3 149 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,0,1,0|3,0,0]=4 150 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,0,1,0|2,1,0]=4 151 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,0,1,0|2,1,0]=4 152 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,0,1,0|2,1,0]=4 153 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [0,0,0,0,1,0|2,1,0]=4 154 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,1,0|1,0,0]=2 155 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,1,0|1,0,0]=2 156 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,1,0|1,0,0]=2 157 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,1,0|1,0,0]=2 158 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [0,0,0,0,1,0|2,0,0]=3 159 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,0,0,0,1,0|2,0,0]=3 160 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,0,0,0,1,0|1,0,0]=2 161 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,0,0,0,1,0|1,0,0]=2 162 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,0,0,0,1,0|2,0,0]=3 163 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,1,0|2,0,0]=3 164 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,0,0,0,1,0|2,0,0]=3 165 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,0,0,0,1,0|1,0,2]=4 166 B8R1.7 OB(O)C1=CC=NN1 CDS014043 [0,0,0,0,1,0|2,0,1]=4 167 B8R1.7 OB(O)C1=CON=C1 CDS007044 [0,0,0,0,1,0|2,0,1]=4 168 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,1|2,0,1]=4 179 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,1|2,0,1]=4 180 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,1|2,0,1]=4 181 B7R1.3 BrC1=CN=NC=C1 CDS022809 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|0,0,1]=3 183 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|0,0,1]=3 184 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|2,0,0]=4 186 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|2,0,0]=4 187 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|0,0,1]=3 188 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,0,0]=3 189 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|0,0,0]=2 190 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,1,0]=4 191 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,1]=4 192 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,1,0]=4 193 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|1,0,0]=3 194 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.2 C#CC1=CC(=NC=C1)Cl RNI00128 [1,1,0,0,0,0|1,0,1]=4 201 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|0,0,1]=3 204 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [1,1,0,0,0,0|1,0,1]=4 206 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|1,0,1]=4 207 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.2 N#CC1=CC=NC(=C1)Br CDS003642 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|0,0,0]=2 213 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|0,0,1]=3 214 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,1,0,0,0,0|1,0,1]=4 218 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,1,0,0,0,0|0,1,1]=4 219 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,1,0,0,0,0|0,1,1]=4 220 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,1,0,0,0,0|1,0,1]=4 221 B9R1.15 C#CC1=CC=NC=C1Cl CDS021227 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|0,0,0]=2 225 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|0,0,1]=3 228 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,1,0,0,0,0|0,0,0]=2 231 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|0,0,1]=3 233 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|0,0,1]=3 234 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|0,0,1]=3 235 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,1,0,0,1,0|2,0,0]=4 236 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,1,0,0,1,0|2,0,0]=4 237 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,1,0|2,0,0]=4 238 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,1,0|2,0,0]=4 239 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,1,0,0,1,0|1,0,1]=4 240 B9R1.11 N/C(=N\O)/C1=CSC=C1 CDS017788 [0,1,0,0,1,0|2,0,0]=4 241 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,1,0|2,0,0]=4 242 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,0,1,0|2,0,0]=4 243 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,1,0|2,0,0]=4 244 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,1,0,0,1,0|1,0,0]=3 245 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,1,0|1,0,1]=4 246 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,0,1,0|2,0,0]=4 247 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,1,0,0,1,0|1,0,0]=3 249 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,1,0,0,1,0|1,0,0]=3 250 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,1,0|2,0,0]=4 251 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,1,0|1,0,0]=3 252 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,0,1,0|2,0,0]=4 253 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,1,0,0,1,0|1,0,0]=3 254 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,1,0,0,1,0|1,0,0]=3 255 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,1,0|2,0,0]=4 256 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,1,0|1,0,0]=3 257 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,1,0,0,1,0|1,0,0]=3 258 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,0,1,0|1,0,1]=4 259 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,1,0,0,1,0|1,0,0]=3 260 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,0,1,0|2,0,0]=4 261 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,0,1,0|2,0,0]=4 262 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,0,1,0|2,0,0]=4 263 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,1,0,0,1,0|1,0,1]=4 264 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,1,0,0,1,0|2,0,0]=4 265 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,1,0|1,0,1]=4 266 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,1,0,0,1,0|0,0,1]=3 267 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,1,0,0,1,0|1,0,0]=3 268 B9R1.41 CC1=C(C=NO1)C(=O)Cl SYX00343 [0,1,0,0,1,0|2,0,0]=4 269 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,1,0,0,1,0|2,0,0]=4 270 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,1,0|1,0,0]=3 271 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,1,0,0,1,0|1,0,0]=3 272 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,1,0,0,1,0|1,0,0]=3 273 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,1,0,0,1,0|1,0,0]=3 274 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,1,0|2,0,0]=4 275 B9R1.41 NC(=O)C1=C(C=NN1)N CBR00702 [0,1,0,0,1,0|2,0,0]=4 276 B9R1.41 NC(=O)C1=C(NN=C1)N JRD0197 [0,1,0,0,1,0|2,0,0]=4 277 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,1,0,0,1,0|2,0,0]=4 278 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,1,0,0,1,0|1,0,0]=3 279 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [0,1,0,0,1,0|1,0,0]=3 280 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,1,0|2,0,0]=4 281 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,1,0|2,0,0]=4 282 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,1,0|1,0,0]=3 283 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,1,0|1,0,0]=3 284 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,1,0,0,1,0|1,0,0]=3 285 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,1,0,0,1,0|1,0,1]=4 286 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,0,1|1,1,0]=4 300 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,1|1,0,0]=3 308 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,1|1,0,1]=4 313 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,1|0,0,0]=2 315 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,1|1,0,0]=3 325 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,0,0,0,1|1,0,0]=3 328 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,1|2,0,0]=4 329 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,1|1,0,1]=4 349 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 CDS007189 [0,1,0,0,0,1|1,0,1]=4 351 B11R1.852 COC(=O)N1C=CC=CC=C1 T168505 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,2,0,0,0,0|1,0,1]=4 353 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,2,0,0,0,0|2,0,0]=4 360 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,2,0,0,0,0|2,0,0]=4 371 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,2,0,0,0,0|2,0,0]=4 380 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,2,0,0,0,0|0,0,1]=3 391 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,2,0,0,0,0|1,0,0]=3 395 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,2,0,0,0,0|0,0,1]=3 411 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,2,0,0,0,0|0,0,1]=3 428 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.12 C(=O)C(C=O)C1=CC=NC=C1 L307416 [0,2,0,0,0,0|0,0,2]=4 447 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.12 O/C=C(\C=O)/C1=CC=NC=N1 TMT00404 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,2,0,0,0,0|1,1,0]=4 454 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,2,0,0,0,0|1,0,0]=3 465 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,2,0,0,0,0|0,0,0]=2 470 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,2,0,0,0,0|1,0,0]=3 480 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,2,0,0,0,0|0,0,0]=2 490 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,2,0,0,0,0|0,0,0]=2 492 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.87 CC1=CN=CC=C1S(=O)(=O)O PH015097 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.155 CC1=NC=CC(=C1)S(=O)(=O)O PH015380 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.53 COC1=CN=CC=C1B(O)O CDS022391 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.156 CC1=CN=CC(=C1B(O)O)F CDS022459 [0,2,0,0,0,0|1,0,1]=4 520 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.156 O=C(O)C1=C(C=NC=C1F)F CDS002726 [0,2,0,0,0,0|0,0,0]=2 525 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,2,0,0,0,0|1,0,1]=4 526 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.159 CC(=O)C1=NC=NC(=C1Cl)Cl PH016127 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,2,0,0,0,0|0,0,0]=2 541 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,2,0,0,0,0|0,0,0]=2 542 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,2,0,0,0,0|0,0,0]=2 543 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.159 O=C(O)C1=NC=NC(=C1Cl)Cl CDS021401 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.159 OB(O)C1=CC=NC(=C1Cl)Cl CDS006785 [0,2,0,0,0,0|1,0,1]=4 546 B11R1.159 OB(O)C1=CC=NC(=C1Cl)F CDS022908 [0,2,0,0,0,0|1,0,1]=4 547 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.167 CC1=CN=C(N=C1C(=O)O)Cl CDS021233 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,2,0,0,0,0|1,0,0]=3 562 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,2,0,0,0,0|1,0,1]=4 565 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,2,0,0,0,0|0,0,0]=2 566 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,2,0,0,0,0|0,0,0]=2 567 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,2,0,0,0,0|0,0,0]=2 574 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.167 OB(O)C1=CC(=NC=C1Cl)Cl BCH00004 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.167 OB(O)C1=CC(=NC=C1F)Cl CDS022138 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.74 CC1=CC(=CC(=N1)C)[N+](=O)[O-] PH009740 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [0,2,0,0,0,0|0,0,0]=2 585 B11R1.74 O=C(O)C1=CC(=NC(=N1)S)O S409146 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.74 O=C([O-])C1=CC(=NC(=N1)O)O S603155 [0,2,0,0,0,0|1,0,1]=4 587 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O R288055 [0,2,0,0,0,0|1,0,1]=4 588 B11R1.74 OB(O)C1=CC(=NC(=C1)F)F CDS010298 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.266 COC1=CC(=CC=N1)B(O)O CDS007799 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [0,2,0,0,0,0|0,0,0]=2 593 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,2,0,0,0,0|1,0,0]=3 596 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,1,1,0,0|0,0,2]=4 600 B9R1.13 O=C(O)CN1C=CN=C1 CDS000415 [0,0,1,1,0,0|1,0,1]=4 601 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|2,0,0]=4 602 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,0,1|2,0,0]=4 603 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,0,1|1,1,0]=4 604 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,0,1|1,1,0]=4 605 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,1,0,1|1,1,0]=4 606 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,1,0,0|2,0,0]=4 607 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [0,1,0,1,0,0|2,0,0]=4 608 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,1,0,0|2,0,0]=4 609 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [0,1,0,1,0,0|2,0,0]=4 610 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,1,0,0|2,0,0]=4 611 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [0,1,0,1,0,0|2,0,0]=4 612 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,1,0,0|2,0,0]=4 613 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|2,0,0]=4 614 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,1,0,0|1,0,0]=3 615 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,1,0|1,0,0]=3 616 B7R1.1 O=CC1=CNN=N1 CDS009687 [1,0,0,0,1,0|2,0,0]=4 617 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,1,0|1,0,1]=4 618 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,1,0|2,0,0]=4 619 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,1,0|1,0,1]=4 620 B7R1.1 OCC1=CN=CS1 CDS004659 [1,0,0,0,1,0|1,0,1]=4 621 B7R1.1 OCC1=CNN=C1 CDS015812 [1,0,0,0,1,0|1,0,1]=4 622 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,2|1,0,1]=4 623 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [0,0,0,0,0,2|2,0,0]=4 624 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [0,0,0,0,0,2|2,0,0]=4 625 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,2|2,0,0]=4 626 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,2|1,0,0]=3 627 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,0,0,0,0,2|2,0,0]=4 628 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,2|2,0,0]=4 629 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,2|2,0,0]=4 630 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,2|1,0,0]=3 631 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,2|2,0,0]=4 632 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,0,0,0,2|0,0,0]=2 633 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,2|0,0,0]=2 634 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,2|2,0,0]=4 635 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,2|2,0,0]=4 636 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,2|1,0,1]=4 637 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,2|1,0,1]=4 638 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,2|1,0,1]=4 639 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,2|1,0,1]=4 640 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,2|1,0,1]=4 641 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,2|2,0,0]=4