0 B8R1.1 C(=O)C1=CN=C(S1)Br CDS004410 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.1 C(=O)C1=CSC(=N1)Cl SYX00410 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,0,0,0,0,0|2,1,1]=4 6 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 CC1=NN=C(O1)CO CBR01937 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 CN1C=CC(=C1)C#N CBR01777 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,0,0,0,0,0|2,1,1]=4 14 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,0,0,0,0,0|2,1,1]=4 15 B8R1.1 O=CC1=CN=C(S1)Cl CDS016382 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.1 O=CC1=CN=C(S1)Cl SYX00395 [0,0,0,0,0,0|2,1,0]=3 17 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,0,0,0,0,0|1,1,2]=4 18 B7R1.1 C#CC1=CC=CS1 CDS010938 [1,0,0,0,0,0|1,1,1]=4 19 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,0,0|2,1,0]=4 20 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [1,0,0,0,0,0|2,1,0]=4 22 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 O=CC1=CNN=N1 CDS009687 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,0,0|1,0,2]=4 27 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,0,0|0,2,1]=4 28 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.2 CC1=CSC(=N1)Br CDS007616 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 CC1=CSC(=N1)N S366536 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.2 CC1=NN=C(O1)N PH010741 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1OC(=O)CS1 PH007278 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.2 CN1C=CC(=N1)Br SYX00074 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.2 CN1C=CC(=N1)N CDS013782 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.7 CC1=CSC(=N1)NC=O PH009361 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,1,0,0,0,0|1,0,1]=3 40 B9R1.21 C(=O)C1=CC=C(S1)C#N CDS012107 [0,1,0,0,0,0|0,1,1]=3 41 B9R1.21 CCC1=NC(=CN1)C=O PH017761 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [0,1,0,0,0,0|0,1,0]=2 43 B9R1.21 Cl[Hg]C1=CC=C(O1)[Hg]Cl S813184 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.21 N#CC1=CC(=CN1)C=O CBR01512 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.21 N#CC1=CC=C(S1)CN CDS018039 [0,1,0,0,0,0|1,1,1]=4 46 B9R1.21 N#CC1=CC=C(S1)CN CDS021014 [0,1,0,0,0,0|1,1,1]=4 47 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [0,1,0,0,0,0|1,0,0]=2 48 B9R1.21 OCC1=CC=C(N1)CO L165034 [0,1,0,0,0,0|1,0,2]=4 49 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.22 C/C=C/1\N=C(OC1=O)C S739499 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.22 CC1=NC(=C(O1)CO)C CBR01508 [0,1,0,0,0,0|1,0,2]=4 52 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.23 C(=O)C1=NC(=C(N1)C)C CDS016039 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.23 C(=O)C1=NN(C(=C1)C)C CDS014622 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.23 CC1=C(OC(=N1)CN)C CDS019139 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.23 CC1=C(SC(=N1)C=O)Br CDS024428 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.23 CCC1=NC(=C(O1)C)C CDS000714 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.23 Cl[Hg]C1=CC(=C(O1)Br)Br S820008 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,0,0|0,1,0]=2 60 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.35 CC1=CC=C(O1)B(O)O CDS019945 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,0,0|0,0,0]=1 66 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,1,0,0,0,0|1,1,1]=4 68 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.35 CC1=NC(=CN1)C(=S)N CDS014746 [0,1,0,0,0,0|2,1,0]=4 71 B9R1.35 CC1=NC(=NO1)C(=O)O CDS019560 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,1,0,0,0,0|1,1,0]=3 73 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,0,0|1,1,0]=3 75 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,1,0,0,0,0|2,1,0]=4 79 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,1,0,0,0,0|2,1,0]=4 82 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.35 O=[N+]([O-])C1=CC=C(S1)I PH004031 [0,1,0,0,0,0|2,1,0]=4 89 B7R0.3 C=C/C=C/C(C)C=C S418986 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.3 C=CC(O)C/C=C\C T241768 [0,0,1,0,0,0|1,0,2]=4 91 B7R0.3 C=CCOC(=O)C=C S459836 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.3 C=CCOC(C)C=C T284599 [0,0,1,0,0,0|1,0,2]=4 93 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,0,1,0,0,0|1,0,1]=3 94 B9R2.39 O=C1CC2C=CC1C2 T227005 [0,0,0,1,0,0|1,0,2]=4 95 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,0,0,0,0,1|2,0,1]=4 96 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,0,0,0,0,1|2,0,1]=4 97 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,0,0,0,0,1|2,0,0]=3 98 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,0,0,0,0,1|2,0,0]=3 99 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,0,0,0,0,1|1,1,1]=4 100 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,0,0,0,0,1|3,0,0]=4 102 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,0,0,0,0,1|1,0,0]=2 103 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,0,0,0,0,1|2,0,1]=4 104 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,0,0,0,0,1|2,0,0]=3 105 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,0,0,0,0,1|2,0,0]=3 106 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,0,0,0,0,1|2,0,0]=3 107 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,0,0,0,0,1|2,0,1]=4 108 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,0,0,0,0,1|2,0,0]=3 109 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,0,0,0,0,1|2,0,0]=3 110 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,0,0,0,0,1|1,0,2]=4 111 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,0,0,0,0,1|1,1,1]=4 112 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,0,0,0,0,1|2,0,1]=4 113 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,0,0,0,0,1|2,0,1]=4 114 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,0,0,0,0,1|2,0,1]=4 115 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,0,0,0,0,1|1,0,0]=2 116 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,0,0,0,0,1|2,0,1]=4 117 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,0,0,0,0,1|1,0,2]=4 118 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,0,0,0,0,1|2,0,1]=4 119 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,0,0,0,0,1|2,0,0]=3 121 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,0,0,0,0,1|2,0,0]=3 122 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,0,1,0,0,0|1,0,1]=4 123 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,0,1,0,0,0|2,0,0]=4 124 B6R1.2 BrC1=CC=CO1 CDS020809 [2,0,0,0,0,0|1,0,0]=3 125 B6R1.2 CC1=CC=NN1 CDS002430 [2,0,0,0,0,0|2,0,0]=4 126 B6R1.2 CC1=COC=C1 CDS019631 [2,0,0,0,0,0|2,0,0]=4 127 B6R1.2 CC1=NC=CS1 CDS000301 [2,0,0,0,0,0|1,1,0]=4 128 B6R1.2 O=C1CC=CC1 CDS003851 [2,0,0,0,0,0|1,0,1]=4 129 B6R1.2 O=C1NC=CN1 CBR02030 [2,0,0,0,0,0|2,0,0]=4 130 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,1,1,0,0,0|1,0,0]=3 131 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [1,1,0,0,0,0|2,0,0]=4 133 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,1,0,0,0,0|1,0,0]=3 134 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,1,0,0,0,0|1,0,0]=3 135 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,1,0,0,0,0|1,1,0]=4 136 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [1,1,0,0,0,0|2,0,0]=4 137 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,1,0,0,0,0|1,1,0]=4 138 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,1,0,0,0,0|0,1,0]=3 139 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [1,1,0,0,0,0|0,2,0]=4 140 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,1,0,0,0,0|0,0,0]=2 141 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,1,0,0,0,0|1,1,0]=4 143 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,1,0,0,0,0|1,1,0]=4 144 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,1,0,0,0,0|2,0,0]=4 145 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [1,1,0,0,0,0|0,0,2]=4 146 B8R1.8 N#CCC1=CC=CO1 JRD0290 [1,1,0,0,0,0|1,0,1]=4 147 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [1,1,0,0,0,0|1,0,1]=4 148 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,1,0,0,0,0|1,0,1]=4 149 B8R1.8 O=CNC1=NC=CS1 PH004567 [1,1,0,0,0,0|1,1,0]=4 150 B8R1.8 ON=CC1=CC=CS1 S551848 [1,1,0,0,0,0|0,1,1]=4 151 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,1,0,0,0,0|1,0,0]=3 152 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,1,0,0,0,0|0,0,0]=2 153 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,1,0,0,0,0|0,0,0]=2 154 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.18 BrC1=CC(=C(O1)Br)Br PH002979 [1,1,0,0,0,0|2,0,0]=4 156 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [1,1,0,0,0,0|1,0,0]=3 157 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [1,1,0,0,0,0|0,0,1]=3 158 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [1,1,0,0,0,0|0,0,2]=4 159 B8R1.18 CC1=CC(=O)NC1=O PH010527 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.18 O=C1OC(=C(O1)Cl)Cl PH008661 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,1,0,0,0,1|1,0,0]=3 162 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,1,0,0,0,1|1,0,1]=4 164 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [0,1,0,0,0,1|2,0,0]=4 166 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,1,0,0,0,1|2,0,0]=4 167 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,1,0,0,0,1|1,0,0]=3 168 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [0,1,0,0,0,1|1,0,0]=3 169 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,1|1,0,0]=3 170 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,1|2,0,0]=4 171 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,0,1|2,0,0]=4 172 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,1|2,0,0]=4 173 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,0,1|2,0,0]=4 174 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,1,0,0,0,1|2,0,0]=4 175 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,1|1,0,0]=3 176 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,0,1|1,0,0]=3 177 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,1,0,0,0,1|2,0,0]=4 178 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,0,1|2,0,0]=4 179 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,0,1|2,0,0]=4 180 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,1|2,0,0]=4 181 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,1|2,0,0]=4 182 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,1|2,0,0]=4 183 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,1|2,0,0]=4 184 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,1|2,0,0]=4 185 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,0,1|2,0,0]=4 186 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,1|2,0,0]=4 187 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,0,1|2,0,0]=4 188 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,0,0,0,1|2,0,0]=4 189 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,0,0,0,1|2,0,0]=4 190 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,0,0,0,1|2,0,0]=4 191 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,1,0,0,0,1|1,0,0]=3 192 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,0,0,0,1|2,0,0]=4 193 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,0,0,0,1|2,0,0]=4 194 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [0,1,0,0,0,1|2,0,0]=4 195 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,1,0,0,0,1|2,0,0]=4 196 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [0,1,0,0,0,1|2,0,0]=4 197 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [0,1,0,0,0,1|2,0,0]=4 198 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,1,0,0,0,1|2,0,0]=4 199 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [0,1,0,0,0,1|2,0,0]=4 200 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,1,0,0,0,1|2,0,0]=4 201 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,1,0,0,0,1|2,0,0]=4 202 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,1,0,0,0,1|2,0,0]=4 203 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [0,1,0,0,0,1|1,0,0]=3 204 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [0,1,0,0,0,1|1,0,0]=3 205 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [0,1,0,0,0,1|2,0,0]=4 206 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,1,0,0,0,1|2,0,0]=4 207 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,1,0,0,0,1|1,0,0]=3 208 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [0,1,0,0,0,1|1,0,1]=4 209 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,1,0,0,0,1|2,0,0]=4 210 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,1,0,0,0,1|2,0,0]=4 211 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,1,0,0,0,1|2,0,0]=4 212 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [0,1,0,0,0,1|2,0,0]=4 213 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [0,1,0,0,0,1|2,0,0]=4 214 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,1,0,0,0,1|2,0,0]=4 215 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,1,0,0,0,1|1,0,0]=3 216 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,1,0,0,0,1|1,0,0]=3 217 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,1,0,0,0,1|2,0,0]=4 218 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,1,0,0,0,1|2,0,0]=4 219 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [0,1,0,0,0,1|2,0,0]=4 220 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [0,1,0,0,0,1|2,0,0]=4 221 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [0,1,0,0,0,1|2,0,0]=4 222 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,1,0,0,0,1|2,0,0]=4 223 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [0,1,0,0,0,1|2,0,0]=4 224 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [0,1,0,0,0,1|2,0,0]=4 225 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,1|1,0,0]=3 228 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,0,1|1,1,0]=4 230 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,1,0,0,0,1|1,1,0]=4 231 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,1,0,0,0,1|1,0,0]=3 232 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,0,1|1,0,0]=3 255 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.172 CCC1=NC(=CC=N1)C=O CBR02044 [0,1,0,0,0,1|1,0,0]=3 257 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [0,1,0,0,0,1|1,0,0]=3 258 B10R1.172 N#CC1=NC=CC(=C1)C=O CDS015515 [0,1,0,0,0,1|1,0,1]=4 259 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [0,1,0,0,0,1|1,0,0]=3 260 B10R1.14 CC1=CC=C(S1)/C(=N\O)/C S755737 [0,2,0,0,0,0|0,1,1]=4 261 B10R1.14 CCC(=O)C1=CC=C(S1)Br CBR01166 [0,2,0,0,0,0|1,1,0]=4 262 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [0,2,0,0,0,0|0,1,0]=3 263 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.14 COC(=O)C1=CSC(=N1)C SYX00285 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.14 O=C(CBr)C1=CC=C(S1)Cl CDS003755 [0,2,0,0,0,0|1,1,0]=4 266 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [0,2,0,0,0,0|0,0,0]=2 267 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,2,0,0,0,0|1,0,0]=3 268 B10R1.54 CC1=CC=C(O1)CN(C)C S508993 [0,2,0,0,0,0|1,0,1]=4 269 B10R1.54 CC1=CN=C(S1)CC(=O)[O-] CDS024580 [0,2,0,0,0,0|1,1,0]=4 270 B10R1.96 COCC1=CC=C(O1)[Hg]Cl S812374 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.96 COCC1=NC(=CN1)C=O PH018579 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.131 CC1=C(OC(=C1)/C=N/N)C R787213 [0,2,0,0,0,0|1,0,0]=3 273 B10R1.131 CC1=C(OC(=C1)/C=N/O)C R787221 [0,2,0,0,0,0|0,0,1]=3 274 B10R1.31 C(=O)C1=CC=C(O1)N(C)C CDS002392 [0,2,0,0,0,0|0,0,0]=2 275 B10R1.31 C(=O)C1=CC=C(S1)N(C)C CDS011356 [0,2,0,0,0,0|0,1,0]=3 276 B10R1.31 C(=O)C1=CSC(=N1)C(C)C SYX00125 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.31 CC(=O)C1=CC(=CS1)CCl CBR01251 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.31 CC(C)C1=NC(=CO1)C=O CBR02086 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,2,0,0,0,0|0,0,0]=2 280 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,2,0,0,0,0|0,1,0]=3 281 B10R1.31 CCC1=NC(=CO1)C(=O)O CDS009034 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.31 CN(C)C1=NC=C(S1)C=O CDS008483 [0,2,0,0,0,0|1,1,0]=4 283 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,2,0,0,0,0|0,1,0]=3 284 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,2,0,0,0,0|0,1,0]=3 285 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [0,2,0,0,0,0|1,0,1]=4 286 B10R1.31 O=CC1=CC=C(N1)[N+](=O)[O-] PH003274 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [0,2,0,0,0,0|0,0,1]=3 288 B10R1.31 O=[N+]([O-])C1=CC=C(O1)CCl PH000508 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.31 O=[N+]([O-])C1=CC=C(O1)CI L308110 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.34 C(=O)C1=C(C(=C(N1)C)Br)Br S740381 [0,2,0,0,0,0|1,0,0]=3 291 B10R1.34 C(=O)C1=C(C(=C(N1)I)C)I S941034 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.34 CC1=CC(=C(N1C)C)C=O CBR01460 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,2,0,0,0,0|1,0,0]=3 294 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,2,0,0,0,0|0,0,0]=2 296 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.59 CC1=CC(=C(S1)N)C(=O)N OTV000759 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.59 CC1=NC(=C(O1)Br)C(=O)O CDS023266 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.59 CC1=NC(=C(O1)C(=O)O)C T324817 [0,2,0,0,0,0|1,0,0]=3 301 B10R1.59 CC1=NC(=C(S1)C)C(=O)O CDS007381 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.59 CN1C=C(C(=N1)C(=O)O)Cl L119547 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.59 CN1C=C(C(=N1)C(=O)O)I R432741 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,2,0,0,0,0|1,0,0]=3 305 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,2,0,0,0,0|0,0,0]=2 306 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Br PH010473 [0,2,0,0,0,0|1,1,0]=4 307 B10R1.55 CC1=CC=C(O1)[B-](F)(F)F CVT00090 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.55 CC1=CC=C(S1)S(=O)(=O)Cl CDS009500 [0,2,0,0,0,0|1,1,0]=4 309 B10R1.194 CC1=CC=C(N1C)C(=N)N PH017356 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,2,0,0,0,0|1,0,0]=3 311 B8R1.2 O=CC1=COCCO1 CDS007966 [0,0,1,1,0,0|1,0,1]=4 312 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,0,1,1,0,0|2,0,0]=4 313 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,0,1,1,0,0|2,0,0]=4 314 B8R1.5 NC1=CC=CC=C1O S378569 [0,0,1,1,0,0|1,0,1]=4 315 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,0,1,1,0,0|2,0,0]=4