0 B7R0.4 COCCCC(O)=O AC100091 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.4 COCCC(O)=O AC100057 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.4 CSCCC(O)=O HY-101401 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.4 OC(=O)CCC=C AC511045 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.6 C/C=C/C=C/CO AC220181 [1,0,0,0,0,0|0,0,1]=2 5 B8R0.28 CC(=O)CCCC(O)=O AC180079 [0,1,0,0,0,0|0,0,3]=4 6 B8R0.28 CN(C)C/C=C/C(O)=O AC181694 [0,1,0,0,0,0|1,0,1]=3 7 B8R0.28 CN(C)C/C=C/C(O)=O AC511826 [0,1,0,0,0,0|1,0,1]=3 8 B8R1.1 BrC1=CC=C(O1)C#N AC290054 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.1 BrC1=CC=C(O1)C=O AC500242 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.1 C1=C(C=O)OC(=C1)Br LN00131779 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.1 C1=C(C=O)SC(=C1)Br LN00009990 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.1 CC1=CC=C(S1)C=O AC511283 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.1 ClC1=CC=C(S1)C=O AC180483 [0,0,0,1,0,0|2,1,0]=4 14 B8R1.4 BrC1=CC(=O)NC=C1 AC180927 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 BrC1=CC=CC(Br)=N1 AC510357 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 BrC1=CC=CC(I)=C1 AC500036 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 C1=CC(=CC(=C1)N)I LN00124661 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 C1=CC(=NC(=C1)F)Br LN00125757 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 C1=CC(=NC(=C1)N)Cl LN00008045 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 C1=CC(=NC(=C1)N)I LN00128490 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 CC1=CC(=CN=C1)Br LN00008870 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 CC1=CC(=O)NC=N1 AC170050 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 CC1=CC(=O)NN=C1 AC050579 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 CC1=CC(Br)=NC=C1 AC510792 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 CC1=CC(F)=NC=C1 AC511705 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 CC1=CC(N)=NC=C1 AC190055 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 CC1=CC=CC(F)=N1 AC511694 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 CC1=CC=CC(N)=N1 AC500239 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 CC1=CC=NC(Cl)=N1 AC180532 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 CC1=CN=CC(Br)=C1 AC181288 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 CC1=CN=CC(Br)=N1 AC511942 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 CC1=CN=CC(Cl)=N1 AC030143 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 CC1=CN=CC(N)=C1 AC181783 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 CC1=CN=CC(N)=N1 AC511922 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 CC1=CN=CC(O)=N1 AC182347 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.4 CC1=NC(Br)=CC=C1 AC180435 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.4 CC1=NC(Cl)=CC=C1 AC180145 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 CC1=NC=CC(Br)=C1 AC500262 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 CC1=NC=CC(Cl)=C1 AC500323 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 CC1=NC=CC(F)=C1 AC511870 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.4 CC1=NC=CC(N)=C1 AC180846 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 C[N+]1=CC(Br)=CC=C1 AC160389 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 ClC1=CC(I)=CC=C1 AC510893 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 FC1=CC(I)=CC=C1 AC190228 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 FC1=NC(Br)=CC=C1 AC181591 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 IC1=CC(=O)NC=C1 AC190024 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 NC1=CC(Br)=CC=C1 AC130115 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.4 NC1=CC(I)=CC=C1 AC510894 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 NC1=CC(O)=CN=C1 AC182434 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 NC1=CC=CC(Br)=N1 AC180750 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.4 NC1=CC=CC(F)=N1 AC181805 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.4 NC1=NC(=O)C=CN1 AC180543 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 NC1=NC(Cl)=CC=C1 AC180936 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 NC1=NC(O)=CC=C1 AC180423 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.4 NC1=NC=CC(O)=C1 AC181799 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 O=C1NC(=S)NC=C1 HY-B0503 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 OC1=CC(I)=CC=C1 AC510895 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.4 OC1=CC(O)=CN=C1 AC181325 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.4 OC1=CC=CC(Br)=N1 AC180929 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.4 OC1=CC=CC(O)=C1 HY-B0907 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.4 OC1=CC=NC(Cl)=C1 AC130253 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 OC1=CN=CC(Br)=C1 AC510948 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 OC1=CN=CC(F)=C1 AC181586 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 OC1=NC(Cl)=CN=C1 AC180873 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.7 C1=C(C(=O)O)SN=C1 LN01368400 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.7 C1=COC(=C1)B(O)O LN00004521 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.7 C1=COC(=N1)C(=O)N LN02009510 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.7 C1=CSC(=C1)B(O)O LN00117282 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.7 CC(=O)C1=NC=CN1 AC210047 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.7 CC(=O)C1=NC=CS1 AC510705 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.7 ClC(=O)C1=CC=CN1 AC180091 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.7 NC(=O)C1=COC=N1 AC182643 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.7 OB(O)C1=CC=CO1 AC130268 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.7 OB(O)C1=CC=CS1 AC010326 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.7 OC(=O)C1=CC=CO1 AC510992 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.7 OC(=O)C1=CC=NO1 AC050948 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.7 OC(=O)C1=CCCC1 AC120012 [0,0,0,1,0,0|0,0,2]=3 80 B8R1.7 OC(=O)C1=CN=CO1 AC500181 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.7 OC(=O)C1=CN=CS1 AC181678 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.7 OC(=O)C1=CNC=C1 AC181119 [0,0,0,1,0,0|1,0,1]=3 83 B8R1.7 OC(=O)C1=CNC=N1 AC511460 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.7 OC(=O)C1=CNN=C1 AC180266 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.7 OC(=O)C1=COC=N1 AC510698 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.7 OC(=O)C1=CSC=C1 AC310080 [0,0,0,1,0,0|1,0,1]=3 87 B8R1.7 OC(=O)C1=CSC=N1 AC360006 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.7 OC(=O)C1=NC=CN1 AC180986 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.7 OC(=O)C1=NC=CS1 AC510654 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.7 OC(=O)C1=NNC=C1 AC180630 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.7 OC(=O)C1=NON=C1 AC190011 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.7 OC(=O)C1CC=CC1 AC180693 [0,0,0,1,0,0|0,0,2]=3 93 B8R1.7 [O-]C(=O)C1=CC=CS1 AC030126 [0,0,0,1,0,0|1,0,1]=3 94 B8R1.22 O=C1CCCCC=C1 AC510631 [0,0,0,1,0,0|1,0,2]=4 95 B5R0.1 CNCC(O)=O AC500168 [2,0,0,0,0,0|1,0,1]=4 96 B9R0.53 CC(=CC(=O)C=C(C)C)C LN00174837 [0,2,0,0,0,0|2,0,0]=4 97 B9R0.53 CC(C)=CC(=O)C=C(C)C AC512074 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.5 CCO/C=C/C(=O)OCC AC180239 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.24 COC(=O)/C=C/C(=O)OC HY-17363 [0,2,0,0,0,0|1,0,0]=3 100 B9R0.55 OC(=O)/C=C\C=C/C(O)=O AC070081 [0,2,0,0,0,0|0,0,1]=3 101 B7R1.2 BrC1=CC=C(Br)O1 AC060039 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.2 CN1C=CC(O)=N1 AC511151 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.2 O=C1NC(=O)C=C1 AC500013 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 BrC1=NC=CC=C1 AC130148 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 IC1=CC=CC=C1 AC130763 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 IC1=CC=CC=N1 AC190289 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 O=C1NC=CC=N1 AC180285 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 O=C1NN=CC=C1 AC180688 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 OC1=CC=NC=C1 AC510896 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 OC1=NC=CC=C1 AC500203 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.1 C1=CC=C([CH-]1)CO LN02135120 [1,0,0,1,0,0|0,0,2]=4 112 B7R1.1 C1=CNC(=C1)C=O LN00008368 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.1 CNC1=NC=CO1 LN00002575 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 COC1=CC=CS1 AC130135 [1,0,0,1,0,0|1,1,0]=4 115 B7R1.1 O=CC1=CC=CN1 AC180090 [1,0,0,1,0,0|1,0,0]=3 116 B7R1.1 O=CC1=CC=CS1 AC511013 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.1 O=CC1=CN=CO1 AC051098 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.1 O=CC1=CN=CS1 AC181432 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.1 O=CC1=CNC=C1 AC280042 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.1 O=CC1=CNC=N1 AC180818 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 O=CC1=CSC=C1 AC180098 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.1 O=CC1=CSC=N1 AC511667 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 O=CC1=NC=CS1 AC180755 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 O=CC1=NNC=C1 AC200098 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.4 CC1=C(Br)SC=C1 AC180547 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.13 CC(=O)CC1=CC=CS1 LN00166067 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.13 OC(=O)CC1=CC=CS1 AC130136 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.13 OC(=O)CC1=CSC=C1 AC130133 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.13 OC(=O)CC1=NC=CS1 AC181403 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.13 OC(=O)CC1=NNC=C1 AC050212 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.13 OC(=O)CC1=NNC=C1 AC050253 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.13 OC(=O)CN1C=CC=N1 AC180911 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.34 C1=C(C=C(C=C1I)O)Br LN01266383 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.34 C1=C(C=C(C=C1I)O)Cl LN01361432 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.34 CC1=CC(Br)=CC(C)=N1 AC511718 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.34 CC1=CC(Br)=CC(F)=C1 AC181330 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.34 CC1=CC(Br)=CC(N)=C1 AC511788 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.34 CC1=CC(Br)=CC(O)=C1 AC182382 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.34 CC1=CC(Br)=NC(C)=C1 AC180648 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.34 CC1=CC(C)=NC(C)=C1 AC500170 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.34 CC1=CC(Cl)=CC(C)=N1 AC181289 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 AC182319 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.34 CC1=CC(Cl)=NC(C)=C1 AC182266 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.34 CC1=CC(N)=CC(C)=C1 AC130026 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.34 CC1=CC(N)=CC(C)=N1 AC130149 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.34 CC1=CC(N)=CC(F)=C1 AC180634 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.34 CC1=CC(N)=CC(O)=C1 AC512117 [0,1,0,1,0,0|1,0,0]=3 148 B9R1.34 CC1=CC(N)=NC(C)=C1 AC130158 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.34 CC1=CC(O)=CC(O)=N1 AC181327 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 AC190271 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.34 OC1=CC(F)=CC(Br)=C1 AC182184 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.34 OC1=CC(F)=CC(F)=C1 AC130118 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.41 C1=NSC(=C1Cl)C(=O)O LN01263820 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.41 CC(=O)C1=CNC=C1C AC330027 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.41 CC1=C(C(=O)O)NC=C1 LN01237182 [0,1,0,1,0,0|0,0,0]=2 156 B9R1.41 CC1=C(OC=N1)C(O)=O AC511624 [0,1,0,1,0,0|1,0,0]=3 157 B9R1.41 CC1=C(SC=C1)B(O)O AC130314 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.41 CC1=C(SN=N1)C(O)=O AC030025 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.41 CC1=NNC=C1C(O)=O AC181056 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.41 CC1=NOC=C1C(O)=O AC181215 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.41 CN1C=CC=C1C(=O)O LN00149766 [0,1,0,1,0,0|0,0,0]=2 162 B9R1.41 CN1C=CN=C1C(C)=O AC511919 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.41 CN1C=CN=C1C(O)=O AC511055 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.41 CN1C=NC=C1C(=O)O LN00003167 [0,1,0,1,0,0|1,0,0]=3 165 B9R1.41 CN1C=NC=C1C(O)=O AC181144 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.41 CN1N=CC=C1C(O)=O AC181029 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.41 CN1N=NC=C1C(O)=O AC190036 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.41 NC(=O)C1=C(N)SC=C1 AC511070 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.41 NN1C=CC=C1C(N)=O AC182612 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.41 OC(=O)C1=C(Br)SC=C1 AC100025 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.41 OC(=O)C1=C(F)C=CS1 AC181662 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.41 OC(=O)C1=CSC=C1Br AC050399 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.41 OC(=O)C1=NNC=C1Br AC181234 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.1 OC1=CC=C(C=O)C=N1 AC511193 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.1 OC1=CN=C(C=O)C=C1 AC511243 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.2 BrC1=CC=CC(C=O)=C1 AC500300 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.2 BrC1=CC=CC(C=O)=N1 AC181501 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.2 BrCC1=CC(Br)=CC=C1 AC510964 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.2 BrCC1=CC=CC(I)=C1 AC510794 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.2 C1=CC(=NC(=C1)Br)C=O LN00008017 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.2 C1=CC(=NC(=C1)Br)CO LN00009570 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.2 C1=CNC(=O)C=C1C=O LN00003854 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.2 CC1=CC(C=O)=NC=C1 AC510820 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.2 CC1=CC(CN)=CC=C1 AC500121 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.2 CC1=CC=CC(=N1)C#N AC180851 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [0,1,0,1,0,0|1,0,0]=3 191 B9R1.2 CC1=CC=CC(C=O)=N1 AC510632 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [0,1,0,1,0,0|1,0,0]=3 194 B9R1.2 CC1=NC=CC(C=O)=C1 AC181964 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.2 CNC1=CC(Br)=CC=C1 AC020132 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.2 COC1=CC(=O)NC=C1 AC182483 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.2 COC1=CC(C)=NC=C1 AC511978 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.2 COC1=CC=CC(Br)=N1 AC180668 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [0,1,0,1,0,0|1,0,0]=3 200 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.2 COC1=CC=CC(N)=N1 AC181869 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [0,1,0,1,0,0|1,0,0]=3 203 B9R1.2 COC1=NC(Cl)=CC=C1 AC180147 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.2 COC1=NC(F)=CC=C1 AC070088 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.2 CSC1=NC(=O)C=CN1 LN00004447 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.2 CSC1=NC=CC(=O)N1 AC181143 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.2 ClC1=CC(C=O)=CC=C1 AC511323 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.2 ClC1=CC(CBr)=CC=C1 AC180010 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.2 FC1=CC(C=O)=CC=C1 AC511704 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.2 FC1=CC=CC(CBr)=C1 AC510779 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.2 FC1=CC=CC(CCl)=C1 AC180011 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.2 FC1=NC(C=O)=CC=C1 AC181585 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.2 IC1=CC(C=O)=CC=C1 AC511778 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.2 NC1=CC=CC(CO)=N1 AC190007 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.2 NCC1=CC(Cl)=CC=C1 AC510764 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.2 NCC1=CC=CC(Br)=C1 AC181165 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.2 NCC1=CC=CC(I)=C1 AC180290 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.2 OC1=CC(=CC=C1)C#N AC190275 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.2 OC1=CC=CC(C=O)=C1 AC130074 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.2 OCC1=CC=CC(Br)=C1 AC511533 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.2 OCC1=CC=CC(Br)=N1 AC181774 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182154 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182330 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.3 CC1=C(Br)C(N)=CC=C1 AC510618 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.3 CC1=C(C(=CC=C1)N)F LN00116870 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.3 CC1=C(C(=CC=C1)N)N LN00181629 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.3 CC1=C(Cl)C=CC=C1O AC512058 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.3 CC1=C(F)C=CC=C1O AC181708 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.3 CC1=C(N)C(F)=CC=C1 AC511699 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.3 CC1=C(N)C(O)=CC=C1 AC130189 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.3 CC1=C(N)C=CC=C1O AC260013 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.3 CC1=C(O)C=CC=C1O AC511757 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.3 CC1=CC=CC(Br)=C1F AC181871 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.3 CC1=CC=CC(C)=C1Br AC510845 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.3 CC1=CC=CC(C)=C1I AC100018 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.3 CC1=CC=CC(Cl)=C1N AC180210 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.3 CC1=CC=CC(I)=C1Br AC010291 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.3 CC1=CC=CC(N)=C1F AC181966 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.3 NC1=C(Br)C=CC=C1O AC050251 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.3 NC1=C(N)C(O)=CC=C1 AC511974 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.3 NC1=C(O)C(Br)=CC=C1 AC511031 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.3 NC1=C(O)C=CC=C1F AC512116 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.3 NC1=CC=CC(F)=C1O AC182312 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.3 OC1=C(Br)C(F)=CC=C1 AC511136 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.3 OC1=C(Cl)C=CC=C1Br AC512115 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.3 OC1=C(Cl)C=CC=C1Cl AC190166 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.3 OC1=C(F)C(F)=CC=C1 AC180248 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.3 OC1=C(F)C=CC=C1F AC500287 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.3 OC1=CC=CC(F)=C1Cl AC511851 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.11 COC(=O)C1=CC=CN1 AC511475 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.11 COC(=O)C1=CC=CS1 LN00186303 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.11 COC(=O)C1=CCCC1 AC180978 [0,1,0,1,0,0|0,0,2]=4 254 B9R1.11 COC(=O)C1=CN=CN1 AC180901 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.11 COC(=O)C1=CN=CN1 LN00009425 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.11 COC(=O)C1=CN=CS1 AC021342 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.11 COC(=O)C1=CNC=C1 AC511033 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.11 COC(=O)C1=COC=N1 AC050400 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.11 COC(=O)C1=CSC=C1 AC500266 [0,1,0,1,0,0|1,0,1]=4 260 B9R1.11 COC(=O)C1=CSC=N1 AC181967 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.11 COC(=O)C1=NC=CN1 AC131054 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.11 COC(=O)C1=NNC=C1 AC510661 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.11 COC(=O)C1CC=CC1 AC181768 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.11 NNC(=O)C1=CC=CO1 AC021398 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.21 C1=C(C=O)OC(=C1)C=O LN00190386 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.21 C1=C(C=O)OC(=C1)CO LN00174705 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.21 OCC1=CC=C(O1)C=O AC180058 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.6 CC(=O)C1=CN=CC=N1 AC510694 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.6 CC(=O)C1=NC=CC=N1 AC182273 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.6 CC(=O)C1=NC=NC=C1 LN00221164 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [0,1,0,1,0,0|0,0,1]=3 276 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [0,1,0,1,0,0|0,0,1]=3 277 B9R1.6 OC(=O)C1=CC=NN=C1 AC180268 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.6 OC(=O)C1=CCCCO1 AC170089 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.6 OC(=O)C1=CCNCC1 HY-100810 [0,1,0,1,0,0|0,0,2]=4 280 B9R1.6 OC(=O)C1=CN=CN=C1 AC020529 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.6 OC(=O)C1=COCCC1 AC170013 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [0,1,0,1,0,0|0,0,1]=3 283 B9R1.6 OC(=O)C1=NC=CC=N1 AC181135 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.6 OC(=O)C1=NC=NC=C1 AC180734 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.6 OC(=O)C1=NN=CC=C1 AC511154 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.6 OC(=O)[C@@H]1CCC=CC1 AC310100 [0,1,0,1,0,0|0,0,2]=4 288 B9R1.6 OC(=O)[C@H]1CCC=CC1 AC310113 [0,1,0,1,0,0|0,0,2]=4 289 B9R1.35 C1=C(C(=O)O)SC(=C1)Br LN00009121 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.35 CC1=CC(=NO1)C(O)=O AC500307 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.35 CC1=CC=C(O1)B(O)O AC130312 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.35 CC1=CC=C(O1)C(O)=O AC180680 [0,1,0,1,0,0|0,0,0]=2 294 B9R1.35 CC1=CC=C(S1)B(O)O AC130313 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.35 CC1=CC=C(S1)C(O)=O AC511071 [0,1,0,1,0,0|0,0,0]=2 296 B9R1.35 CC1=NC(=CS1)C(=N)O LN01316401 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.35 CC1=NC=C(C(=O)O)O1 LN00214770 [0,1,0,1,0,0|1,0,0]=3 298 B9R1.35 CC1=NC=C(S1)C(O)=O AC181314 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.35 CC1=NN=C(C(=O)O)S1 LN01372544 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.35 CC1=NNC(=C1)C(O)=O AC190259 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.35 CN1C=CC(=C1)C(O)=O AC182631 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.35 CN1C=CC(=N1)C(O)=O AC181030 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.35 CN1C=NC(=C1)C(O)=O AC181435 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.35 ClC(=O)C1=CC=C(Cl)S1 AC180470 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.35 NC1=NC=C(S1)C(O)=O AC181939 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.35 OC(=O)C1=CC(Br)=CS1 AC181641 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.35 OC(=O)C1=CC=C(Br)O1 AC130080 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.35 OC(=O)C1=CC=C(Br)S1 AC020591 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.35 OC(=O)C1=CC=C(Cl)O1 AC511241 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.35 OC(=O)C1=CC=C(Cl)S1 AC021211 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.35 OC(=O)C1=CN=C(Br)S1 AC511727 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.35 OC(=O)C1=CSC(Br)=C1 AC051032 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.35 OC(=O)C1=CSC(Br)=N1 AC181839 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.35 OC(=O)C1=NNC(Cl)=C1 AC182427 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.69 C1=CC(=C(C=C1Br)O)Br LN00009796 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.69 C1=CC(=C(C=C1O)F)N LN00010756 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.69 CC1=C(Br)C=CC(Br)=N1 AC181955 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.69 CC1=C(Br)C=CC(F)=C1 AC511701 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.69 CC1=C(Br)C=CC(F)=N1 AC181581 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.69 CC1=C(Br)N=CC(O)=C1 AC512033 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 AC180339 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.69 CC1=C(Cl)C=CC(N)=C1 AC180594 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.69 CC1=C(I)C=CC(Br)=C1 AC510637 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.69 CC1=C(I)C=CC(F)=C1 AC512045 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.69 CC1=C(N)C=C(O)C=C1 AC511958 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.69 CC1=C(N)C=CC(Br)=C1 AC180217 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.69 CC1=C(N)C=CC(Br)=N1 AC181579 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.69 CC1=CC(=CC=C1F)N LN00002584 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.69 CC1=CC(=CC=C1N)F LN00112223 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.69 CC1=CC(Br)=C(N)C=C1 AC510854 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 AC511875 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.69 CC1=CC(N)=C(Cl)C=C1 AC180209 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.69 CC1=CC(N)=C(O)C=C1 AC190176 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.69 CC1=CC(N)=CC=C1Br AC510930 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.69 CC1=CC(O)=CC=C1Br AC130242 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.69 CC1=CC(O)=CC=C1Cl HY-B1284 [0,1,0,1,0,0|1,0,0]=3 337 B9R1.69 CC1=CC(O)=CC=C1F AC180456 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.69 CC1=CC(O)=CN=C1Cl AC182648 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.69 CC1=CC(O)=NC=C1Br AC511546 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.69 CC1=CC=C(Br)C(C)=N1 AC180956 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.69 CC1=CC=C(Br)C(N)=C1 AC510815 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.69 CC1=CC=C(Br)C(N)=N1 AC070129 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.69 CC1=CC=C(Br)C(O)=C1 AC182616 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 AC180642 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.69 CC1=CC=C(Cl)C(F)=C1 AC180761 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.69 CC1=CC=C(F)C(N)=C1 AC180208 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.69 CC1=CC=C(N)C(I)=C1 AC500126 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.69 CC1=CC=C(O)C(Cl)=C1 AC190242 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.69 CC1=CC=C(O)C(F)=C1 AC181549 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.69 CC1=CC=C(O)C=C1Br AC182244 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.69 CC1=CC=C(O)C=C1Cl AC180550 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.69 CC1=CC=C(O)C=C1O AC511938 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.69 CC1=NC(C)=C(N)C=C1 AC181294 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.69 CC1=NC(Cl)=CC=C1Br AC182132 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.69 CC1=NC(Cl)=CC=C1N AC181589 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.69 CC1=NC(N)=CC=C1Br AC510768 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.69 CC1=NC(N)=CC=C1Cl AC182425 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.69 CC1=NC(O)=CC=C1Br AC181668 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.69 CC1=NC=C(Cl)C(O)=N1 AC051115 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.69 NC1=C(F)C=C(O)C=C1 AC021410 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.69 NC1=C(O)C=C(Br)C=C1 AC181566 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.69 NC1=CC(O)=CC=C1Cl AC511537 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.69 NC1=CC(O)=CC=C1F AC510884 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.69 NC1=CC=C(F)C=C1O AC500070 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.69 NC1=CC=C(O)C=C1F AC021411 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.69 NC1=CC=C(O)C=C1O AC511671 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.69 OC1=C(Cl)C=CC(F)=C1 AC511127 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.69 OC1=C(I)C=CC(Br)=C1 AC511179 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.69 OC1=CC(Br)=CC=C1Cl AC500081 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.69 OC1=CC(Cl)=CC=C1Br AC180754 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.69 OC1=CC(Cl)=CC=C1Cl AC190212 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.69 OC1=CC(F)=CC=C1Br AC190300 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.69 OC1=CC(F)=CC=C1F AC130349 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.69 OC1=CC=C(Br)C(O)=C1 AC511775 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.69 OC1=CC=C(Br)C=C1O AC510420 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.69 OC1=CC=C(Cl)C(F)=C1 AC510733 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.69 OC1=CC=C(F)C(O)=C1 AC181717 [0,1,0,1,0,0|2,0,0]=4