0 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CC(C)C1=CN=C(Br)S1 CS14917 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,0,0,0,0,0|1,1,0]=2 20 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.35 CC1=CN=C(B(O)O)S1 MC100716 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 CC1=NC(C(=O)[O-])=NO1 MC114548 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,0,0,0,0,0|2,1,0]=3 27 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS10429 [0,0,0,0,0,0|3,1,0]=4 29 B9R1.35 CC1=NN=C(C(=O)[O-])S1 CS18089 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.35 FC(F)C1=CC=C(Br)S1 MC432136 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 CS22525 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 NC1=NN=C(C(=O)O)S1 CS15409 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,0,0,0,0,0|2,1,0]=3 53 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,0,0,0,0,0|2,1,0]=3 59 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,0,0,0,0,0|2,1,0]=3 61 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,0,0,0,0,0|3,1,0]=4 63 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.35 O=[N+]([O-])C1=CN=C(Br)S1 CS22532 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.35 O=[N+]([O-])c1cnc(Cl)s1 CS14112 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.1 Br[Mg]c1ccc(Br)s1 MC116055 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [1,0,0,0,0,0|1,0,2]=4 77 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,0,0,0,0,0|0,0,0]=1 81 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.1 COC1=NN=C(C)S1 MC107310 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.1 N#CC1=CC=C(Br)S1 CS10307 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.1 N#CC1=CC=C(N)S1 CS17201 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.1 NCc1ccc(F)s1 MC102141 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,0,0,0,0,0|1,0,0]=2 102 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,0,0,0,0,0|1,1,0]=3 103 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.1 O=CC1=CSC(Br)=N1 CS15326 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 O=CC1=NC=C(Br)S1 MC431683 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.1 O=CC1=NC=C(Cl)S1 MC425505 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.1 O=CC1=NC=C(I)S1 MC431752 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.1 OCC1=CC=C(F)S1 MC113611 [1,0,0,0,0,0|1,0,2]=4 110 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,0,0,0|0,1,0]=2 111 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,0,0,0|0,0,0]=1 112 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,0,0,0,0,0|1,1,0]=3 113 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,0,0,0,0,0|1,1,0]=3 118 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,0,0,0,0,0|1,0,0]=2 119 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,0,0,0,0,0|2,0,0]=3 120 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,0,0,0,0,0|2,0,0]=3 121 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,0,0,0,0,0|1,1,1]=4 123 B8R1.7 CC(N)C1=NC=CS1 MC446644 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.7 CC(O)C1=CN=CS1 MC116219 [1,0,0,0,0,0|1,0,2]=4 125 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.7 NC(=O)C1=COC=N1 CS11829 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.7 NC(=S)C1=CN=CS1 MC113938 [1,0,0,0,0,0|2,1,0]=4 130 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,0,0|2,0,0]=3 132 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,0,0,0|1,1,0]=3 133 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,0,0,0|1,0,0]=2 134 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,0,0,0,0,0|2,1,0]=4 135 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,0,0,0,0,0|2,0,0]=3 136 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,0,0,0,0,0|2,1,0]=4 144 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.7 OB(O)C1=CC=CS1 CS22584 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.14 CC1=NOC(C(=O)CBr)=C1 CS11313 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,1,0,0,0,0|0,1,0]=2 152 B10R1.14 CCC(N)C1=CC=C(C)O1 CS16467 [0,1,0,0,0,0|1,1,1]=4 153 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,1,0,0,0,0|1,1,0]=3 159 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,1,0,0,0,0|1,1,0]=3 161 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.14 COC(=O)C1=CN(C)C=N1 CS20747 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS17469 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS15219 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.14 COC(=O)C1=CNC(Br)=C1 MC428134 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS12427 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.14 COC(=O)C1=COC(I)=N1 CS17605 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.14 COC(=O)C1=CSC(Br)=C1 MC441052 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.14 COC(=O)C1=CSC(Br)=N1 CS17463 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.14 COC(=O)C1=NC(Br)=CS1 MC121155 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.14 COC(=O)C1=NC(C)=NS1 MC42244 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.14 COC(=O)C1=NN(C)C=N1 CS14510 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.14 COC(=O)C1=NN(C)N=C1 MC113395 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.14 COC(=O)C1=NN=C(C)O1 CS15328 [0,1,0,0,0,0|2,1,0]=4 181 B10R1.14 COC(=O)C1=NOC(C)=C1 MC33072 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.31 N#CC1=CC=C(C(=O)O)O1 MC114976 [0,1,0,0,0,0|1,1,1]=4 183 B10R1.31 N#CC1=CC=C(C(=O)O)S1 CS14026 [0,1,0,0,0,0|1,0,1]=3 184 B10R1.31 N#CC1=CC=C([N+](=O)[O-])S1 CS10476 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,1,0,0,0,0|1,1,0]=3 186 B10R1.31 O=C(O)C1=CSC(CO)=N1 MC31089 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [0,1,0,0,0,0|1,0,1]=3 188 B10R1.31 O=CC1=CC=C([N+](=O)[O-])S1 CS17401 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [0,1,0,0,0,0|1,1,1]=4 190 B10R1.31 OCC1=CC=C(B(O)O)S1 CS14164 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.55 CS(=O)(=O)C1=CC=C(Br)S1 MC113893 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.55 C[Si](C)(C)C1=CC=C(Br)S1 MC443402 [0,1,0,0,0,0|2,1,0]=4 193 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 MC20303 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 CS10451 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.58 CN1N=C(C(=O)O)C=C1Br MC443314 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.58 CN1N=C(C(=O)O)C=C1Cl MC100365 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.58 CN1N=C(C(=O)O)C=C1N MC102000 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,1,0,0,0,0|2,1,0]=4 203 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 MC442176 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 MC442179 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.59 CC(=O)C1=CC(C)=NN1C CS16943 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 CS21361 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 CS21256 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 CS12601 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 MC113285 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 CS13168 [0,1,0,0,0,0|2,1,0]=4 214 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CS10099 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 CS22732 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.59 CN1C=C(N)C(C(N)=O)=N1 CS13391 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.59 NC1=NC(Cl)=C(C(=O)O)S1 MC110584 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 CS10581 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 MC430778 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.194 CC(=O)C1=CNC(Br)=C1C MC442582 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,0,0,0,0,1|1,0,0]=2 229 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,0,0,0,0,1|1,0,0]=2 230 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,0,0,0,0,1|1,0,0]=2 239 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,0,0,0,0,1|2,0,0]=3 240 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,0,0,0,0,1|1,0,0]=2 244 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,0,0,0,0,1|2,0,0]=3 246 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,0,0,0,0,1|2,0,0]=3 248 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,0,0,0,0,1|2,0,0]=3 249 B10R1.13 CC(=O)C1CC=C(C)CC1 CS14813 [0,0,0,0,0,1|1,0,2]=4 250 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,0,0,0,0,1|2,0,0]=3 263 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,0,0,0,0,1|2,0,0]=3 265 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 CS19359 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,0,0,0,0,1|2,0,1]=4 267 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,0,0,0,0,1|1,0,0]=2 304 B10R1.54 CC(=O)NC1=NC(Br)=CS1 MC442186 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 MC110684 [0,0,0,0,0,1|3,0,0]=4 306 B10R1.54 CC(=O)NC1=NC=C(Br)S1 CS18448 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.54 NC1=NC=C(CC(=O)O)S1 MC103505 [0,0,0,0,0,1|3,0,0]=4 308 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 MC103590 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,0,0,0,0,1|2,0,0]=3 312 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,0,0,0,0,1|2,0,0]=3 313 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,0,0,0,0,1|1,0,0]=2 314 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,0,0,0,0,1|1,0,0]=2 315 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,0,0,0,0,1|2,0,0]=3 316 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,0,0,0,0,1|2,0,0]=3 317 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,0,0,0,0,1|2,0,0]=3 318 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,0,0,0,0,1|2,0,0]=3 319 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,0,0,0,0,1|2,0,0]=3 320 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,0,0,0,0,1|2,0,0]=3 321 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,0,0,0,0,1|2,0,0]=3 322 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,0,0,0,0,1|1,0,0]=2 323 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,0,0,0,0,1|2,0,0]=3 324 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,0,0,0,0,1|1,0,0]=2 325 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,0,0,0,0,1|2,0,0]=3 326 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,0,0,0,0,1|2,0,0]=3 327 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,0,0,0,0,1|2,0,0]=3 328 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,0,0,0,0,1|2,0,0]=3 329 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,0,0,0,0,1|2,0,0]=3 330 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,0,0,0,0,1|2,0,1]=4 331 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,0,0,0,0,1|2,0,0]=3 332 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,0,0,0,0,1|3,0,0]=4 333 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,0,0,0,0,1|2,0,0]=3 334 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,0,0,0,0,1|2,0,0]=3 335 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,0,0,0,0,1|2,0,0]=3 336 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,0,0,0,0,1|2,0,1]=4 337 B10R1.113 CC1=NC(C(=N)N)=NC=C1 MC444358 [0,0,0,0,0,1|3,0,0]=4 338 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,0,0,0,0,1|2,0,0]=3 339 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,0,0,0,0,1|2,0,0]=3 341 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,0,0,0,0,1|2,0,0]=3 342 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [0,0,0,0,0,1|2,0,1]=4 343 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 CS13626 [0,0,0,0,0,1|3,0,0]=4 344 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,0,0,0,0,1|3,0,0]=4 345 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,0,0,0,0,1|3,0,0]=4 346 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,0,0,0,0,1|3,0,0]=4 347 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,0,0,0,0,1|3,0,0]=4 348 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,0,0,0,0,1|3,0,0]=4 349 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,0,0,0,0,1|3,0,0]=4 350 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 MC444184 [0,0,0,0,0,1|3,0,0]=4 351 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,0,0,0,0,1|3,0,0]=4 352 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,0,0,0,0,1|3,0,0]=4 353 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,0,0,0,0,1|3,0,0]=4 354 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,0,0,0,0,1|3,0,0]=4 355 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,0,0,0,0,1|3,0,0]=4 356 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,0,0,0,0,1|3,0,0]=4 357 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,0,0,0,0,1|3,0,0]=4 359 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,0,0,0,0,1|3,0,0]=4 360 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,0,0,0,0,1|3,0,0]=4 361 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,0,0,0,0,1|3,0,0]=4 362 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,0,0,0,0,1|3,0,0]=4 363 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,0,0,0,0,1|3,0,0]=4 364 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,0,0,0,0,1|3,0,0]=4 365 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,0,0,0,0,1|3,0,0]=4 366 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,0,0,0,0,1|3,0,0]=4 367 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,0,0,0,0,1|3,0,0]=4 368 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,0,0,0,0,1|3,0,0]=4 369 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,0,0,0,0,1|3,0,0]=4 370 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,0,0,0,0,1|3,0,0]=4 371 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,0,0,0,0,1|3,0,0]=4 372 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,0,0,0,0,1|3,0,0]=4 373 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,0,0,0,0,1|3,0,0]=4 374 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,0,0,0,0,1|3,0,0]=4 375 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,0,0,0,0,1|3,0,0]=4 376 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,0,0,0,0,1|3,0,0]=4 377 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,0,0,0,0,1|3,0,0]=4 378 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,0,0,0,0,1|3,0,0]=4 379 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,0,0,0,0,1|3,0,0]=4 380 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,0,0,0,0,1|3,0,0]=4 381 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,0,0,0,0,1|3,0,0]=4 382 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,0,0,0,0,1|3,0,0]=4 383 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,0,0,0,0,1|3,0,0]=4 385 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,0,0,0,0,1|3,0,0]=4 386 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,0,0,0,0,1|3,0,0]=4 387 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,0,0,0,0,1|3,0,0]=4 388 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,0,0,0,0,1|3,0,0]=4 390 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,0,0,0,0,1|3,0,0]=4 391 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,0,0,0,0,1|3,0,0]=4 393 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,0,0,0,0,1|3,0,0]=4 395 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,0,0,0,0,1|3,0,0]=4 396 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,1,0,0,0|0,0,2]=4 397 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,1,0,0,0|1,0,0]=3 398 B7R1.1 BrCC1=CC=CS1 MC111260 [2,0,0,0,0,0|1,0,1]=4 399 B7R1.1 Br[Zn]c1cccs1 MC121347 [2,0,0,0,0,0|2,0,0]=4 400 B7R1.1 CNC1=NC=CS1 CS12598 [2,0,0,0,0,0|2,0,0]=4 401 B7R1.1 COC1=NC=CS1 CS22597 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.1 N#CC1=CC=CS1 CS22701 [2,0,0,0,0,0|1,0,1]=4 403 B7R1.1 NCC1=CC=CS1 CS22783 [2,0,0,0,0,0|1,0,1]=4 404 B7R1.1 O=CC1=CC=CN1 CS17764 [2,0,0,0,0,0|1,0,0]=3 405 B7R1.1 O=CC1=CC=CN1 MC434011 [2,0,0,0,0,0|1,0,0]=3 406 B7R1.1 O=CC1=CC=CO1 MC41686 [2,0,0,0,0,0|0,1,0]=3 407 B7R1.1 O=CC1=CC=CS1 CS16400 [2,0,0,0,0,0|0,0,0]=2 408 B7R1.1 O=CC1=CN=CO1 MC100355 [2,0,0,0,0,0|1,1,0]=4 409 B7R1.1 O=CC1=CN=CS1 CS15582 [2,0,0,0,0,0|1,0,0]=3 410 B7R1.1 O=CC1=CNC=C1 CS20728 [2,0,0,0,0,0|2,0,0]=4 411 B7R1.1 O=CC1=CNC=N1 CS14113 [2,0,0,0,0,0|2,0,0]=4 412 B7R1.1 O=CC1=CSC=C1 CS14553 [2,0,0,0,0,0|2,0,0]=4 413 B7R1.1 O=CC1=CSC=N1 MC33021 [2,0,0,0,0,0|2,0,0]=4 414 B7R1.1 O=CC1=NC=CN1 CS15723 [2,0,0,0,0,0|2,0,0]=4 415 B7R1.1 O=CC1=NNC=C1 CS18284 [2,0,0,0,0,0|2,0,0]=4 416 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [2,0,0,0,0,0|2,0,0]=4 417 B7R1.2 CC1=CC=C(Br)S1 CS22735 [2,0,0,0,0,0|1,0,0]=3 418 B7R1.2 CC1=CC=C(C)N1 CS21153 [2,0,0,0,0,0|1,0,0]=3 419 B7R1.2 CC1=CN=C(Br)S1 CS12301 [2,0,0,0,0,0|2,0,0]=4 420 B7R1.2 CC1=CN=C(C)S1 CS22782 [2,0,0,0,0,0|1,0,0]=3 421 B7R1.2 CC1=CN=C(N)S1 CS21821 [2,0,0,0,0,0|2,0,0]=4 422 B7R1.2 CC1=CNC(C)=N1 CS21117 [2,0,0,0,0,0|2,0,0]=4 423 B7R1.2 CC1=CSC(C)=N1 CS22781 [2,0,0,0,0,0|2,0,0]=4 424 B7R1.2 CC1=NC=C(I)S1 MC441133 [2,0,0,0,0,0|2,0,0]=4 425 B7R1.2 CC1=NC=C(N)S1 CS15937 [2,0,0,0,0,0|2,0,0]=4 426 B7R1.2 CC1=NN(C)C=C1 CS20520 [2,0,0,0,0,0|2,0,0]=4 427 B7R1.2 CC1=NNC(=O)S1 MC107311 [2,0,0,0,0,0|2,0,0]=4 428 B7R1.2 CN1C=CC(=O)N1 CS17197 [2,0,0,0,0,0|2,0,0]=4 429 B7R1.2 ClC1=CC=C(I)S1 MC114731 [2,0,0,0,0,0|2,0,0]=4 430 B9R0.53 CC(C)=CC(=O)C=C(C)C MC10339 [0,1,1,0,0,0|2,0,0]=4 431 B9R1.7 CC1=CC=C(N=C=O)O1 MC106103 [1,1,0,0,0,0|0,1,1]=4 432 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.7 O=CCC1=NC=C(Br)S1 MC104142 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.21 COC1=NC=C(C=O)S1 MC443812 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.21 N#CC1=CC=C(C=O)S1 CS10362 [1,1,0,0,0,0|0,0,1]=3 437 B9R1.21 N#CC1=CC=C(CBr)S1 CS10149 [1,1,0,0,0,0|1,0,1]=4 438 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [1,1,0,0,0,0|0,1,1]=4 439 B9R1.21 O=CC1=CC=C(C=O)S1 MC445785 [1,1,0,0,0,0|0,0,1]=3 440 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [1,1,0,0,0,0|0,1,0]=3 442 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.22 CC1=NC(C)=C(C=O)N1 MC427470 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.22 NC1=NC(Cl)=C(C=O)S1 CS18473 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 CS16290 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.22 O=CC1=C(Cl)NC(=O)S1 MC30313 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [1,1,0,0,0,0|0,1,0]=3 450 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.19 NS(=O)(=O)C1=CC=CS1 CS22596 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 MC20419 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [1,1,0,0,0,0|0,0,0]=2 460 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,1,0,0,0,1|1,0,1]=4 472 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,1,0,0,0,1|1,0,0]=3 473 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,1,0,0,0,1|1,0,0]=3 478 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,1,0,0,0,1|1,0,0]=3 479 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,1,0,0,0,1|1,0,0]=3 481 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 CS15778 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 MC20325 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 CS18466 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.3 NCc1ccc(C(N)=O)cn1 MC431292 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 MC40458 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 MC10316 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CS20829 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS20945 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.21 CC1=C(Cl)C=C(C(=O)[O-])C=C1 MC40343 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 MC433702 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [0,1,0,0,0,1|1,1,0]=4 545 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,1,0,0,0,1|1,0,0]=3 547 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.22 O=C(CBr)C1=CC=C(Cl)N=N1 MC431152 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 MC41228 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 MC433202 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 MC111201 [0,1,0,0,0,1|1,0,0]=3 565 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 CS14036 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 CS21444 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 MC425453 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 CS20682 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [0,1,0,0,0,1|1,0,0]=3 573 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS19013 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl CS13204 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.166 CC(=O)C1=CC=C(F)N=C1F CS16677 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl MC111197 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.166 CC(=O)C1=NC=C(F)C=C1F CS15746 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [0,1,0,0,0,1|1,0,0]=3 587 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 CS12084 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS21362 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 MC40470 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.166 CC1=CC(C)=NC=C1C(=O)O CS22514 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS21449 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 CS20842 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 CS20440 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 CS20948 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 CS15720 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 MC103700 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 CS20205 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 CS15914 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.166 CC1=NC=C(C(=O)O)C(F)=C1 MC432353 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 CS12116 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.166 CC1=NC=C(C(=O)O)C(O)=C1 CS20333 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.39 COC(=O)CC1=NC=C(Cl)S1 MC105132 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS18168 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,0,1|1,0,0]=3 613 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS18382 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.23 COC(=O)C1=CC(N)=NC=C1 CS19528 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.23 COC(=O)C1=CC(N)=NC=C1 MC442551 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.23 COC(=O)C1=CC(S)=NC=C1 MC430617 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,1,0,0,0,1|1,0,0]=3 626 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS12870 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 CS15709 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,1,0,0,0,1|1,0,0]=3 632 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,1,0,0,0,1|1,0,0]=3 633 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,1,0,0,0,1|1,0,0]=3 634 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 CS12231 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS12287 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS15550 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.23 COC(=O)C1=NC=CC(Br)=N1 MC431545 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,1,0,0,0,1|1,0,0]=3 642 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,1,0,0,0,1|1,0,0]=3 643 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 MC431559 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 MC431210 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 MC111196 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,1,0,0,0,1|1,0,0]=3 654 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS10716 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.74 CC(=O)C1=CC(Cl)=CC(F)=C1 MC41238 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 MC30105 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,1,0,0,0,1|1,0,0]=3 658 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 MC427325 [0,1,0,0,0,1|1,0,0]=3 659 B11R1.74 CC(=O)c1cc(Br)cc(Br)c1 MC433229 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS12399 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 CS15533 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS14042 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 CS14703 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CS22319 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 CS10680 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 MC20749 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 CS21904 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 MC433670 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 MC20267 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 MC432042 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 CS21018 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 MC41235 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 MC20204 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 MC31073 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 MC442382 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 MC443630 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 CS20991 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 CS20407 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,1,0,0,0,1|1,0,0]=3 683 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 CS10781 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 CS15701 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 CS20939 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.159 CC(=O)c1cccc(Br)c1N MC433201 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C MC433669 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br CS10769 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS21070 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CS21867 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.159 CC1=CC=CC(C(=O)O)=C1I CS21611 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.159 CC1=CC=CC(C(=O)O)=C1N CS21804 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.159 CC1=CC=CC(C(=O)O)=C1O CS16085 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 CS14948 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 MC10476 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 MC41256 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 MC33032 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS21139 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 CS10721 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 CS12150 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 MC41254 [0,1,0,0,0,1|1,0,0]=3 702 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 CS18839 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 MC41223 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 MC442384 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 MC10366 [0,1,0,0,0,1|2,0,0]=4 706 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 CS12985 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 CS12192 [0,1,0,0,0,1|2,0,0]=4 708 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS15935 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 MC10135 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 CS13715 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 CS20840 [0,1,0,0,0,1|2,0,0]=4 712 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 MC33295 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 CS19932 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F MC425594 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.167 CC(=O)C1=NC(C)=CC=C1C MC111076 [0,1,0,0,0,1|1,0,0]=3 716 B11R1.167 CC(=O)C1=NC(Cl)=CC=C1Cl MC106299 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C CS15957 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.167 CC1=CC(C(=O)Cl)=C(F)C=C1 MC40479 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CS10772 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS21075 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CS19779 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.167 CC1=CC(C(=O)O)=C(Cl)N=C1 CS17254 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 MC40284 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 CS21612 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.167 CC1=CC(C(=O)O)=C(I)N=C1 MC429858 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 CS20992 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 MC112964 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.167 CC1=CC(C(N)=O)=C(N)C=C1 CS14304 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 MC111079 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 MC111078 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 MC431567 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 MC443687 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 MC105730 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=C1 MC432147 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 CS19714 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 MC444393 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.266 CC(=O)C1=CC(C#N)=CN=C1 MC430333 [0,1,0,0,0,1|1,0,1]=4 738 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [0,1,0,0,0,1|1,0,1]=4 739 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,1,0,0,0,1|1,0,0]=3 740 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 CS21756 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 MC33524 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 CS18139 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.266 COC1=CC(C(=O)O)=CN=C1 CS20059 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS20334 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,1,0,0,0,1|1,0,0]=3 746 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 MC40493 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.266 COC1=NC=CC(C(=O)O)=C1 CS10487 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.266 COC1=NC=CC(C(=O)O)=N1 MC441255 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 CS19819 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 CS14547 [0,1,0,0,0,1|1,0,0]=3 754 B11R1.266 NC(=O)C1=CC(CBr)=CC=C1 CS16760 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 MC434007 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 CS21006 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.266 NCc1cc(C(N)=O)ccn1 MC431293 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 MC40457 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 MC30291 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 CS18966 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.266 O=C(O)C1=NC(CBr)=CC=C1 MC431950 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.15 CCOC(=O)C1=CC(C)=CN1 MC41683 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 MC441009 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 CS12128 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.15 CCOC(=O)C1=CC=C(C)N1 CS10437 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.15 CCOC(=O)C1=CC=C(N)N1 CS15649 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 CS19262 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 CS11339 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.15 CCOC(=O)C1=CN=C(N)S1 CS19535 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.15 CCOC(=O)C1=CSC(C)=N1 CS20415 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 MC428242 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.15 CCOC(=O)C1=NN(C)C=C1 CS15596 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.15 N#CCC(=O)C1=CC=C(I)S1 MC114815 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.44 COC(=O)C1=CC=C(CCl)O1 MC434060 [0,2,0,0,0,0|0,1,0]=3 775 B11R1.44 COC(=O)C1=CC=C(CN)N1 CS15829 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.44 COC(=O)C1=CN=C(C#N)S1 MC105000 [0,2,0,0,0,0|1,0,1]=4 777 B11R1.44 COC(=O)C1=CN=C(C=O)S1 MC104999 [0,2,0,0,0,0|1,0,1]=4 778 B11R1.225 CC1=C(C(=O)CBr)SC(N)=N1 CS17871 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.225 CC1=C(C(=O)CBr)SC(N)=N1 MC100295 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.225 COC(=O)C1=C(C)C=C(N)S1 MC107447 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 CS10113 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 MC441136 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.225 COC(=O)C1=C(Cl)N=C(N)S1 MC110585 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.225 COC(=O)C1=C(F)C=C(Br)S1 MC430779 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.225 COC(=O)C1=C(N)C=C(Br)S1 CS15768 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 CS11620 [0,2,0,0,0,0|0,0,0]=2 787 B11R1.225 COC(=O)C1=C(O)C=C(C)S1 CS12929 [0,2,0,0,0,0|0,0,0]=2 788 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 CS21777 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.226 COC(=O)C1=CC(N)=C(Br)S1 CS16876 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 MC115516 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.226 COC(=O)C1=NN(C)C(Br)=C1 MC443315 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.226 COC(=O)C1=NN(C)C(N)=C1 CS15099 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 CS16853 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 CS20417 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.48 O=CC1=C(Br)C=C(C(=O)O)S1 MC107896 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.175 CC(=O)C1=CC=C(B(O)O)S1 CS19453 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.175 CC(=O)C1=CC=C([N+](=O)[O-])S1 CS19196 [0,2,0,0,0,0|1,0,0]=3 798 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 MC428181 [0,2,0,0,0,0|1,1,0]=4 799 B11R1.175 O=C(O)C1=CC=C(B(O)O)S1 MC442580 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.175 O=C(O)C1=CC=C(C(=O)O)S1 CS22945 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.175 O=C(O)C1=CC=C(C(F)F)S1 MC107672 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.175 O=C(O)C1=CC=C([N+](=O)[O-])S1 CS17404 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.672 O=C(O)C1=C(O)C(Cl)=C(Cl)S1 MC111812 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 CS13358 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,1,1,0,0|1,0,1]=4 806 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,1,1,0,0|2,0,0]=4 807 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,1,1,0,0|2,0,0]=4 808 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,1,1,0,0|1,0,1]=4 809 B9R1.69 CC1=CC(C)=C(Br)C=C1 MC41530 [0,0,1,1,0,0|2,0,0]=4 810 B9R1.69 CC1=CC(C)=C(C)C=C1 MC41547 [0,0,1,1,0,0|2,0,0]=4 811 B9R1.69 CC1=CC(C)=C(F)C=C1 MC33141 [0,0,1,1,0,0|2,0,0]=4 812 B9R1.69 CC1=CC(C)=C(N)C=C1 CS20011 [0,0,1,1,0,0|2,0,0]=4 813 B9R1.69 CC1=CC(C)=C(O)C=C1 MC30165 [0,0,1,1,0,0|1,1,0]=4 814 B9R1.69 CC1=CC(C)=C(S)C=C1 MC443880 [0,0,1,1,0,0|1,0,0]=3 815 B9R1.69 CC1=CC=C(Br)C(C)=N1 CS20363 [0,0,1,1,0,0|2,0,0]=4 816 B9R1.69 CC1=CC=C(F)C(C)=N1 MC429927 [0,0,1,1,0,0|2,0,0]=4 817 B9R1.69 CC1=CC=C(N)C(C)=N1 CS19572 [0,0,1,1,0,0|2,0,0]=4 818 B9R1.69 CC1=CC=C(O)C(C)=N1 MC41612 [0,0,1,1,0,0|1,1,0]=4 819 B9R1.69 Cc1ccc(Cl)c(C)c1 MC433524 [0,0,1,1,0,0|2,0,0]=4 820 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [1,0,0,0,0,1|1,0,0]=3 821 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [1,0,0,0,0,1|1,0,0]=3 822 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [1,0,0,0,0,1|1,0,0]=3 823 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [1,0,0,0,0,1|1,0,0]=3 824 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [1,0,0,0,0,1|1,0,0]=3 825 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [1,0,0,0,0,1|1,0,0]=3 826 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [1,0,0,0,0,1|1,0,0]=3 827 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [1,0,0,0,0,1|1,0,1]=4 828 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [1,0,0,0,0,1|2,0,0]=4 829 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [1,0,0,0,0,1|2,0,0]=4 830 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [1,0,0,0,0,1|2,0,0]=4 831 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [1,0,0,0,0,1|2,0,0]=4 832 B9R1.2 NC1=NC=CC(C=O)=C1 CS18505 [1,0,0,0,0,1|2,0,0]=4 833 B9R1.2 NC1=NC=CC(C=O)=C1 MC103369 [1,0,0,0,0,1|2,0,0]=4 834 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [1,0,0,0,0,1|2,0,0]=4 835 B9R1.2 O=CC1=CC(Br)=NC=C1 CS18783 [1,0,0,0,0,1|2,0,0]=4 836 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [1,0,0,0,0,1|2,0,0]=4 837 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [1,0,0,0,0,1|2,0,0]=4 838 B9R1.2 O=CC1=CC(F)=NC=C1 MC431324 [1,0,0,0,0,1|2,0,0]=4 839 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [1,0,0,0,0,1|2,0,0]=4 840 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [1,0,0,0,0,1|2,0,0]=4 841 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [1,0,0,0,0,1|2,0,0]=4 842 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [1,0,0,0,0,1|2,0,0]=4 843 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [1,0,0,0,0,1|2,0,0]=4 844 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [1,0,0,0,0,1|2,0,0]=4 845 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [1,0,0,0,0,1|2,0,0]=4 846 B9R1.2 O=CC1=NC(Cl)=CN=C1 MC103056 [1,0,0,0,0,1|2,0,0]=4 847 B9R1.2 O=CC1=NC(Cl)=NC=C1 MC104746 [1,0,0,0,0,1|2,0,0]=4 848 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [1,0,0,0,0,1|2,0,0]=4 849 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [1,0,0,0,0,1|2,0,0]=4 850 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [1,0,0,0,0,1|2,0,0]=4 851 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [1,0,0,0,0,1|1,0,0]=3 852 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [1,0,0,0,0,1|2,0,0]=4 853 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,0,0,0,0,2|2,0,0]=4 854 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,0,0,0,0,2|2,0,0]=4 855 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,0,0,0,0,2|1,0,0]=3 856 B11R1.20 CC(=O)NC1=CC=C(Cl)N=N1 MC443192 [0,0,0,0,0,2|2,0,0]=4 857 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,0,0,0,0,2|2,0,0]=4 858 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,0,0,0,0,2|2,0,0]=4 859 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,0,0,0,0,2|2,0,0]=4 860 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,0,0,0,0,2|2,0,0]=4 861 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,0,0,0,0,2|2,0,0]=4 862 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,0,0,0,0,2|2,0,0]=4 863 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,0,0,0,0,2|2,0,0]=4 864 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,0,0,0,0,2|2,0,0]=4 865 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,0,0,0,0,2|2,0,0]=4 866 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [0,0,0,0,0,2|2,0,0]=4 867 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,0,0,0,0,2|2,0,0]=4 868 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,0,0,0,0,2|2,0,0]=4 869 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 MC20703 [0,0,0,0,0,2|2,0,0]=4 870 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [0,0,0,0,0,2|2,0,0]=4 871 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [0,0,0,0,0,2|2,0,0]=4 872 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,0,0,0,0,2|2,0,0]=4 873 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,0,0,0,0,2|1,0,0]=3 874 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,0,0,0,0,2|2,0,0]=4 875 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,0,0,0,0,2|2,0,0]=4 876 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,0,0,0,0,2|2,0,0]=4 877 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,0,0,0,0,2|2,0,0]=4