0 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.41 CC(C)C1=NC=CN1C CS20757 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.41 CC1=C(C(=O)O)C=NO1 CS17770 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.41 CC1=NOC=C1C(=O)O CS18046 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.41 CN1C=CN=C1C(=N)N MC113031 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.41 CN1C=NC=C1C(=O)O CS20748 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.41 CN1C=NC=C1[N+](=O)[O-] CS20767 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.41 CN1N=CC=C1B(O)O MC31186 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.41 CN1N=NC=C1C(=O)O MC115903 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.41 O=C(O)c1ccsc1F MC430854 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 CC(C)C1=NC=CN1 CS21624 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 N=C(N)C1=NC=CN1 MC102406 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 NC(=O)C1=COC=N1 CS11829 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.7 NC(=O)C1C=CCN1 MC436936 [1,0,0,0,0,0|1,0,2]=4 54 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,0,0,0|1,0,2]=4 73 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,0,0,0|1,0,2]=4 74 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.7 O=[N+]([O-])C1=CC=NN1 CS19890 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.7 O=[N+]([O-])C1=CN=CN1 CS22016 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.7 O=[N+]([O-])C1=NC=CN1 CS14315 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.7 OB(O)C1=CC=CN1 MC113759 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.11 CC1=NNC=C1C=O CS22355 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.11 CN1C=CN=C1C#N MC113032 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.11 CN1C=CN=C1C=O CS17882 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.11 CN1C=CN=C1CO CS13833 [1,0,0,0,0,0|1,0,2]=4 83 B8R1.11 CN1N=CC=C1C=O CS18205 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.11 CN1N=CN=C1C=O MC106469 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.11 CN1N=NC=C1C=O MC107582 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.11 O=CC1=CSC=C1Br MC441264 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.39 CCN1C=NC=C1C(=O)O CS16966 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.39 CCN1C=NC=C1[N+](=O)[O-] MC106200 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.39 COC1=CSC=C1C(=O)O CS19448 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 MC442176 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 MC442179 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.59 CC(=O)C1=CC(C)=NN1C CS16943 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.59 CN1N=C(Br)C=C1C(=O)O MC106333 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.149 CC1=C(C(=O)CBr)C=NO1 MC430701 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.149 CN1C=CC=C1C(O)CN MC107741 [0,1,0,0,0,0|0,0,2]=3 106 B10R1.149 COC(=O)C1=C(Br)C=CS1 CS19022 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.149 COC(=O)C1=C(Br)SC=C1 CS14695 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.149 COC(=O)C1=C(C)C=CS1 MC20532 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.149 COC(=O)C1=C(C)N=CS1 CS10100 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.149 COC(=O)C1=C(C)OC=N1 CS12233 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.149 COC(=O)C1=C(C)SC=C1 CS12807 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.149 COC(=O)C1=C(Cl)C=CN1 MC102125 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.149 COC(=O)C1=C(F)C=CS1 MC430932 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.149 COC(=O)C1=C(I)C=CS1 MC431931 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.149 COC(=O)C1=C(N)C=CO1 CS12425 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.149 COC(=O)C1=C(N)C=CS1 CS18173 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.149 COC(=O)C1=C(N)SC=C1 CS19504 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.149 COC(=O)C1=C(O)C=CN1 MC106838 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.149 COC(=O)C1=CC=CN1N CS15888 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.149 COC(=O)C1=CC=NN1C CS16991 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.149 COC(=O)C1=CNN=C1C CS14906 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.149 COC(=O)C1=CSC=C1Br CS16469 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.192 CN1N=CC(Br)=C1[N+](=O)[O-] MC425014 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.192 CN1N=CC(I)=C1C(=O)O CS13419 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.194 CC(=O)C1=CNC(Br)=C1C MC442582 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.194 CC1=NC=C([N+](=O)[O-])N1C CS18135 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [0,1,0,0,0,0|1,0,0]=2 130 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [0,0,0,1,0,0|2,0,0]=3 131 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,0,0,0,0,1|2,0,0]=3 132 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,0,0,0,0,1|1,0,0]=2 133 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,0,0,0,0,1|2,0,0]=3 143 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,0,0,0,0,1|2,0,0]=3 148 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,0,0,0,0,1|2,0,0]=3 152 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.61 CC1=C(C(=O)O)C=CN=N1 MC104787 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,0,0,0,0,1|2,0,0]=3 158 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 MC427198 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 CS19156 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.61 CC1=CN=NC=C1C(=O)O MC101944 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] MC10428 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.61 Cc1ccccc1C(C)Br MC106119 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,0,0,0,0,1|3,0,0]=4 203 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.64 CN1C=CC=C1CC(=O)O MC20727 [0,0,0,0,0,1|1,0,0]=2 214 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,0,0,0,0,1|2,0,0]=3 223 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,0,0,0,0,1|2,0,0]=3 225 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,0,0,0,0,1|1,0,0]=2 226 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,0,0,0,0,1|1,0,0]=2 228 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,0,0,0,0,1|3,0,0]=4 229 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,0,0,0,0,1|2,0,1]=4 234 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,0,0,0,0,1|2,0,1]=4 240 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,0,0,0,0,1|3,0,0]=4 258 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,0,0,0,0,1|3,0,0]=4 263 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,1,0,0,0|0,0,2]=4 264 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,1,0,0,0|1,0,0]=3 265 B7R1.1 CCC1=NC=CN1 CS21533 [2,0,0,0,0,0|1,0,1]=4 266 B7R1.1 NCC1=CC=CN1 CS14874 [2,0,0,0,0,0|1,0,1]=4 267 B7R1.1 O=CC1=CC=CN1 CS17764 [2,0,0,0,0,0|0,0,0]=2 268 B7R1.1 O=CC1=CC=CN1 MC434011 [2,0,0,0,0,0|0,0,0]=2 269 B7R1.1 O=CC1=CC=CO1 MC41686 [2,0,0,0,0,0|1,0,0]=3 270 B7R1.1 O=CC1=CC=CS1 CS16400 [2,0,0,0,0,0|1,0,0]=3 271 B7R1.1 O=CC1=CN=CO1 MC100355 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.1 O=CC1=CN=CS1 CS15582 [2,0,0,0,0,0|2,0,0]=4 273 B7R1.1 O=CC1=CNC=C1 CS20728 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.1 O=CC1=CNC=N1 CS14113 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.1 O=CC1=CSC=C1 CS14553 [2,0,0,0,0,0|2,0,0]=4 276 B7R1.1 O=CC1=CSC=N1 MC33021 [2,0,0,0,0,0|1,0,1]=4 277 B7R1.1 O=CC1=NC=CN1 CS15723 [2,0,0,0,0,0|1,0,0]=3 278 B7R1.1 O=CC1=NNC=C1 CS18284 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.4 CC1=CC=NN1C CS19266 [2,0,0,0,0,0|1,0,0]=3 280 B7R1.4 CN1C=CN=C1Br MC428146 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.4 CN1C=CN=C1I CS21609 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.4 CN1C=NC=C1Br CS17783 [2,0,0,0,0,0|2,0,0]=4 283 B7R1.4 CN1C=NC=C1F MC429980 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.4 CN1C=NC=C1I CS16077 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.4 CN1C=NC=C1N CS17122 [2,0,0,0,0,0|2,0,0]=4 286 B7R1.4 CN1C=NC=C1N MC106511 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.4 CN1N=CC=C1Br CS12124 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.4 CN1N=CC=C1N CS22609 [2,0,0,0,0,0|2,0,0]=4 289 B7R1.4 CN1N=CC=C1O CS10399 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.4 CN1N=CCC1=O CS15601 [2,0,0,0,0,0|1,0,1]=4 291 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [1,1,0,0,0,0|0,0,0]=2 292 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [1,1,0,0,0,0|1,0,1]=4 296 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.11 COC(=O)C1C=CCN1 MC436937 [1,1,0,0,0,0|0,0,2]=4 299 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [1,1,0,0,0,0|1,0,0]=3 306 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [1,1,0,0,0,0|1,0,1]=4 314 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.14 CCN1C=CN=C1C=O CS13816 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.22 CC1=NN(C)C(C=O)=C1 MC21034 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.22 CN1C=C(Br)N=C1C=O MC111411 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.33 CN1C=CC=C1CCO MC106498 [1,1,0,0,0,0|0,0,1]=3 337 B9R1.33 CN1C=NC=C1N=C=O MC106884 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 CS21523 [0,1,0,0,0,1|1,0,1]=4 339 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 CS15281 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 CS12568 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 CS15310 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 MC40492 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.53 COC1=C(C(=O)O)C=CC=C1 CS15086 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS20330 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.53 COC1=C(C(=O)O)C=CN=C1 CS10492 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.53 COC1=C(C(C)=O)C=CN=C1 MC105760 [0,1,0,0,0,1|1,0,0]=3 348 B11R1.53 COC1=C(C(C)=O)C=NC=C1 MC102690 [0,1,0,0,0,1|1,0,0]=3 349 B11R1.53 COC1=CC=CN=C1C(=O)O CS22335 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.53 COC1=CC=CN=C1C(C)=O CS16598 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.53 COC1=CC=NC=C1C(=O)O CS13273 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.53 COC1=NC=CC=C1C(C)=O MC102691 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 CS16759 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F CS13264 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O CS15783 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl MC41246 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F MC41237 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl MC432251 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.156 CC(=O)C1=C(F)C=CC=C1F CS18713 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.156 CC(=O)C1=C(F)C=CC=C1O CS19423 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.156 CC(=O)C1=C(O)C=CC=C1O CS21180 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=N1 MC33523 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.156 CC1=CC=CC(Br)=C1C(=O)O CS21386 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.156 CC1=CC=CC(C)=C1C(=O)O CS10891 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O CS20825 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.156 CC1=CC=CC(Cl)=C1C(N)=O MC41017 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.156 CC1=CC=CC(F)=C1C(=O)Cl MC433688 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.156 CC1=CC=CC(F)=C1C(=O)O CS21875 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.156 CC1=CC=CC(N)=C1C(=O)O CS20994 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.156 CC1=CC=CC(O)=C1C(=O)O CS21594 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.156 CC1=CC=NC(C)=C1C(=O)O MC33430 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.156 CC1=CN=CC(C)=C1C(=O)O CS21998 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.156 CC1=CN=CC(N)=C1C(=O)O MC430673 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,1,0,0,0,1|1,0,0]=3 375 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 CS21018 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 MC41235 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 MC20204 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 MC31073 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 MC442382 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 MC443630 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 CS20991 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 CS20407 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 CS10781 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 CS15701 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 CS20939 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.159 CC(=O)c1cccc(Br)c1N MC433201 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O CS17097 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.159 CC1=C(C(=O)Cl)C=CC=C1Br MC40446 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br CS10774 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl CS22209 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.159 CC1=C(C(=O)O)C=CC=C1F CS20846 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.159 CC1=C(C(=O)O)C=CC=C1I MC20967 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.159 CC1=C(C(=O)O)C=CC=C1N CS20997 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.159 CC1=C(C(=O)O)C=CC=C1O CS20942 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.159 CC1=C(C(N)=O)C=CC=C1F MC41022 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O MC442698 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C MC433669 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS21070 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 MC41228 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 MC433202 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 MC111201 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [0,1,0,0,0,1|1,0,0]=3 405 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 CS14036 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 CS21444 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 MC425453 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 CS20682 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS19013 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl CS13204 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.166 CC(=O)C1=CC=C(F)N=C1F CS16677 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl MC111197 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.166 CC(=O)C1=NC=C(F)C=C1F CS15746 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [0,1,0,0,0,1|1,0,0]=3 426 B11R1.166 CC1=C(C(=O)Cl)C=CC(F)=C1 MC40480 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.166 CC1=C(C(=O)O)C=CC(=O)O1 MC427282 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 CS15606 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 CS22749 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 CS14724 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 CS21999 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 CS19398 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 CS18188 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 CS12971 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.166 CC1=C(C(N)=O)C=CC(Cl)=N1 MC106129 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O CS17552 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O MC431042 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 MC40470 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.166 CC1=CC(C)=NC=C1C(=O)O CS22514 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O MC425056 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.166 CC1=CC(F)=CN=C1C(=O)O MC431877 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.166 CC1=CC(F)=NC=C1C(=O)O MC432072 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.166 CC1=CC(N)=NC=C1C(=O)O MC427212 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)Cl MC106019 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 CS14948 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 MC10476 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 MC41256 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 MC33032 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS21139 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 CS10721 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 CS12150 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 MC41254 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 CS18839 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 MC41223 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 MC442384 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 MC10366 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 CS12985 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 CS12192 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS15935 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 MC10135 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 CS13715 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 CS20840 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 MC33295 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 CS19932 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F MC425594 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.167 CC(=O)C1=NC(C)=CC=C1C MC111076 [0,1,0,0,0,1|1,0,0]=3 469 B11R1.167 CC(=O)C1=NC(Cl)=CC=C1Cl MC106299 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C CS15957 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.167 CC1=C(C(=O)Cl)C=C(F)C=C1 MC428342 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 CS20805 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 CS15972 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 CS10331 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 CS22055 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 CS14966 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 CS21678 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CS10400 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.167 CC1=C(C(=O)[O-])C=C(F)C=C1 MC30018 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS21075 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 MC111078 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.167 CC1=CC=C(O)N=C1C(=O)O MC427108 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 CS22176 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.222 COC(=O)C1=C(C)C=NC=C1 MC121213 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS22331 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.222 COC(=O)C1=CN=CC=C1C CS11648 [0,1,0,0,0,1|1,0,0]=3 502 B11R1.222 COC(=O)C1=CN=CC=C1Cl CS15530 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.222 COC(=O)C1=CN=CC=C1Cl MC425389 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.222 COC(=O)C1=CN=CC=C1N CS18774 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.222 COC(=O)C1=CN=NC=C1C MC102128 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.313 CN1C(=S)NC=C1CC(=O)O MC116231 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 MC41013 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 MC433626 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 MC40481 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,0,1|1,0,0]=3 551 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 MC111196 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS10716 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.74 CC(=O)C1=CC(Cl)=CC(F)=C1 MC41238 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 MC30105 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,1,0,0,0,1|1,0,0]=3 578 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 MC427325 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.74 CC(=O)c1cc(Br)cc(Br)c1 MC433229 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS12399 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 CS15533 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 CS14703 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CS22319 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 MC20749 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 CS21904 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 MC433670 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 MC20267 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [0,1,0,0,0,1|1,0,1]=4 591 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 CS21756 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 CS18139 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 MC40493 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 CS14547 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.266 NC(=O)C1=CC(CBr)=CC=C1 CS16760 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 MC434007 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 CS21006 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 MC40457 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 MC30291 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 CS18966 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.266 O=C(O)C1=NC(CBr)=CC=C1 MC431950 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.178 O=C(O)C1=CC=NN1C(F)F MC429166 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.193 NC(=O)C1=CC=CN1NC=O MC111093 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 CS15304 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.225 COC(=O)C1=C(C)C=C(N)S1 MC107447 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 MC441136 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.225 COC(=O)C1=CC(Cl)=NN1C MC444529 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.225 COC(=O)C1=CC(N)=CN1C MC436185 [0,2,0,0,0,0|0,0,0]=2 613 B11R1.225 COC(=O)C1=NC(Br)=CN1C MC443332 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.672 CN1C(C(=O)O)=NC(Br)=C1Br MC106355 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br MC431106 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.199 CCOC(=O)C1=C(C)C=CN1 CS12952 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.199 CCOC(=O)C1=C(C)NC=C1 CS21661 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.199 CCOC(=O)C1=C(C)SC=C1 CS14520 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.199 CCOC(=O)C1=CC=CN1N MC106600 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.199 CCOC(=O)C1=NC=CN1C CS11324 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 CS16853 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.875 COC(=O)C1=C(I)C=NN1C CS16012 [0,2,0,0,0,0|1,0,0]=3 623 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [0,0,1,1,0,0|2,0,0]=4 624 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,0,1,1,0,0|2,0,0]=4 625 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,0,1,1,0,0|2,0,0]=4 626 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [0,0,1,1,0,0|1,0,1]=4 627 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [0,0,1,1,0,0|1,0,1]=4 628 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [0,0,1,1,0,0|1,0,1]=4 629 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [0,0,1,1,0,0|1,0,1]=4 630 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [0,0,1,1,0,0|0,0,2]=4 631 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,0,1,1,0,0|2,0,0]=4 632 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,1,1,0,0|1,0,1]=4 633 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,1,1,0,0|0,0,2]=4 634 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,1,1,0,0|1,0,1]=4 635 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,1,1,0,0|2,0,0]=4 636 B9R1.15 CC1=C(NN)C=CC=C1 CS19575 [0,0,1,1,0,0|2,0,0]=4 637 B9R1.15 CC1=C(NN)C=CC=C1 MC20365 [0,0,1,1,0,0|2,0,0]=4 638 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [0,0,1,1,0,0|2,0,0]=4 639 B9R1.15 CNC1=C(Cl)C=CC=C1 MC40890 [0,0,1,1,0,0|1,0,1]=4 640 B9R1.15 CNC1=C(F)C=CC=C1 CS13895 [0,0,1,1,0,0|1,0,1]=4 641 B9R1.15 CNC1=CC=CC=C1N CS22302 [0,0,1,1,0,0|1,0,1]=4 642 B9R2.3 C1=NN2CCCC2=C1 CS12798 [1,0,0,1,0,0|1,0,1]=4 643 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,1|2,0,0]=4 644 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,1|1,0,0]=3 645 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,0,0,1,0,1|1,0,0]=3 646 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,0,0,1,0,1|1,0,0]=3 647 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,1,0,1|2,0,0]=4 648 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,0,0,1,0,1|2,0,0]=4 649 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,0,0,1,0,1|2,0,0]=4 650 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,1,0,1|2,0,0]=4 651 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,0,0,1,0,1|2,0,0]=4 652 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,1,0,1|2,0,0]=4 653 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,0,0,1,0,1|2,0,0]=4 654 B11R2.106 O=C1CCCN2C=NC=C12 CS16453 [0,1,0,1,0,0|1,0,0]=3 655 B11R2.106 O=C1CCCN2N=CC=C12 MC443656 [0,1,0,1,0,0|1,0,0]=3 656 B11R2.106 O=C1COCC2=C1C=CN2 MC104839 [0,1,0,1,0,0|2,0,0]=4 657 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,0,0,0,0,2|2,0,0]=4 658 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,0,0,0,0,2|2,0,0]=4 659 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,0,0,0,0,2|2,0,0]=4 660 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,0,0,0,0,2|2,0,0]=4 661 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,0,0,0,0,2|2,0,0]=4 662 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,0,0,0,0,2|1,0,0]=3 663 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,0,0,0,0,2|2,0,0]=4 664 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,0,0,0,0,2|2,0,0]=4 665 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,0,0,0,0,2|2,0,0]=4 666 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,0,0,0,0,2|2,0,0]=4 667 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,0,0,0,0,2|2,0,0]=4 668 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,0,0,0,0,2|1,0,0]=3 669 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,0,0,0,0,2|2,0,0]=4 670 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,0,0,0,0,2|2,0,0]=4 671 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,0,0,0,0,2|2,0,0]=4