0 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 CN(CC1=NC=CC=C1)C(=O)Cl MC110623 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442654 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442683 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442684 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,0,0,0,0,0|1,0,1]=2 11 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [0,0,0,0,0,0|2,0,1]=3 19 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,0,0,0,0,0|0,0,2]=2 23 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,0,0,0,0,0|0,0,2]=2 24 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,0,0,0,0,0|0,0,2]=2 25 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MC437778 [0,0,0,0,0,0|1,0,2]=3 26 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [1,0,0,0,0,0|0,0,1]=2 31 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,0,0,0,0|0,0,1]=2 42 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [1,0,0,0,0,0|1,0,2]=4 47 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437927 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437928 [0,1,0,0,0,0|1,0,1]=3 49 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438265 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438266 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC439196 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O CS10882 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC40196 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC426010 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O CS10883 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O MC436857 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS10886 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS22841 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428050 [0,1,0,0,0,0|1,0,1]=3 60 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428053 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O CS10887 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC106641 [0,1,0,0,0,0|1,0,1]=3 63 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC426012 [0,1,0,0,0,0|1,0,1]=3 64 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19139 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19180 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC436856 [0,1,0,0,0,0|1,0,1]=3 67 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC439349 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O MC439087 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436187 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436188 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436189 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC439242 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.133 [15NH2]C(Cc1ccc(O)cc1)C(=O)O MC438264 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.135 COC(=O)C(N)Cc1cccnc1 MC438145 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [0,1,0,0,0,0|0,0,2]=3 80 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [0,1,0,0,0,0|0,0,2]=3 81 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [0,1,0,0,0,0|0,0,2]=3 82 B13R1.135 NC(Cc1ccccc1)C(=O)CCl MC438073 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.135 NNC(=O)C(N)Cc1ccccc1 MC439014 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.148 CC1=CC=CC(NC(C)C(=O)O)=C1 MC426011 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.148 NC(=S)C(=O)NC1=CC(Cl)=CC=C1 MC430685 [0,1,0,0,0,0|2,1,0]=4 86 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O CS14986 [0,1,0,0,0,0|1,0,1]=3 87 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O MC112761 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O MC20846 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428048 [0,1,0,0,0,0|1,0,1]=3 90 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428051 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428052 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O MC439128 [0,1,0,0,0,0|1,0,1]=3 93 B13R1.148 NC(Cc1cccc(Br)c1)C(=O)O MC439273 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439089 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439095 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439404 [0,1,0,0,0,0|1,0,1]=3 97 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MC438101 [0,1,0,0,0,0|1,0,1]=3 98 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O CS13600 [0,1,0,0,0,0|0,0,2]=3 99 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O MC438094 [0,1,0,0,0,0|0,0,2]=3 100 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 MC40199 [0,1,0,0,0,0|1,0,1]=3 101 B13R1.202 Cc1ccccc1CC(N)C(=O)O MC439281 [0,1,0,0,0,0|1,0,1]=3 102 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS13435 [0,1,0,0,0,0|1,0,1]=3 103 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS18722 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O MC428049 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O MC429431 [0,1,0,0,0,0|1,0,1]=3 106 B13R1.202 NC(Cc1ccccc1Br)C(=O)O MC439172 [0,1,0,0,0,0|1,0,1]=3 107 B13R1.202 NC(Cc1ccccc1Br)C(=O)O MC439350 [0,1,0,0,0,0|1,0,1]=3 108 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O MC439094 [0,1,0,0,0,0|1,0,1]=3 109 B13R1.202 NC(Cc1ccccc1F)C(=O)O MC439092 [0,1,0,0,0,0|1,0,1]=3 110 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O CS17818 [0,1,0,0,0,0|1,0,1]=3 111 B13R1.418 CNC(Cc1ccccc1)C(=O)O MC437926 [0,1,0,0,0,0|1,0,1]=3 112 B13R1.1073 CC(=O)C(C)(O)CC1=CC=CC=C1 MC106869 [0,1,0,0,0,0|1,0,2]=4 113 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437929 [0,1,0,0,0,0|1,0,1]=3 114 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437930 [0,1,0,0,0,0|1,0,1]=3 115 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437931 [0,1,0,0,0,0|1,0,1]=3 116 B13R2.369 O=C1NC2=C(N=CC=C2)NC1=O MC107831 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 MC107177 [0,0,0,1,0,0|2,0,1]=4 118 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,0,0,1,0,0|1,1,1]=4 119 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,0,0,1,0,0|2,0,1]=4 120 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,0,0,1,0,0|3,0,0]=4 121 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,0,0,1,0,0|2,0,1]=4 122 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,0,0,1,0,0|2,0,1]=4 123 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 CS16659 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,0,0,1,0,0|0,0,2]=3 125 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,0,0,1,0,0|0,1,1]=3 126 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,0,0,1,0,0|2,0,1]=4 127 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,0,0,1,0,0|1,1,1]=4 128 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,0,0,1,0,0|1,0,1]=3 129 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,0,0,1,0,0|2,0,1]=4 130 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,0,0,1,0,0|1,1,1]=4 131 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,0,0,1,0,0|2,0,1]=4 132 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,0,0,1,0,0|1,0,2]=4 133 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,0,0,1,0,0|1,1,1]=4 134 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,0,0,1,0,0|2,0,1]=4 135 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,0,0,1,0,0|1,1,1]=4 136 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS18408 [0,0,0,1,0,0|2,0,1]=4 137 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,0,0,1,0,0|2,0,0]=3 138 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,0,0,1,0,0|1,0,1]=3 139 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 CS10508 [0,0,0,1,0,0|1,1,0]=3 140 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 CS11042 [0,0,0,1,0,0|1,0,1]=3 141 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 MC20135 [0,0,0,1,0,0|1,0,1]=3 142 B11R1.35 NC(CC1=CC=CO1)C(=O)O CS13507 [0,0,0,0,1,0|2,0,1]=4 143 B11R1.35 NC(CC1=CC=CS1)C(=O)O CS20416 [0,0,0,0,1,0|2,0,1]=4 144 B11R1.35 NC(Cc1cccs1)C(=O)O MC438193 [0,0,0,0,1,0|2,0,1]=4 145 B11R1.35 NC(Cc1cccs1)C(=O)O MC438194 [0,0,0,0,1,0|2,0,1]=4 146 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,0,0,0,1,0|1,0,0]=2 147 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,0,0,0,1,0|2,0,1]=4 148 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,0,0,0,1,0|1,0,1]=3 149 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,0,0,0,1,0|1,0,1]=3 150 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,0,0,0,1,0|2,0,1]=4 151 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,0,0,0,1,0|2,0,1]=4 152 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,0,0,0,1,0|2,0,1]=4 153 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,0,0,0,1,0|1,0,1]=3 154 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,0,0,0,1,0|1,0,1]=3 155 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,0,0,0,1,0|1,0,1]=3 156 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,0,0,0,1,0|1,0,1]=3 157 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,0,0,0,1,0|0,0,2]=3 158 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,0,0,0,1,0|0,0,2]=3 159 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,0,0,0,1,0|0,0,2]=3 160 B13R1.348 CN(CC(=O)[O-])CC1=CC=CC=C1 MC106249 [0,0,0,0,0,1|2,0,1]=4 161 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CS11157 [0,0,0,0,0,1|1,0,1]=3 162 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 CS14334 [0,0,0,0,0,1|2,0,1]=4 163 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436155 [0,0,0,0,0,1|2,0,1]=4 164 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436157 [0,0,0,0,0,1|2,0,1]=4 165 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436158 [0,0,0,0,0,1|2,0,1]=4 166 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 MC437818 [0,0,0,0,0,1|1,0,1]=3 167 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS17364 [0,0,0,0,0,1|1,0,1]=3 168 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS15331 [0,0,0,0,0,1|3,0,0]=4 169 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O CS11152 [0,0,0,0,0,1|1,0,1]=3 170 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437761 [0,0,0,0,0,1|1,0,1]=3 171 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437762 [0,0,0,0,0,1|1,0,1]=3 172 B13R1.351 NC(CSc1ccccc1)C(=O)O MC436913 [0,0,0,0,0,1|1,0,1]=3 173 B13R1.351 NC(C[Se]C1=CC=CC=C1)C(=O)O MC435422 [0,0,0,0,0,1|1,0,1]=3 174 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11117 [0,0,0,0,0,1|0,0,2]=3 175 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11118 [0,0,0,0,0,1|0,0,2]=3 176 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|0,0,2]=4 177 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [2,0,0,0,0,0|1,0,1]=4 178 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [2,0,0,0,0,0|1,0,1]=4 180 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [2,0,0,0,0,0|0,0,1]=3 194 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [1,1,0,0,0,0|0,0,1]=3 217 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [1,1,0,0,0,0|0,0,1]=3 218 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,1,0,0,0,0|0,0,1]=3 221 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [1,1,0,0,0,0|0,0,1]=3 222 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [1,1,0,0,0,0|0,0,1]=3 223 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [1,1,0,0,0,0|0,0,1]=3 225 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [1,1,0,0,0,0|0,0,1]=3 226 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [1,1,0,0,0,0|0,0,1]=3 227 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,1,0,0,0,0|0,0,1]=3 228 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,1,0,0,0,0|0,0,1]=3 235 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,1,0,0,0,0|0,0,1]=3 236 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,1,0,0,0,0|0,0,1]=3 238 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [1,1,0,0,0,0|0,0,1]=3 239 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [1,1,0,0,0,0|0,0,1]=3 243 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [1,1,0,0,0,0|0,0,1]=3 244 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [1,1,0,0,0,0|0,0,1]=3 245 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [1,1,0,0,0,0|0,0,1]=3 246 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [1,1,0,0,0,0|0,0,1]=3 247 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [1,1,0,0,0,0|0,0,1]=3 248 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [1,1,0,0,0,0|0,0,1]=3 249 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [1,1,0,0,0,0|0,0,1]=3 250 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [1,1,0,0,0,0|0,0,1]=3 251 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,1,0,0,1,0|1,0,1]=4 252 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 CS20887 [0,1,0,0,1,0|1,0,1]=4 253 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS10846 [0,1,0,0,1,0|1,0,1]=4 254 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS15576 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS19207 [0,1,0,0,1,0|1,0,1]=4 256 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC20331 [0,1,0,0,1,0|1,0,1]=4 257 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429561 [0,1,0,0,1,0|1,0,1]=4 258 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429563 [0,1,0,0,1,0|1,0,1]=4 259 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS21023 [0,1,0,0,1,0|1,0,1]=4 260 B12R1.20 O=C(C1=CC=C(F)C=C1)C(O)O MC33140 [0,1,0,0,1,0|0,0,2]=4 261 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,1,0,0,1,0|0,0,0]=2 262 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 MC40142 [0,1,0,0,1,0|1,0,1]=4 263 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [0,1,0,0,1,0|0,0,2]=4 264 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,1,0,0,1,0|0,0,2]=4 265 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,1,0,0,1,0|0,0,2]=4 266 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [0,1,0,0,1,0|0,0,2]=4 267 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 CS21673 [0,1,0,0,1,0|1,0,1]=4 268 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 CS10848 [0,1,0,0,1,0|1,0,1]=4 269 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 MC427207 [0,1,0,0,1,0|0,0,1]=3 270 B12R1.124 O=C(Cl)C(=O)C1=C(Cl)C=CC=C1 MC105996 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,1,0,0,1,0|0,0,0]=2 272 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 MC20972 [0,1,0,0,1,0|1,0,1]=4 273 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 CS10783 [0,1,0,0,1,0|0,0,2]=4 274 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 CS14817 [0,1,0,0,1,0|1,0,1]=4 275 B12R1.225 CC(C(=O)O)C1=CC(N)=CC=C1 MC102234 [0,1,0,0,1,0|1,0,1]=4 276 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [0,1,0,0,1,0|1,0,1]=4 277 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 MC40137 [0,1,0,0,1,0|1,0,1]=4 278 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 CS13705 [0,1,0,0,1,0|0,0,2]=4 279 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CS10020 [0,1,0,0,1,0|1,0,1]=4 280 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,1,0,0,1,0|1,0,1]=4 281 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,1,0,0,1,0|1,0,1]=4 282 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,1,0,0,1,0|1,0,1]=4 283 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,1,0,0,1,0|1,0,1]=4 284 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,1,0,0,1,0|0,0,2]=4 285 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105852 [0,1,0,0,1,0|1,0,1]=4 286 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105853 [0,1,0,0,1,0|1,0,1]=4 287 B12R1.564 C=C(C1=CC=CC=C1)P(=O)(O)O MC114487 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 CS15837 [0,1,0,0,1,0|1,0,1]=4 289 B14R1.337 CC1=C(CC(=O)CC(=O)Cl)C=CC=C1 MC106005 [0,1,0,0,0,1|1,0,0]=3 290 B14R1.337 CC1=C(CC(=O)CC(=O)O)C=CC=C1 MC105953 [0,1,0,0,0,1|0,0,0]=2 291 B14R1.337 O=C(Cl)CC(=O)CC1=C(Cl)C=CC=C1 MC105999 [0,1,0,0,0,1|1,0,0]=3 292 B14R1.337 O=C(Cl)CC(=O)CC1=C(F)C=CC=C1 MC106002 [0,1,0,0,0,1|1,0,0]=3 293 B14R1.337 O=C(O)CC(=O)CC1=C(Cl)C=CC=C1 MC105947 [0,1,0,0,0,1|0,0,0]=2 294 B14R1.337 O=C(O)CC(=O)CC1=C(F)C=CC=C1 MC105950 [0,1,0,0,0,1|0,0,0]=2 295 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O CS19318 [0,1,0,0,0,1|1,0,1]=4 296 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O MC100350 [0,1,0,0,0,1|1,0,1]=4 297 B14R1.698 CC1=CC=C(CC(=O)CC(=O)Cl)C=C1 MC106003 [0,1,0,0,0,1|1,0,0]=3 298 B14R1.698 CC1=CC=C(CC(=O)CC(=O)O)C=C1 MC105951 [0,1,0,0,0,1|0,0,0]=2 299 B14R1.698 NC(CC(=O)O)Cc1ccc(Br)cc1 MC439405 [0,1,0,0,0,1|1,0,1]=4 300 B14R1.698 O=C(Cl)CC(=O)CC1=CC=C(Cl)C=C1 MC105997 [0,1,0,0,0,1|1,0,0]=3 301 B14R1.698 O=C(Cl)CC(=O)CC1=CC=C(F)C=C1 MC106000 [0,1,0,0,0,1|1,0,0]=3 302 B14R1.698 O=C(O)CC(=O)CC1=CC=C(Cl)C=C1 MC105945 [0,1,0,0,0,1|0,0,0]=2 303 B14R1.698 O=C(O)CC(=O)CC1=CC=C(F)C=C1 MC105948 [0,1,0,0,0,1|0,0,0]=2 304 B14R1.5978 CC1=CC=CC(CC(=O)CC(=O)Cl)=C1 MC106004 [0,1,0,0,0,1|1,0,0]=3 305 B14R1.5978 CC1=CC=CC(CC(=O)CC(=O)O)=C1 MC105952 [0,1,0,0,0,1|0,0,0]=2 306 B14R1.5978 O=C(Cl)CC(=O)CC1=CC(Cl)=CC=C1 MC105998 [0,1,0,0,0,1|1,0,0]=3 307 B14R1.5978 O=C(Cl)CC(=O)CC1=CC(F)=CC=C1 MC106001 [0,1,0,0,0,1|1,0,0]=3 308 B14R1.5978 O=C(O)CC(=O)CC1=CC(Cl)=CC=C1 MC105946 [0,1,0,0,0,1|0,0,0]=2 309 B14R1.5978 O=C(O)CC(=O)CC1=CC(F)=CC=C1 MC105949 [0,1,0,0,0,1|0,0,0]=2 310 B14R1.161 NC(CCC1=C(O)C=CC=C1)C(=O)O MC443558 [0,1,0,0,0,1|1,0,1]=4 311 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O CS17941 [0,1,0,0,0,1|1,0,1]=4 312 B14R1.679 NC(CCc1ccc(O)cc1)C(=O)O MC439117 [0,1,0,0,0,1|1,0,1]=4 313 B14R1.756 C(N)(CO)C(=O)OCC1=CC=CC=C1 MC438162 [0,1,0,0,0,1|1,0,1]=4 314 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 MC430691 [0,1,0,0,0,1|0,0,1]=3 315 B14R1.756 COC(=O)C(N)CCc1ccccc1 MC439295 [0,1,0,0,0,1|1,0,1]=4 316 B14R1.756 NC(CO)C(=O)OCc1ccccc1 CS13835 [0,1,0,0,0,1|1,0,1]=4 317 B14R1.756 NC(CO)C(=O)OCc1ccccc1 MC438161 [0,1,0,0,0,1|1,0,1]=4 318 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 MC436817 [0,1,0,0,0,1|0,0,2]=4 319 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 MC438286 [0,2,0,0,0,0|1,0,1]=4 320 B14R1.3 COC1=CC=C(NC(=S)C(=O)O)C=C1 MC425542 [0,2,0,0,0,0|1,1,0]=4 321 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC438287 [0,2,0,0,0,0|1,0,1]=4 322 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC438288 [0,2,0,0,0,0|1,0,1]=4 323 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC439364 [0,2,0,0,0,0|1,0,1]=4 324 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 CS14056 [0,2,0,0,0,0|1,0,1]=4 325 B14R1.3 N#Cc1ccc(CC(N)C(=O)O)cc1 MC436870 [0,2,0,0,0,0|1,0,1]=4 326 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 MC438272 [0,2,0,0,0,0|1,0,1]=4 327 B14R1.134 COC(=O)C(N)Cc1ccc(Br)cc1 MC439351 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436858 [0,2,0,0,0,0|1,0,1]=4 329 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436859 [0,2,0,0,0,0|1,0,1]=4 330 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437014 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437015 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 CS14225 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438273 [0,2,0,0,0,0|1,0,1]=4 334 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438274 [0,2,0,0,0,0|1,0,1]=4 335 B14R1.536 CNC(CC1=CC=C(O)C=C1)C(=O)O MC435517 [0,2,0,0,0,0|1,0,1]=4 336 B14R1.536 CNC(Cc1ccc(O)cc1)C(=O)O MC437982 [0,2,0,0,0,0|1,0,1]=4 337 B14R1.536 CNC(Cc1ccc(O)cc1)C(=O)O MC437983 [0,2,0,0,0,0|1,0,1]=4 338 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O CS21667 [0,2,0,0,0,0|1,0,1]=4 339 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O CS21669 [0,2,0,0,0,0|1,0,1]=4 340 B14R1.686 NC(CC1=CC(I)=C(O)C=C1)C(=O)O MC437808 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.686 NC(Cc1ccc(F)c(F)c1)C(=O)O MC439341 [0,2,0,0,0,0|1,0,1]=4 342 B14R1.686 NC(Cc1ccc(O)c(Cl)c1)C(=O)O MC439088 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.686 NC(Cc1ccc(O)c(Cl)c1)C(=O)O MC439097 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.686 Nc1cc(CC(N)C(=O)O)ccc1O MC436191 [0,2,0,0,0,0|1,0,1]=4 345 B14R1.6049 Cc1ccc(CC(N)C(=O)O)c(C)c1 MC439344 [0,2,0,0,0,0|1,0,1]=4 346 B14R1.6049 Cc1ccc(CC(N)C(=O)O)c(C)c1 MC439345 [0,2,0,0,0,0|1,0,1]=4 347 B14R1.6049 NC(CC1=C(Cl)C=C(Cl)C=C1)C(=O)O CS13525 [0,2,0,0,0,0|1,0,1]=4 348 B14R1.6049 NC(Cc1ccc(Cl)cc1Cl)C(=O)O MC439280 [0,2,0,0,0,0|1,0,1]=4 349 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O CS16851 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.7626 CC(N)(Cc1ccc(F)cc1)C(=O)O MC437010 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.7626 CC(N)(Cc1ccc(F)cc1)C(=O)O MC437011 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [0,2,0,0,0,0|1,0,1]=4 353 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 CS19688 [0,2,0,0,0,0|0,0,2]=4 354 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103826 [0,2,0,0,0,0|0,0,2]=4 355 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103827 [0,2,0,0,0,0|0,0,2]=4 356 B14R1.135 COC(=O)C(N)Cc1cccc(F)c1 MC437013 [0,2,0,0,0,0|1,0,1]=4 357 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437933 [0,2,0,0,0,0|1,0,1]=4 358 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437934 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.1107 COC(=O)C(C)(N)Cc1ccccc1 MC437935 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.75 COC1=CC=CC(CC(N)C(=O)O)=C1 CS13718 [0,2,0,0,0,0|1,0,1]=4 361 B14R1.75 COC1=CC=CC(CC(N)C(=O)O)=C1 CS14166 [0,2,0,0,0,0|1,0,1]=4 362 B14R1.75 N#Cc1cccc(CC(N)C(=O)O)c1 MC439086 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.75 N#Cc1cccc(CC(N)C(=O)O)c1 MC439331 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.75 N#Cc1cccc(CC(N)C(=O)O)c1 MC439384 [0,2,0,0,0,0|1,0,1]=4 365 B14R1.4257 NC(Cc1cc(F)cc(F)c1)C(=O)O MC439343 [0,2,0,0,0,0|1,0,1]=4 366 B14R1.4474 NC(Cc1cc(Cl)ccc1Cl)C(=O)O MC439336 [0,2,0,0,0,0|1,0,1]=4 367 B14R1.3135 COC1=C(CC(N)C(=O)O)C=CC=C1 CS13888 [0,2,0,0,0,0|1,0,1]=4 368 B14R1.3135 N#Cc1ccccc1CC(N)C(=O)O MC439388 [0,2,0,0,0,0|1,0,1]=4 369 B14R1.5882 CC(N)(CC1=C(Br)C=CC=C1)C(=O)O MC445378 [0,2,0,0,0,0|1,0,1]=4 370 B14R1.5971 NC(Cc1c(Cl)cccc1Cl)C(=O)O MC439335 [0,2,0,0,0,0|1,0,1]=4 371 B14R1.5971 NC(Cc1c(Cl)cccc1Cl)C(=O)O MC439337 [0,2,0,0,0,0|1,0,1]=4 372 B14R1.5971 NC(Cc1c(F)cccc1F)C(=O)O MC436948 [0,2,0,0,0,0|1,0,1]=4 373 B14R1.980 N#CCC(CC1=CC=CC=C1)C(=O)O MC107435 [0,2,0,0,0,0|1,0,1]=4 374 B14R1.980 NCCC(CC1=CC=CC=C1)C(=O)O MC107436 [0,2,0,0,0,0|1,0,1]=4 375 B14R1.980 O=CNC(Cc1ccccc1)C(=O)O MC437645 [0,2,0,0,0,0|0,0,1]=3 376 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [1,0,0,1,0,0|1,0,1]=4 377 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [1,0,0,1,0,0|1,0,0]=3 378 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [1,0,0,1,0,0|1,0,1]=4 379 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [1,0,0,1,0,0|1,0,1]=4 380 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [1,0,0,1,0,0|1,0,1]=4 381 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [1,0,0,1,0,0|0,1,1]=4 382 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [1,0,0,1,0,0|0,1,1]=4 383 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [1,0,0,1,0,0|1,0,1]=4 384 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [1,0,0,1,0,0|2,0,0]=4 385 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|1,0,1]=4 386 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,1,0,1|1,0,1]=4 387 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,1,0,1|1,0,1]=4 388 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 MC42028 [0,0,0,1,0,1|1,0,1]=4 389 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 MC440514 [0,0,0,1,0,1|1,0,0]=3 390 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 CS21317 [0,0,0,1,0,1|0,0,2]=4 391 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [0,0,0,1,0,1|1,0,1]=4 392 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,0,0,1,0,1|1,0,1]=4 393 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [0,0,0,1,0,1|1,0,1]=4 394 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [0,0,0,1,0,1|1,0,1]=4 395 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [0,0,0,1,0,1|1,0,1]=4 396 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [0,0,0,1,0,1|1,0,1]=4 397 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS21462 [0,0,0,1,0,1|1,0,1]=4 398 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS10016 [0,0,0,1,0,1|1,0,1]=4 399 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS11441 [0,0,0,1,0,1|1,0,1]=4 400 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438185 [0,0,0,1,0,1|1,0,1]=4 401 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438186 [0,0,0,1,0,1|1,0,1]=4 402 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 MC106685 [0,0,0,1,0,1|1,0,1]=4 403 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,0,0,1,0,1|0,0,2]=4 404 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,0,0,1,0,1|0,0,2]=4 405 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,0,0,1,0,1|0,0,2]=4 406 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 MC111944 [0,1,0,1,0,0|1,0,1]=4 407 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [0,1,0,1,0,0|0,0,2]=4 408 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 MC41800 [0,1,0,1,0,0|0,1,1]=4 409 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [0,1,0,1,0,0|0,0,2]=4 410 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [0,1,0,1,0,0|1,0,1]=4 411 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,1,0,1,0,0|1,0,1]=4 412 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [0,1,0,1,0,0|0,0,2]=4 413 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 MC441038 [0,1,0,1,0,0|0,1,1]=4 414 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [0,1,0,1,0,0|0,0,2]=4 415 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 MC443455 [0,1,0,1,0,0|0,1,1]=4 416 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [0,1,0,1,0,0|0,0,2]=4 417 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [0,1,0,1,0,0|0,0,2]=4 418 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 MC41760 [0,1,0,1,0,0|0,1,1]=4 419 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [0,1,0,1,0,0|0,0,2]=4 420 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 MC441141 [0,1,0,1,0,0|0,1,1]=4 421 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [0,1,0,1,0,0|0,0,2]=4 422 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 MC41787 [0,1,0,1,0,0|0,1,1]=4 423 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [0,1,0,1,0,0|1,0,1]=4 424 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [0,1,0,1,0,0|1,0,1]=4 425 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [0,1,0,1,0,0|1,0,1]=4 426 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [0,1,0,1,0,0|1,0,1]=4 427 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,1,0,1,0,0|1,0,1]=4 428 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 MC104507 [0,1,0,1,0,0|1,1,0]=4 429 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 CS15439 [0,1,0,1,0,0|1,1,0]=4 430 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 MC41759 [0,1,0,1,0,0|2,0,0]=4 431 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 MC104505 [0,1,0,1,0,0|1,1,0]=4 432 B14R2.4529 O=C(O)C1CC2=CC=C(Br)C=C2C1 MC446705 [0,1,0,1,0,0|1,0,1]=4 433 B14R2.4529 O=C(O)C1CC2=CC=C(F)C=C2C1 MC446704 [0,1,0,1,0,0|1,0,1]=4 434 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 MC429622 [0,1,0,1,0,0|0,1,1]=4 435 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,1,0,1,0,0|1,0,1]=4 436 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 MC107164 [0,1,0,1,0,0|2,0,0]=4 437 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 MC106657 [0,1,0,1,0,0|1,0,1]=4 438 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [0,1,0,1,0,0|1,0,1]=4 439 B14R2.4476 O=C(O)C1CC1C2=CC(Br)=CC=C2 MC105687 [0,1,0,1,0,0|1,0,1]=4 440 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 MC441057 [0,1,0,1,0,0|0,1,1]=4 441 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 CS12511 [0,1,0,1,0,0|2,0,0]=4 442 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 MC441311 [0,1,0,1,0,0|0,0,2]=4 443 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 MC441142 [0,1,0,1,0,0|0,1,1]=4 444 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 MC431602 [0,1,0,1,0,0|0,0,2]=4 445 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 MC441316 [0,1,0,1,0,0|0,0,2]=4 446 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 MC441143 [0,1,0,1,0,0|0,1,1]=4 447 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 MC441315 [0,1,0,1,0,0|0,0,2]=4 448 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 MC41767 [0,1,0,1,0,0|0,1,1]=4 449 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 MC441317 [0,1,0,1,0,0|0,0,2]=4 450 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 MC441145 [0,1,0,1,0,0|0,1,1]=4 451 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,1,0,1,0,0|1,0,1]=4 452 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 MC441300 [0,1,0,1,0,0|0,0,2]=4 453 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 MC441298 [0,1,0,1,0,0|0,0,2]=4 454 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 CS16632 [0,1,0,1,0,0|0,1,1]=4 455 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 CS10798 [0,1,0,1,0,0|0,1,1]=4 456 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 MC441144 [0,1,0,1,0,0|0,1,1]=4 457 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 MC30342 [0,1,0,1,0,0|1,0,1]=4 458 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 CS12600 [0,1,0,1,0,0|1,0,1]=4 459 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 MC106623 [0,1,0,1,0,0|1,0,1]=4 460 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2Br)S1 MC104506 [0,1,0,1,0,0|1,1,0]=4 461 B14R2.7969 O=C(O)C1=NC2=C(S1)C(Br)=CC=C2 MC104508 [0,1,0,1,0,0|1,1,0]=4 462 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,1,0,1,0,0|0,0,2]=4 463 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [0,1,0,1,0,0|1,0,1]=4 464 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 MC433155 [0,1,0,1,0,0|0,1,1]=4 465 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 MC425304 [0,1,0,1,0,0|1,0,1]=4 466 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,0,0,0,1,0|2,0,0]=4 467 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,0,0,0,1,0|2,0,0]=4 468 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,0,0,0,1,0|1,0,1]=4 469 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,0,0,0,1,0|2,0,0]=4 470 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,0,0,0,1,0|1,0,1]=4 471 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,0,0,0,1,0|1,0,1]=4 472 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,0,0,0,1,0|1,0,1]=4 473 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [1,0,0,0,1,0|1,0,1]=4 474 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [1,0,0,0,1,0|1,0,1]=4 475 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [1,0,0,0,1,0|1,0,1]=4 476 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [1,0,0,0,1,0|1,0,1]=4 477 B10R1.66 O=C(O)\C=C\C1=COC=C1 MC425866 [1,0,0,0,1,0|1,0,1]=4 478 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,0,0,0,0,1|1,0,1]=4 479 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [1,0,0,0,0,1|2,0,0]=4 480 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [1,0,0,0,0,1|1,0,1]=4 481 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [1,0,0,0,0,1|0,0,1]=3 482 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [1,0,0,0,0,1|0,0,1]=3 483 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [1,0,0,0,0,1|1,0,1]=4 484 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [1,0,0,0,0,1|0,0,1]=3 485 B14R1.423 O=C(O)CNC(=O)Cc1ccccc1 MC438092 [0,0,0,0,0,2|0,0,0]=2 486 B14R1.818 O=C(O)CC(=O)OCC1=CC=NC=C1 MC110597 [0,0,0,0,0,2|1,0,0]=3 487 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O CS11537 [0,0,0,0,0,2|1,0,1]=4 488 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS14501 [0,0,0,0,0,2|1,0,1]=4 489 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS18577 [0,0,0,0,0,2|1,0,1]=4 490 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436898 [0,0,0,0,0,2|1,0,1]=4 491 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436899 [0,0,0,0,0,2|1,0,1]=4