0 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,0,0,0,0,0|0,0,0]=0 7 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,0,0,0,0,0|0,0,0]=0 8 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,0,0,0,0,0|0,0,1]=2 21 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,0,0,0,0,0|0,0,1]=2 22 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,0,0,0,0,0|0,0,1]=2 23 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,0,0,0,0|0,0,2]=3 32 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,0,0,0,0|0,0,2]=3 43 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,0,0,0,0,0|1,0,1]=3 47 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H69720 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A52242 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [0,1,0,0,0,0|0,0,0]=1 59 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52953 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 M52937 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52254 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O A68969 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O T67429 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O A37859 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O B67992 [0,1,0,0,0,0|0,0,0]=1 80 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O A61471 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O F49826 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.148 N[C@H](CC1=CC=CC(Br)=C1)C(=O)O A67546 [0,1,0,0,0,0|0,0,0]=1 83 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O A68296 [0,1,0,0,0,0|0,0,0]=1 84 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O A60702 [0,1,0,0,0,0|0,0,0]=1 85 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O P52123 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 A52962 [0,1,0,0,0,0|0,0,0]=1 88 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52954 [0,1,0,0,0,0|0,0,0]=1 89 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A61938 [0,1,0,0,0,0|0,0,0]=1 90 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O A49818 [0,1,0,0,0,0|0,0,0]=1 91 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O A52126 [0,1,0,0,0,0|0,0,0]=1 92 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O A49838 [0,1,0,0,0,0|0,0,0]=1 93 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O M37956 [0,1,0,0,0,0|0,0,0]=1 94 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A52956 [0,1,0,0,0,0|0,0,0]=1 95 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A54162 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D54779 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,0,0,1,0,0|1,0,1]=3 100 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,0,0,1,0,0|2,0,1]=4 101 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O H51786 [0,0,0,1,0,0|2,0,0]=3 102 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,0,0,1,0,0|1,0,0]=2 103 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 P51791 [0,0,0,1,0,0|2,0,0]=3 104 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,0,0,1,0,0|1,0,0]=2 105 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,0,0,1,0,0|1,0,0]=2 106 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,0,0,1,0,0|1,0,2]=4 107 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,0,0,1,0,0|2,0,1]=4 109 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,0,0,1,0,0|1,0,2]=4 110 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,0,0,1,0,0|1,0,2]=4 111 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,0,0,1,0,0|1,0,2]=4 112 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,0,0,1,0,0|1,0,2]=4 113 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,0,0,1,0,0|1,0,2]=4 114 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,0,0,1,0,0|1,0,1]=3 115 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,0,0,1,0,0|1,0,2]=4 116 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 K44881 [0,0,0,1,0,0|2,0,1]=4 117 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 K44882 [0,0,0,1,0,0|2,0,1]=4 118 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 D22647 [0,0,0,1,0,0|1,0,0]=2 119 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 K9534 [0,0,0,1,0,0|0,0,0]=1 120 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)O1 D9444 [0,0,0,1,0,0|1,0,0]=2 121 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [0,0,0,0,1,0|1,0,0]=2 122 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O A46422 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O A43540 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O H60641 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A46423 [0,0,0,0,1,0|1,0,0]=2 126 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O A43240 [0,0,0,0,1,0|2,0,0]=3 127 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [0,0,0,0,1,0|1,0,0]=2 128 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O A46420 [0,0,0,0,1,0|1,0,0]=2 129 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O A68561 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,0,0,0,1,0|1,0,1]=3 131 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,0,0,1,0|2,0,1]=4 132 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,0,0,0,1,0|2,0,1]=4 133 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,0,0,0,1,0|2,0,1]=4 134 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,0,0,0,1,0|2,0,1]=4 135 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,0,0,0,1,0|1,0,0]=2 136 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,0,0,0,1,0|1,0,1]=3 137 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,0,0,0,1,0|1,0,1]=3 138 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,0,0,0,1,0|1,0,0]=2 139 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,0,0,0,1,0|1,0,1]=3 140 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,0,0,0,1,0|1,0,1]=3 141 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,0,0,0,1,0|1,0,0]=2 142 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,0,0,0,1,0|1,0,0]=2 143 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,0,0,0,1,0|0,0,0]=1 144 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 A46932 [0,0,0,0,1,0|0,0,2]=3 145 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,0,0,0,1,0|0,0,0]=1 146 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,0,0,0,1,0|1,0,0]=2 147 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,0,0,0,1,0|1,0,0]=2 148 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [0,0,0,0,0,1|1,0,0]=2 149 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [0,0,0,0,0,1|1,0,0]=2 150 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [0,0,0,0,0,1|1,0,0]=2 151 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,0,0,0,0,1|0,0,0]=1 152 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,0,0,0,0,1|0,0,0]=1 153 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,0,0,0,0,1|1,0,1]=3 154 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [0,0,0,0,0,1|1,0,0]=2 155 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [0,0,0,0,0,1|1,0,0]=2 156 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [0,0,0,0,0,1|1,0,0]=2 157 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 162 B10R1.17 OCCCC1=CC=NC=C1 P46905 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.17 OCCCC1=NC=CC=C1 P62447 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.17 OCCCC1=NC=CC=C1 P7829 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [2,0,0,0,0,0|0,0,1]=3 168 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [2,0,0,0,0,0|1,0,1]=4 169 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [2,0,0,0,0,0|1,0,1]=4 170 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [1,1,0,0,0,0|0,0,1]=3 171 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [1,1,0,0,0,0|0,0,1]=3 172 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [1,1,0,0,0,0|0,0,1]=3 173 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [1,1,0,0,0,0|0,0,1]=3 174 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [1,1,0,0,0,0|0,0,1]=3 175 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [1,1,0,0,0,0|0,0,1]=3 177 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [1,1,0,0,0,0|0,0,2]=4 178 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [1,1,0,0,0,0|0,0,2]=4 179 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [1,1,0,0,0,0|0,0,2]=4 184 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,1,0,0,0,0|0,0,0]=2 188 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|0,0,0]=2 192 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,1,0,0,0,0|0,0,0]=2 204 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,1,0,0,0,0|0,0,0]=2 208 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,1,0,0,0,0|0,0,0]=2 211 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,1,0,0,0,0|0,0,0]=2 212 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [1,1,0,0,0,0|0,0,2]=4 214 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [1,1,0,0,0,0|0,0,2]=4 216 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [1,1,0,0,0,0|1,0,0]=3 218 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,1,0,0,0,0|0,0,0]=2 219 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,1,0,0,0,0|0,0,0]=2 220 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,1,0,0,0,0|0,0,0]=2 221 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,1,0,0,0,0|0,0,0]=2 222 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [1,1,0,0,0,0|0,0,2]=4 225 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [1,1,0,0,0,0|0,0,2]=4 226 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [1,1,0,0,0,0|0,0,2]=4 227 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [1,1,0,0,0,0|0,0,2]=4 228 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|0,0,0]=2 229 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [1,1,0,0,0,0|0,0,2]=4 231 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [1,1,0,0,0,0|0,0,2]=4 232 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [1,1,0,0,0,0|0,0,2]=4 233 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|0,0,0]=2 235 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|0,0,0]=2 236 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|0,0,0]=2 237 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O A46138 [0,1,0,0,1,0|1,0,0]=3 241 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O A46137 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,1,0,0,1,0|0,0,0]=2 243 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,1,0,0,1,0|1,0,0]=3 246 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,1,0,0,1,0|0,0,0]=2 247 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,1,0,0,1,0|0,0,0]=2 248 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,1,0,0,1,0|0,0,0]=2 249 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,1,0,0,1,0|0,0,0]=2 250 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,1,0,0,1,0|0,0,0]=2 251 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,1,0,0,1,0|0,0,0]=2 252 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,1,0,0,1,0|0,0,0]=2 253 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,1,0,0,1,0|0,0,0]=2 254 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,1,0,0,1,0|0,0,0]=2 255 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [0,1,0,0,1,0|1,0,1]=4 256 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [0,1,0,0,1,0|1,0,1]=4 257 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [0,1,0,0,1,0|1,0,1]=4 258 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,1,0,0,1,0|1,0,0]=3 259 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,1,0,0,1,0|1,0,0]=3 261 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,1,0,0,1,0|1,0,0]=3 263 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,1,0,0,1,0|1,0,0]=3 264 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,1,0,0,1,0|1,0,0]=3 265 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,1,0,0,1,0|1,0,1]=4 266 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,1,0,0,1,0|1,0,0]=3 267 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,1,0,0,1,0|0,0,0]=2 268 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 A39505 [0,1,0,0,1,0|0,0,0]=2 269 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,1,0,0,1,0|1,0,0]=3 270 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 B39471 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,1,0,0,1,0|1,0,0]=3 272 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,1,0,0,1,0|1,0,0]=3 273 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,1,0,0,1,0|1,0,0]=3 274 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 A46679 [0,1,0,0,1,0|0,0,0]=2 275 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 A48925 [0,1,0,0,1,0|0,0,0]=2 276 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48954 [0,1,0,0,1,0|0,0,0]=2 277 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48962 [0,1,0,0,1,0|0,0,0]=2 278 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 A48960 [0,1,0,0,1,0|0,0,0]=2 279 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 B47799 [0,1,0,0,1,0|1,0,1]=4 280 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,1,0,0,1,0|1,0,1]=4 281 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [0,1,0,0,1,0|1,0,0]=3 282 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [0,1,0,0,1,0|1,0,0]=3 283 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,1,0,0,1,0|1,0,0]=3 284 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 M39605 [0,1,0,0,1,0|1,0,0]=3 285 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 A50055 [0,1,0,0,1,0|0,0,0]=2 286 B12R1.253 O=C(O)C(F)(F)C1=NC=CC=C1 D10426 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 P52669 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,1,0,0,1,0|1,0,0]=3 290 B12R1.478 N#C[C@@H](C(N)=O)C1=CC=CC=C1 C51349 [0,1,0,0,1,0|1,0,1]=4 291 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 A54871 [0,1,0,0,0,1|0,0,0]=2 292 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O A62968 [0,1,0,0,0,1|0,0,0]=2 293 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A52987 [0,1,0,0,0,1|0,0,0]=2 294 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 H54874 [0,1,0,0,0,1|2,0,0]=4 295 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,1,0,0,0,1|1,0,1]=4 296 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52761 [0,1,0,0,0,1|0,0,0]=2 297 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52762 [0,1,0,0,0,1|0,0,0]=2 298 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O A54115 [0,1,0,0,0,1|0,0,0]=2 299 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 M67097 [0,1,0,0,0,1|1,0,0]=3 300 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 B52984 [0,1,0,0,0,1|1,0,0]=3 301 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A54170 [0,2,0,0,0,0|0,0,0]=2 302 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69607 [0,2,0,0,0,0|0,0,0]=2 303 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69612 [0,2,0,0,0,0|0,0,0]=2 304 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 M52859 [0,2,0,0,0,0|2,0,0]=4 305 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 M67781 [0,2,0,0,0,0|0,0,0]=2 306 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 M54134 [0,2,0,0,0,0|0,0,0]=2 307 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M54169 [0,2,0,0,0,0|0,0,0]=2 308 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M67908 [0,2,0,0,0,0|0,0,0]=2 309 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 M54181 [0,2,0,0,0,0|1,0,0]=3 310 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 M49988 [0,2,0,0,0,0|1,0,0]=3 311 B14R1.686 NC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 A52140 [0,2,0,0,0,0|1,0,0]=3 312 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O A69186 [0,2,0,0,0,0|0,0,0]=2 313 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O A51812 [0,2,0,0,0,0|0,0,0]=2 314 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O D60689 [0,2,0,0,0,0|0,0,0]=2 315 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O A60896 [0,2,0,0,0,0|0,0,0]=2 316 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O A51810 [0,2,0,0,0,0|0,0,0]=2 317 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O D51795 [0,2,0,0,0,0|0,0,0]=2 318 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O A51809 [0,2,0,0,0,0|0,0,0]=2 319 B14R1.7626 CC(C)(OC1=CC=C(N)C=C1)C(=O)O A60602 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O M64875 [0,2,0,0,0,0|0,0,0]=2 321 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [0,2,0,0,0,0|0,0,0]=2 322 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 M11943 [0,2,0,0,0,0|1,0,0]=3 323 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 M11942 [0,2,0,0,0,0|1,0,0]=3 324 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 M32208 [0,2,0,0,0,0|0,0,0]=2 325 B14R1.135 COC(=O)[C@@H](O)CC1=CC(O)=CC=C1 M52860 [0,2,0,0,0,0|1,0,0]=3 326 B14R1.1107 COC(=O)[C@@](C)(N)CC1=CC=CC=C1 M55508 [0,2,0,0,0,0|0,0,0]=2 327 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 M52977 [0,2,0,0,0,0|0,0,0]=2 328 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52986 [0,2,0,0,0,0|0,0,0]=2 329 B14R1.75 N#CC1=CC=CC(C[C@@H](N)C(=O)O)=C1 A63671 [0,2,0,0,0,0|0,0,0]=2 330 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O A51801 [0,2,0,0,0,0|0,0,0]=2 331 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O A51802 [0,2,0,0,0,0|0,0,0]=2 332 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(=O)O D51804 [0,2,0,0,0,0|0,0,0]=2 333 B14R1.4474 N[C@@H](CC1=C(F)C=CC(F)=C1)C(=O)O A51811 [0,2,0,0,0,0|0,0,0]=2 334 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52981 [0,2,0,0,0,0|0,0,0]=2 335 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [1,0,0,1,0,0|1,0,0]=3 336 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [1,0,0,1,0,0|1,0,1]=4 337 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [1,0,0,1,0,0|1,0,1]=4 338 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [1,0,0,1,0,0|1,0,1]=4 339 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [1,0,0,1,0,0|1,0,1]=4 340 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [1,0,0,1,0,0|1,0,1]=4 341 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,0,0,1,0,0|0,0,2]=4 342 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [1,0,0,1,0,0|1,0,1]=4 343 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [1,0,0,1,0,0|0,0,1]=3 344 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [1,0,0,1,0,0|1,0,1]=4 345 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|1,0,0]=3 346 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,1|1,0,0]=3 347 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,1|1,0,0]=3 348 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,0,0,1,0,1|1,0,0]=3 349 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 I38816 [0,0,0,1,0,1|0,0,2]=4 350 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 B37433 [0,0,0,1,0,1|1,0,1]=4 351 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 B13430 [0,0,0,1,0,1|2,0,0]=4 352 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O A52692 [0,0,0,1,0,1|1,0,0]=3 353 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br B52396 [0,0,0,1,0,1|2,0,0]=4 354 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P24775 [0,0,0,1,0,1|1,0,0]=3 355 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 P64908 [0,0,0,1,0,1|1,0,0]=3 356 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T54113 [0,0,0,1,0,1|1,0,0]=3 357 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T67672 [0,0,0,1,0,1|1,0,0]=3 358 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [0,0,0,1,0,1|0,0,0]=2 359 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,0,0,1,0,1|1,0,0]=3 360 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 T64049 [0,0,0,1,0,1|1,0,0]=3 361 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,0,0,1,0,1|1,0,0]=3 362 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T52580 [0,0,0,1,0,1|1,0,0]=3 363 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [0,0,0,1,0,1|1,0,0]=3 364 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=N2)C1 T52577 [0,0,0,1,0,1|2,0,0]=4 365 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 B38910 [0,1,0,1,0,0|1,0,0]=3 366 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 C53997 [0,1,0,1,0,0|1,0,0]=3 367 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 F54003 [0,1,0,1,0,0|1,0,0]=3 368 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 F61869 [0,1,0,1,0,0|1,0,0]=3 369 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(O)C=C2 H29928 [0,1,0,1,0,0|1,0,0]=3 370 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [0,1,0,1,0,0|0,0,2]=4 371 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [0,1,0,1,0,0|0,0,2]=4 372 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B13084 [0,1,0,1,0,0|0,0,2]=4 373 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F4742 [0,1,0,1,0,0|0,0,2]=4 374 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [0,1,0,1,0,0|0,0,2]=4 375 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [0,1,0,1,0,0|0,0,2]=4 376 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [0,1,0,1,0,0|0,0,2]=4 377 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [0,1,0,1,0,0|0,0,2]=4 378 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 B5840 [0,1,0,1,0,0|1,0,1]=4 379 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [0,1,0,1,0,0|0,0,2]=4 380 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [0,1,0,1,0,0|1,0,1]=4 381 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 M66075 [0,1,0,1,0,0|0,0,0]=2 382 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 C53996 [0,1,0,1,0,0|1,0,0]=3 383 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 F61658 [0,1,0,1,0,0|1,0,0]=3 384 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 M21986 [0,1,0,1,0,0|0,0,2]=4 385 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 M21988 [0,1,0,1,0,0|0,0,2]=4 386 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 B37796 [0,1,0,1,0,0|0,0,2]=4 387 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F23500 [0,1,0,1,0,0|0,0,2]=4 388 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H51211 [0,1,0,1,0,0|0,0,2]=4 389 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 B50868 [0,1,0,1,0,0|0,0,2]=4 390 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 C50879 [0,1,0,1,0,0|0,0,2]=4 391 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [0,1,0,1,0,0|0,0,2]=4 392 B14R2.7969 O=C(O)[C@H]1CC2=C(C1)C(O)=CC=C2 H52463 [0,1,0,1,0,0|1,0,0]=3 393 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [0,1,0,1,0,0|0,0,2]=4 394 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 M20601 [0,1,0,1,0,0|0,0,2]=4 395 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 B50864 [0,1,0,1,0,0|0,0,2]=4 396 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 B53989 [0,1,0,1,0,0|1,0,0]=3 397 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 C17014 [0,1,0,1,0,0|1,0,0]=3 398 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(Br)C=CC=C2 B61659 [0,1,0,1,0,0|1,0,0]=3 399 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(F)C=CC=C2 F61868 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,0,0,0,1,0|1,0,1]=4 401 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,0,0,0,1,0|2,0,0]=4 402 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,0,0,0,1,0|1,0,1]=4 403 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,0,0,0,1,0|0,0,1]=3 404 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,0,0,0,1,0|0,0,1]=3 405 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,0,0,0,1,0|0,0,1]=3 406 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,0,0,0,1,0|1,0,1]=4 407 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,0,0,0,1,0|1,0,1]=4 408 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,0,0,0,1,0|1,0,1]=4 409 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [1,0,0,0,1,0|1,0,0]=3 410 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [1,0,0,0,1,0|1,0,0]=3 411 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [1,0,0,0,1,0|1,0,0]=3 412 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [1,0,0,0,1,0|2,0,0]=4 413 B10R1.66 O=C(O)CCN1C=CC=N1 P67578 [1,0,0,0,1,0|2,0,0]=4 414 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 P46407 [0,0,0,0,2,0|2,0,0]=4 415 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,0,0,0,2,0|1,0,0]=3 416 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 A43153 [0,0,0,0,2,0|1,0,0]=3 417 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 A43158 [0,0,0,0,2,0|1,0,0]=3 418 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,1|1,0,0]=3 419 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,0,0,0,0,1|1,0,1]=4 420 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [1,0,0,0,0,1|1,0,0]=3 421 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,0,0,0,0,1|0,0,0]=2 422 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,0,0,0,0,1|0,0,0]=2 423 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 P38680 [0,0,0,0,0,2|1,0,1]=4 424 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54864 [0,0,0,0,0,2|0,0,0]=2 425 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54867 [0,0,0,0,0,2|0,0,0]=2 426 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O A68012 [0,0,0,0,0,2|0,0,0]=2 427 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O B52975 [0,0,0,0,0,2|0,0,0]=2 428 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B68301 [0,0,0,0,0,2|0,0,0]=2