0 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 M52253 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 F62044 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49796 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49804 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A49819 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A61063 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 A49836 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50100 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 A52955 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 A36931 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 A49835 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(F)=C1 A49840 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O P52123 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 D61048 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A52969 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 A52963 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 A49834 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 A49821 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 M62402 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,0,0,1,0,0|2,0,1]=4 56 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 P37550 [0,0,0,1,0,0|1,0,1]=3 57 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P51871 [0,0,0,1,0,0|2,1,0]=4 61 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P16573 [0,0,0,1,0,0|2,1,0]=4 62 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 D54369 [0,0,0,1,0,0|2,0,1]=4 63 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M51186 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 D52275 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 D54824 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,0,0,1,0,0|2,0,1]=4 67 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,0,0,1,0,0|1,0,1]=3 68 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 P51791 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,0,0,1,0,0|2,0,0]=3 73 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,0,0,0,1,0|1,0,2]=4 74 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,0,0,1,0|1,0,1]=3 75 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,0,0,0,1,0|2,0,1]=4 76 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,0,0,0,1,0|2,0,1]=4 77 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,0,0,0,1,0|2,0,1]=4 78 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,0,0,0,1,0|1,0,0]=2 79 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,0,0,0,1,0|1,0,2]=4 80 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,0,0,0,1,0|1,0,2]=4 81 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,0,0,0,1,0|1,0,0]=2 82 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,0,0,0,1,0|1,0,2]=4 83 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,0,0,0,1,0|1,0,2]=4 84 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,0,0,0,1,0|2,0,0]=3 85 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,0,0,0,1,0|2,0,0]=3 86 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,0,0,0,1,0|2,0,0]=3 87 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,0,0,0,1,0|2,0,0]=3 90 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 P52966 [0,0,0,0,0,1|2,0,0]=3 91 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 P52967 [0,0,0,0,0,1|2,0,0]=3 92 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 A54160 [0,0,0,0,0,1|3,0,0]=4 93 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [2,0,0,0,0,0|0,0,2]=4 95 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [2,0,0,0,0,0|1,0,0]=3 97 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|0,0,1]=3 105 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,1]=4 106 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|0,0,1]=3 107 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|1,0,1]=4 108 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 M54755 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [1,1,0,0,0,0|0,0,1]=3 119 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,1,0,0,0,0|0,0,2]=4 124 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [1,1,0,0,0,0|0,0,0]=2 125 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [1,1,0,0,0,0|0,0,0]=2 128 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,1,0,0,0,0|0,0,0]=2 129 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,1,0,0,1,0|1,0,0]=3 152 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,1,0,0,1,0|2,0,0]=4 158 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,1,0,0,1,0|2,0,0]=4 166 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,1,0,0,1,0|1,0,0]=3 172 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 A39505 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 B39471 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,1,0,0,1,0|1,0,0]=3 179 B12R1.225 C[C@H](C1=CC=CC(O)=C1)N(C)C D53145 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 A46679 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 A48925 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48954 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48962 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 A48960 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 M39605 [0,1,0,0,1,0|1,0,0]=3 189 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 A50055 [0,1,0,0,1,0|1,0,0]=3 190 B12R1.478 CC(=O)[C@H](C#N)C1=NC=CC=C1 X51359 [0,1,0,0,1,0|1,0,1]=4 191 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 P52669 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.478 N#C[C@@H](C(N)=O)C1=CC=CC=C1 C51349 [0,1,0,0,1,0|1,0,1]=4 195 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 B54022 [0,1,0,0,0,1|1,0,1]=4 196 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 H54874 [0,1,0,0,0,1|1,0,0]=3 197 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 M52758 [0,2,0,0,0,0|2,0,0]=4 198 B14R1.11 COC(=O)C[C@@H](N)C1=CC(O)=CC=C1 M54173 [0,2,0,0,0,0|2,0,0]=4 199 B14R1.11 COC(=O)C[C@@H](N)C1=CC=CC(Br)=C1 M52757 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.29 CCOC(=O)C=C(C)C1=CC=CC=C1 E55917 [0,2,0,0,0,0|1,0,1]=4 201 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 E55507 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 E54794 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 M11943 [0,2,0,0,0,0|2,0,0]=4 204 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 M11942 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 A52765 [0,2,0,0,0,0|2,0,0]=4 206 B14R1.6455 CC(=O)O[C@@H](C(=O)O)C1=CC=CC=C1 A69123 [0,2,0,0,0,0|0,0,1]=3 207 B14R1.6455 CC(=O)O[C@H](C(=O)Cl)C1=CC=CC=C1 C66104 [0,2,0,0,0,0|0,0,1]=3 208 B14R1.6455 CC(=O)O[C@H](C(=O)O)C1=CC=CC=C1 A64942 [0,2,0,0,0,0|0,0,1]=3 209 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|1,0,1]=4 210 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|1,0,1]=4 211 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|0,0,1]=3 213 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|1,0,0]=3 219 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [1,0,0,1,0,0|1,0,1]=4 220 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [1,0,0,1,0,0|1,0,1]=4 221 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [1,0,0,1,0,0|1,0,0]=3 226 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [1,0,0,1,0,0|1,0,0]=3 227 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [1,0,0,1,0,0|0,0,0]=2 230 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,0,0,1,1,0|1,0,1]=4 233 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,0,0,1,1,0|2,0,0]=4 234 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [0,0,0,1,1,0|2,0,0]=4 235 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,0,0,1,1,0|2,0,0]=4 236 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 M18676 [0,0,0,1,1,0|2,0,0]=4 237 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,0,0,1,1,0|0,0,0]=2 238 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 P39676 [0,0,0,1,0,1|1,0,0]=3 239 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P54629 [0,0,0,1,0,1|2,0,0]=4 240 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [0,0,0,1,0,1|1,0,0]=3 241 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [0,0,0,1,0,1|1,0,0]=3 242 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 P52455 [0,0,0,1,0,1|1,0,0]=3 243 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P24775 [0,0,0,1,0,1|2,0,0]=4 244 B14R2.25733 CC(=O)C1=CN(C)C2=C1C=CC=C2 A54401 [0,0,0,1,0,1|2,0,0]=4 245 B14R2.25733 CC(=O)C1=NN(C)C2=C1C=CC=C2 M9335 [0,0,0,1,0,1|2,0,0]=4 246 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 B6949 [0,0,0,1,0,1|2,0,0]=4 247 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,1|2,0,0]=4 248 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,1|2,0,0]=4 249 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,0,0,1,0,1|2,0,0]=4 250 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 P52557 [0,1,0,1,0,0|1,0,0]=3 251 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 B52394 [0,1,0,1,0,0|1,0,0]=3 252 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 H52567 [0,1,0,1,0,0|1,0,0]=3 253 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 C52398 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 F52400 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 B61250 [0,1,0,1,0,0|1,0,0]=3 256 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 B38910 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 C53997 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 F54003 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 F61869 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(O)C=C2 H29928 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 B5360 [0,1,0,1,0,0|2,0,0]=4 262 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 C53996 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 F61658 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 D60958 [0,1,0,1,0,0|1,0,0]=3 265 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 F37688 [0,1,0,1,0,0|1,0,0]=3 266 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 B53989 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 C17014 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(Br)C=CC=C2 B61659 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(F)C=CC=C2 F61868 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,0,0,0,1,0|1,0,0]=3 271 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,0,0,1,0|1,0,0]=3 272 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,0,0,1,0|1,0,0]=3 273 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,0,0,0,1,0|2,0,0]=4 274 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,0,0,1,0|1,0,1]=4 275 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,0,0,0,1,0|2,0,0]=4 276 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,0,0,1,0|1,0,0]=3 277 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,0,0,0,1,0|2,0,0]=4 278 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,0,0,1,0|1,0,0]=3 279 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,0,0,0,1,0|2,0,0]=4 280 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,0,0,0,1,0|2,0,0]=4 281 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,0,0,0,1,0|2,0,0]=4 282 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,0,0,0,1,0|2,0,0]=4 283 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,0,0,0,1,0|1,1,0]=4 284 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [1,0,0,0,1,0|1,0,0]=3 285 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [1,0,0,0,1,0|1,1,0]=4 286 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 P46407 [0,0,0,0,2,0|2,0,0]=4 287 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,1|0,0,0]=2 288 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,0,0,0,0,1|0,0,2]=4 289 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,0,0,0,0,1|2,0,0]=4 290 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,0,0,0,0,1|1,0,0]=3