0 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,0,0,0,0|0,0,0]=0 18 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,0,0,0,0,0|1,0,3]=4 21 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,0,0,0,0,0|1,0,3]=4 22 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,0,0,0,0,0|0,0,3]=4 27 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,1,0,0,0,0|0,0,2]=3 32 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [0,1,0,0,0,0|0,0,2]=3 36 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,1,0,0,0,0|0,0,0]=1 37 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,1,0,0,0,0|0,0,0]=1 38 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,1,0,0,0,0|0,0,2]=3 41 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,1,0,0,0,0|0,0,2]=3 42 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,1,0,0,0,0|0,0,2]=3 43 B12R1.21 O=[N+]([O-])C=CC1=CC=C(O)C=C1 N48495 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Br)C=C1 B68926 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.21 OB(O)\C=C\C1=CC=C(Cl)C=C1 C2298 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 F3384 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,1,0,0,0,0|0,0,2]=3 50 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,1,0,0,0,0|0,0,2]=3 51 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,1,0,0,0,0|1,0,2]=4 56 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,1,0,0,0,0|0,0,1]=2 59 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,0,0|1,0,2]=4 60 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,1,0,0,0,0|0,0,2]=3 65 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,1,0,0,0,0|0,0,2]=3 66 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,1,0,0,0,0|1,0,2]=4 70 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,1,0,0,0,0|1,0,2]=4 71 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,1,0,0,0,0|1,0,2]=4 72 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,1,0,0,0,0|1,0,2]=4 73 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,1,0,0,0,0|0,0,2]=3 74 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,0,0|0,0,2]=3 75 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,0,0|0,0,2]=3 76 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,1,0,0,0,0|1,0,1]=3 82 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,1,0,0,0,0|0,0,2]=3 83 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,1,0,0,0,0|0,0,2]=3 86 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,1,0,0,0,0|0,0,2]=3 87 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,1,0,0,0,0|0,0,2]=3 88 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,1,0,0,0,0|1,0,2]=4 89 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,1,0,0,0,0|0,0,2]=3 90 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,1,0,0,0,0|0,0,2]=3 91 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,1,0,0,0,0|0,0,2]=3 92 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,1,0,0,0,0|0,0,2]=3 93 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,1,0,0,0,0|0,0,2]=3 96 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,1,0,0,0,0|0,0,2]=3 99 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,1,0,0,0,0|0,0,2]=3 100 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,1,0,0,0,0|0,0,2]=3 101 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,1,0,0,0,0|1,0,1]=3 103 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,1,0,0,0,0|0,0,0]=1 105 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,1,0,0,0,0|0,0,0]=1 106 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.125 O=[N+]([O-])C=CC1=C(Cl)C=CC=C1 C47994 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 C47995 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 F61821 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,1,0,0,0,0|0,0,2]=3 111 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,1,0,0,0,0|0,0,0]=1 113 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,1,0,0,0,0|0,0,0]=1 115 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,1,0,0,0,0|0,0,2]=3 116 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,1,0,0,0,0|0,0,2]=3 117 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,1,0,0,0,0|0,0,2]=3 118 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,1,0,0,0,0|0,0,2]=3 119 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.226 O=[N+]([O-])C=CC1=CC=CC(F)=C1 F47997 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 F62637 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.891 O=S(=O)(Cl)\C=C\C1=CC=CC=C1 P48606 [0,1,0,0,0,0|1,0,1]=3 124 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,1,0,0|1,0,2]=4 125 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 B4779 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 B3878 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 B4922 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 B23905 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 B47544 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 B47545 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 B47549 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 C50851 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.24 ClC1=CC2=CC=NC=C2C=C1 C9357 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 C9358 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 C50852 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 C36711 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 C19911 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 C13232 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 C5441 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 N11169 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 C47553 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.24 FC1=CC2=CC=CN=C2C=C1 F50853 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.24 FC1=CC2=CN=CC=C2C=C1 F9904 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.24 IC1=CC2=CC=CN=C2C=C1 K18700 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q51336 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q52219 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.24 NC1=CC=C2C=CN=CC2=C1 A3873 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.24 NC1=CC=C2C=NC=CC2=C1 A3872 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.24 NC1=CC=C2N=CC=CC2=C1 A67851 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [0,0,0,1,0,0|2,0,0]=3 165 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [0,0,0,1,0,0|2,0,0]=3 166 B12R2.24 O=C1C=CC2=NC=CN=C2N1 P44867 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,1,0,0|2,0,1]=4 169 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,0,0|1,0,2]=4 170 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,1,0,0|2,0,1]=4 171 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,1,0,0|1,0,1]=3 172 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,1,0,0|2,0,1]=4 173 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [0,0,0,1,0,0|2,0,0]=3 174 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [0,0,0,1,0,0|2,0,0]=3 175 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [0,0,0,1,0,0|2,0,0]=3 176 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [0,0,0,1,0,0|2,0,0]=3 177 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [0,0,0,1,0,0|2,0,0]=3 178 B12R2.24 OC1=CC2=NC=CN=C2C=C1 Q38886 [0,0,0,1,0,0|3,0,0]=4 179 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [0,0,0,1,0,0|2,0,0]=3 180 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 B62427 [0,0,0,1,0,0|1,0,1]=3 181 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,1,0|2,0,1]=4 182 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,1,0|2,0,1]=4 183 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,1,0|2,0,0]=3 184 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,1,0|3,0,0]=4 185 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,1,0|2,0,0]=3 186 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,0,0,1,0|2,0,1]=4 187 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,0,0,0,1,0|3,0,0]=4 188 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,1,0|1,0,1]=3 189 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,1,0|2,0,1]=4 190 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,1,0|2,0,0]=3 191 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,1,0|1,0,1]=3 192 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,1,0|1,0,1]=3 193 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,0,0,0,1,0|2,0,1]=4 194 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,0,0,0,1,0|2,0,1]=4 195 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,1,0|1,0,1]=3 196 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,1,0|1,0,1]=3 197 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,1,0|2,0,1]=4 198 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,1,0|2,0,1]=4 199 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,1,0|2,0,1]=4 200 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,1,0|2,0,1]=4 201 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,0,0,0,1,0|2,1,0]=4 202 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,0,0,1,0|1,0,2]=4 203 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,0,0,1,0|1,0,2]=4 204 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,1,0|1,0,2]=4 205 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [0,0,0,0,1,0|1,0,0]=2 206 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [0,0,0,0,1,0|1,0,0]=2 207 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [0,0,0,0,1,0|1,0,0]=2 208 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [0,0,0,0,1,0|1,0,0]=2 209 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 N4996 [0,0,0,0,1,0|2,0,1]=4 210 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 N7715 [0,0,0,0,1,0|2,0,1]=4 211 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,0,0,0,1|1,0,2]=4 212 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,0,0,0,0,1|1,0,2]=4 213 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,0,0,0,0,1|0,0,2]=3 214 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,0,0,0,0,1|0,0,2]=3 215 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|0,0,1]=3 216 B9R1.8 O=COC1=CC=CC=C1 P45508 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|1,0,1]=4 219 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [2,0,0,0,0,0|1,0,0]=3 220 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 T52412 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.1 O=CC=CC1=CC=C(F)C=C1 F51323 [1,1,0,0,0,0|0,0,0]=2 222 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [1,1,0,0,0,0|0,0,2]=4 223 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,1,0,0,0,0|0,0,2]=4 224 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 B51314 [1,1,0,0,0,0|0,0,0]=2 225 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C51321 [1,1,0,0,0,0|0,0,0]=2 226 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [1,1,0,0,0,0|0,0,2]=4 229 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 B51313 [1,1,0,0,0,0|0,0,0]=2 230 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 C51317 [1,1,0,0,0,0|0,0,0]=2 231 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,1,0,0,0,0|0,0,2]=4 232 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,1,0,0,0,0|0,0,2]=4 233 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,0,0,1,0|1,0,1]=4 236 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,0,0,1,0|1,0,1]=4 237 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,0,0,1,0|1,0,1]=4 238 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,1,0,0,1,0|0,0,1]=3 241 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,1,0,0,1,0|1,0,1]=4 242 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,1,0,0,1,0|1,0,1]=4 243 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,1,0,0,1,0|1,0,1]=4 244 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,1,0,0,1,0|0,0,1]=3 246 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,1,0,0,1,0|0,0,1]=3 248 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,1,0,0,1,0|0,0,1]=3 249 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,1,0,0,1,0|0,0,1]=3 250 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,1,0,0,1,0|1,0,1]=4 251 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,1,0,0,1,0|1,0,1]=4 252 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,1,0,0,1,0|1,0,1]=4 253 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,1,0,0,1,0|1,0,1]=4 254 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,1,0,0,1,0|1,0,1]=4 255 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,1,0,0,1,0|0,0,0]=2 256 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,1,0|1,0,0]=3 257 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,0,0,1,0|0,0,1]=3 258 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,0,0,1,0|0,0,1]=3 259 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,0,0,1,0|1,0,1]=4 260 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,0,0,1,0|1,0,1]=4 261 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,0,0,1,0|0,0,1]=3 262 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,0,0,1,0|0,0,1]=3 263 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,0,0,1,0|0,0,1]=3 264 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,0,0,1,0|0,0,1]=3 265 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,0,0,1,0|1,0,1]=4 266 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,0,0,1,0|1,0,1]=4 267 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,0,0,1,0|1,0,1]=4 268 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,1,0,0,1,0|0,0,1]=3 270 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,1,0,0,1,0|1,0,1]=4 271 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,1,0,0,1,0|1,0,1]=4 272 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,1,0,0,1,0|0,0,1]=3 273 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,1,0,0,1,0|1,0,1]=4 274 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,1,0,0,1,0|0,0,1]=3 275 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,1,0,0,1,0|0,0,1]=3 276 B11R1.86 O=C(O)CC1=CC=CN=C1Cl C10465 [0,1,0,0,1,0|1,0,1]=4 277 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,1,0,0,1,0|1,0,1]=4 278 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,0,0,1,0|1,0,1]=4 279 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,0,0,1,0|1,0,1]=4 280 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,0,0,1,0|1,0,1]=4 281 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,1,0,0,1,0|2,0,0]=4 283 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,1,0,0,1,0|0,0,1]=3 285 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,1,0,0,1,0|1,0,1]=4 286 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,1,0,0,1,0|1,0,1]=4 287 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 B38302 [0,1,0,0,1,0|1,0,1]=4 288 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 C62039 [0,1,0,0,1,0|1,0,1]=4 289 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 F8162 [0,1,0,0,1,0|1,0,1]=4 290 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,1,0,0,1,0|0,0,1]=3 291 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 B45345 [0,1,0,0,1,0|1,0,1]=4 292 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,1,0,0,1,0|0,0,1]=3 293 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 C38947 [0,1,0,0,1,0|1,0,1]=4 294 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,1,0,0,1,0|0,0,1]=3 295 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 F15877 [0,1,0,0,1,0|1,0,1]=4 296 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,1,0,0,1,0|0,0,1]=3 297 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 B45344 [0,1,0,0,1,0|1,0,1]=4 298 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C45371 [0,1,0,0,1,0|1,0,1]=4 299 B11R1.75 CC1=CC=C(\C=C\C(=O)O)S1 M61065 [0,1,0,0,1,0|1,0,0]=3 300 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)S1 B62002 [0,1,0,0,1,0|1,0,0]=3 301 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 P52966 [0,1,0,0,0,1|0,0,2]=4 302 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 P52967 [0,1,0,0,0,1|0,0,2]=4 303 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 A54160 [0,1,0,0,0,1|0,0,2]=4 304 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [0,1,0,0,0,1|1,0,1]=4 305 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 B61392 [0,1,0,0,0,1|0,0,0]=2 306 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 B52614 [0,1,0,0,0,1|0,0,2]=4 307 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 F51992 [0,1,0,0,0,1|0,0,2]=4 308 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 F52641 [0,1,0,0,0,1|0,0,2]=4 309 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 F51991 [0,1,0,0,0,1|0,0,2]=4 310 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 F65412 [0,1,0,0,0,1|0,0,0]=2 311 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [0,1,0,0,0,1|0,0,2]=4 312 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [0,1,0,0,0,1|0,0,2]=4 313 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [0,1,0,0,0,1|0,0,2]=4 314 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,1,0,0,0,1|0,0,2]=4 315 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,1,0,0,0,1|0,0,2]=4 316 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,1,0,0,0,1|0,0,1]=3 317 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [0,1,0,0,0,1|0,0,2]=4 318 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [0,1,0,0,0,1|0,0,2]=4 319 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [0,1,0,0,0,1|0,0,2]=4 320 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 P54767 [0,1,0,0,0,1|0,0,2]=4 321 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 A68979 [0,1,0,0,0,1|0,0,2]=4 322 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 B52615 [0,1,0,0,0,1|0,0,2]=4 323 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 C38697 [0,1,0,0,0,1|0,0,2]=4 324 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 K52648 [0,1,0,0,0,1|0,0,2]=4 325 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 H69215 [0,1,0,0,0,1|0,0,2]=4 326 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 B49795 [0,1,0,0,0,1|0,0,2]=4 327 B13R1.718 COC(=O)CCNC1=CC=CC=C1 M52952 [0,1,0,0,0,1|0,0,2]=4 328 B13R1.718 COC(=O)CNCC1=CC=CC=C1 M52944 [0,1,0,0,0,1|0,0,2]=4 329 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 M52829 [0,2,0,0,0,0|0,0,2]=4 330 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 M49941 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.3 CSC1=CC=C(C=CC(=O)O)C=C1 M52447 [0,2,0,0,0,0|0,0,0]=2 332 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 C53932 [0,2,0,0,0,0|0,0,2]=4 333 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 C51387 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 C51199 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 F51639 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.14 COC(=O)C=CC1=CC=C(Br)C=C1 M53987 [0,2,0,0,0,0|0,0,0]=2 337 B13R1.14 COC(=O)C=CC1=CC=C(C)C=C1 M54553 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 M52626 [0,2,0,0,0,0|0,0,2]=4 339 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 M52652 [0,2,0,0,0,0|0,0,2]=4 340 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [0,2,0,0,0,0|0,0,2]=4 341 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [0,2,0,0,0,0|0,0,2]=4 342 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M68976 [0,2,0,0,0,0|0,0,2]=4 343 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [0,2,0,0,0,0|1,0,1]=4 344 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 F62044 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49796 [0,2,0,0,0,0|0,0,2]=4 346 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49804 [0,2,0,0,0,0|0,0,2]=4 347 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A49819 [0,2,0,0,0,0|0,0,2]=4 348 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A61063 [0,2,0,0,0,0|0,0,2]=4 349 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 A49836 [0,2,0,0,0,0|0,0,2]=4 350 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50100 [0,2,0,0,0,0|0,0,2]=4 351 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [0,2,0,0,0,0|0,0,2]=4 352 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [0,2,0,0,0,0|0,0,2]=4 353 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H69720 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.133 C\C(=C/C1=CC=C(Br)C=C1)[N+](=O)[O-] B51470 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A52242 [0,2,0,0,0,0|0,0,1]=3 356 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [0,2,0,0,0,0|0,0,2]=4 357 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [0,2,0,0,0,0|0,0,2]=4 358 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [0,2,0,0,0,0|0,0,2]=4 359 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [0,2,0,0,0,0|0,0,2]=4 360 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [0,2,0,0,0,0|0,0,2]=4 361 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [0,2,0,0,0,0|0,0,2]=4 362 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [0,2,0,0,0,0|0,0,2]=4 363 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [0,2,0,0,0,0|0,0,2]=4 364 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [0,2,0,0,0,0|0,0,2]=4 365 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [0,2,0,0,0,0|0,0,2]=4 366 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [0,2,0,0,0,0|0,0,2]=4 369 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [0,2,0,0,0,0|0,0,2]=4 370 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [0,2,0,0,0,0|0,0,2]=4 371 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 C24234 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 B51583 [0,2,0,0,0,0|0,0,2]=4 373 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 B51571 [0,2,0,0,0,0|0,0,2]=4 374 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 D51598 [0,2,0,0,0,0|0,0,2]=4 375 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 C51605 [0,2,0,0,0,0|0,0,2]=4 376 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 D60588 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.164 O=C(O)COC1=C(O)C=C(Cl)C=C1 C48700 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 D61904 [0,2,0,0,0,0|0,0,0]=2 379 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 D69477 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1 C50979 [0,2,0,0,0,0|0,0,0]=2 381 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 D54780 [0,2,0,0,0,0|0,0,2]=4 382 B13R1.511 CC1=C(F)C=C(C=CC(=O)O)C=C1 F54001 [0,2,0,0,0,0|0,0,0]=2 383 B13R1.511 O=C(O)C=CC1=CC(Cl)=C(F)C=C1 C50975 [0,2,0,0,0,0|0,0,0]=2 384 B13R1.511 O=C(O)CCC1=CC(Br)=C(F)C=C1 B51584 [0,2,0,0,0,0|0,0,2]=4 385 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Cl)C=C1 D51599 [0,2,0,0,0,0|0,0,2]=4 386 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 B32283 [0,2,0,0,0,0|0,0,2]=4 387 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 D50986 [0,2,0,0,0,0|0,0,0]=2 388 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,2,0,0,0,0|0,0,1]=3 389 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 M51823 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 M51824 [0,2,0,0,0,0|1,0,1]=4 391 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [0,2,0,0,0,0|0,0,2]=4 392 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M52841 [0,2,0,0,0,0|0,0,2]=4 393 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 M38076 [0,2,0,0,0,0|0,0,2]=4 394 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 M52568 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [0,2,0,0,0,0|0,0,2]=4 396 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [0,2,0,0,0,0|1,0,1]=4 397 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [0,2,0,0,0,0|0,0,2]=4 399 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [0,2,0,0,0,0|0,0,2]=4 400 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,2,0,0,0,0|0,0,2]=4 401 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,2,0,0,0,0|0,0,2]=4 402 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,2,0,0,0,0|0,0,2]=4 403 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,2,0,0,0,0|0,0,2]=4 404 B13R1.528 COC(=O)C=CC1=C(N)C=CC=C1 M52562 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,2,0,0,0,0|0,0,2]=4 406 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52953 [0,2,0,0,0,0|0,0,2]=4 407 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 M52937 [0,2,0,0,0,0|0,0,2]=4 408 B13R1.148 C\C(=C/C1=CC=CC(Br)=C1)[N+](=O)[O-] B65526 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52254 [0,2,0,0,0,0|0,0,2]=4 410 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O A68969 [0,2,0,0,0,0|0,0,2]=4 411 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O T67429 [0,2,0,0,0,0|0,0,2]=4 412 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O A37859 [0,2,0,0,0,0|0,0,2]=4 413 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O B67992 [0,2,0,0,0,0|0,0,2]=4 414 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O A61471 [0,2,0,0,0,0|0,0,2]=4 415 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O F49826 [0,2,0,0,0,0|0,0,2]=4 416 B13R1.148 N[C@H](CC1=CC=CC(Br)=C1)C(=O)O A67546 [0,2,0,0,0,0|0,0,2]=4 417 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O A68296 [0,2,0,0,0,0|0,0,2]=4 418 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O A60702 [0,2,0,0,0,0|0,0,2]=4 419 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,2,0,0,0,0|1,0,1]=4 420 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O P52123 [0,2,0,0,0,0|0,0,2]=4 421 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 A52962 [0,2,0,0,0,0|0,0,2]=4 422 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52954 [0,2,0,0,0,0|0,0,2]=4 423 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A61938 [0,2,0,0,0,0|0,0,2]=4 424 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O A49818 [0,2,0,0,0,0|0,0,2]=4 425 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O A52126 [0,2,0,0,0,0|0,0,2]=4 426 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O A49838 [0,2,0,0,0,0|0,0,2]=4 427 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O M37956 [0,2,0,0,0,0|0,0,2]=4 428 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A52956 [0,2,0,0,0,0|0,0,2]=4 429 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A54162 [0,2,0,0,0,0|0,0,2]=4 430 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D54779 [0,2,0,0,0,0|0,0,2]=4 431 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 A52955 [0,2,0,0,0,0|0,0,2]=4 432 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 A36931 [0,2,0,0,0,0|0,0,2]=4 433 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 A49835 [0,2,0,0,0,0|0,0,2]=4 434 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(F)=C1 A49840 [0,2,0,0,0,0|0,0,2]=4 435 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A52969 [0,2,0,0,0,0|0,0,2]=4 436 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 A52963 [0,2,0,0,0,0|0,0,2]=4 437 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 A49834 [0,2,0,0,0,0|0,0,2]=4 438 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 A49821 [0,2,0,0,0,0|0,0,2]=4 439 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 M62402 [0,2,0,0,0,0|0,0,2]=4 440 B13R1.90 COC1=C(C=CC(=O)O)C=CC=C1 M39590 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 M52828 [0,2,0,0,0,0|0,0,2]=4 442 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 M64054 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.90 COC1=C(\C=C\[N+](=O)[O-])C=CC=C1 M66294 [0,2,0,0,0,0|1,0,1]=4 444 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 H49947 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.90 O=CC1=C(C=CC(=O)O)C=CC=C1 F53805 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 F67142 [0,2,0,0,0,0|1,0,1]=4 447 B13R1.150 O=C(O)C=CC1=CC=CC(Cl)=C1F C50978 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1Cl D38742 [0,2,0,0,0,0|0,0,2]=4 449 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1F C51606 [0,2,0,0,0,0|0,0,2]=4 450 B13R1.893 CC1=CC(C=CC(=O)O)=C(C)C=C1 D54556 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.893 O=C(O)CCC1=C(Cl)C=CC(Cl)=C1 D38926 [0,2,0,0,0,0|0,0,2]=4 452 B13R1.893 O=C(O)CCC1=C(F)C=CC(Br)=C1 B51585 [0,2,0,0,0,0|0,0,2]=4 453 B13R1.893 O=C(O)CCC1=C(F)C=CC(Cl)=C1 C51607 [0,2,0,0,0,0|0,0,2]=4 454 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 B61684 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.3787 O=C(O)C=CC1=C(Cl)C=CC=C1Cl D39564 [0,2,0,0,0,0|0,0,0]=2 456 B13R1.3787 O=C(O)COC1=C(Cl)C=CC=C1Cl D48215 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.643 COC1=CC=CC(C=C[N+](=O)[O-])=C1 M51818 [0,2,0,0,0,0|1,0,1]=4 458 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 M37285 [0,2,0,0,0,0|0,0,2]=4 459 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 M68987 [0,2,0,0,0,0|0,0,0]=2 460 B13R1.643 COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 M65845 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.643 N#CC1=CC=CC(CCC(=O)O)=C1 C38992 [0,2,0,0,0,0|0,0,2]=4 462 B13R1.3420 CC1=CC(C)=CC(CCC(=O)O)=C1 D54781 [0,2,0,0,0,0|0,0,2]=4 463 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Br)=C1 D51561 [0,2,0,0,0,0|0,0,2]=4 464 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 D62149 [0,2,0,0,0,0|0,0,2]=4 465 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 D51615 [0,2,0,0,0,0|0,0,2]=4 466 B13R1.3420 O=C(O)\C=C\C1=CC(Cl)=CC(Cl)=C1 D63861 [0,2,0,0,0,0|0,0,0]=2 467 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 E36717 [0,0,1,1,0,0|0,0,2]=4 468 B11R1.53 C=CC1=C(B(O)O)C=CC=C1 V5638 [0,0,1,1,0,0|1,0,1]=4 469 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [0,0,1,1,0,0|0,0,2]=4 470 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 M69034 [0,0,1,1,0,0|1,0,1]=4 471 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 H46555 [0,0,1,1,0,0|2,0,0]=4 472 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 C48588 [0,0,1,1,0,0|1,0,1]=4 473 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 H49093 [0,0,1,1,0,0|1,0,1]=4 474 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 F59858 [0,0,1,1,0,0|2,0,0]=4 475 B11R1.266 C#CC1=CC=CC(C(=O)O)=C1 E50962 [0,0,1,1,0,0|0,0,2]=4 476 B11R1.266 C=CC1=CC=CC(B(O)O)=C1 V5639 [0,0,1,1,0,0|1,0,1]=4 477 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 M49088 [0,0,1,1,0,0|1,0,1]=4 478 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 C39460 [0,0,1,1,0,0|1,0,1]=4 479 B11R1.266 NC(=O)C1=CC(C=O)=CC=C1 F48454 [0,0,1,1,0,0|2,0,0]=4 480 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 A49646 [0,0,1,1,0,0|1,0,1]=4 481 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 H62311 [0,0,1,1,0,0|1,0,1]=4 482 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 B38629 [0,0,1,1,0,0|1,0,1]=4 483 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 C48590 [0,0,1,1,0,0|1,0,1]=4 484 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 F27989 [0,0,1,1,0,0|1,0,0]=3 485 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 F45004 [0,0,1,1,0,0|2,0,0]=4 486 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 B25445 [0,0,1,1,0,0|1,0,1]=4 487 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 C39492 [0,0,1,1,0,0|1,0,1]=4 488 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 F48616 [0,0,1,1,0,0|1,0,1]=4 489 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 K48634 [0,0,1,1,0,0|1,0,1]=4 490 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 A38108 [0,0,1,1,0,0|1,0,1]=4 491 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 H49098 [0,0,1,1,0,0|1,0,1]=4 492 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 B48567 [0,0,1,1,0,0|1,0,1]=4 493 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 D39532 [0,0,1,1,0,0|0,0,2]=4 494 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 C48592 [0,0,1,1,0,0|1,0,1]=4 495 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 F48611 [0,0,1,1,0,0|1,0,1]=4 496 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 I24082 [0,0,1,1,0,0|1,0,1]=4 497 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 A67448 [0,0,1,1,0,0|1,0,1]=4 498 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 H60608 [0,0,1,1,0,0|1,0,1]=4 499 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 B68128 [0,0,1,1,0,0|2,0,0]=4 500 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 A69316 [0,0,1,1,0,0|2,0,0]=4 501 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 A69260 [0,0,1,1,0,0|2,0,0]=4 502 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 A39389 [0,0,1,1,0,0|2,0,0]=4 503 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 A67447 [0,0,1,1,0,0|2,0,0]=4 504 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 A45331 [0,0,1,1,0,0|2,0,0]=4 505 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 A45355 [0,0,1,1,0,0|2,0,0]=4 506 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 A45380 [0,0,1,1,0,0|2,0,0]=4 507 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 D44563 [0,0,1,1,0,0|2,0,0]=4 508 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 B44565 [0,0,1,1,0,0|2,0,0]=4 509 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 B39335 [0,0,1,1,0,0|2,0,0]=4 510 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 B44583 [0,0,1,1,0,0|2,0,0]=4 511 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 B45110 [0,0,1,1,0,0|2,0,0]=4 512 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 B39334 [0,0,1,1,0,0|2,0,0]=4 513 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 D68554 [0,0,1,1,0,0|2,0,0]=4 514 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 C44589 [0,0,1,1,0,0|2,0,0]=4 515 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 C44598 [0,0,1,1,0,0|2,0,0]=4 516 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 C37903 [0,0,1,1,0,0|2,0,0]=4 517 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 B44577 [0,0,1,1,0,0|2,0,0]=4 518 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 C37880 [0,0,1,1,0,0|2,0,0]=4 519 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 F17987 [0,0,1,1,0,0|2,0,0]=4 520 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 B13763 [0,0,1,1,0,0|2,0,0]=4 521 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 C44603 [0,0,1,1,0,0|2,0,0]=4 522 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 F28645 [0,0,1,1,0,0|2,0,0]=4 523 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 D68213 [0,0,1,1,0,0|2,0,0]=4 524 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 H45127 [0,0,1,1,0,0|2,0,0]=4 525 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 B67995 [0,0,1,1,0,0|2,0,0]=4 526 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 F68863 [0,0,1,1,0,0|2,0,0]=4 527 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 H62399 [0,0,1,1,0,0|2,0,0]=4 528 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 B45087 [0,0,1,1,0,0|2,0,0]=4 529 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [1,0,0,1,0,0|2,0,0]=4 530 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [1,0,0,1,0,0|2,0,0]=4 531 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 532 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [1,0,0,1,0,0|2,0,0]=4 533 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,1,0,0|2,0,0]=4 534 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [1,0,0,1,0,0|2,0,0]=4 535 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [1,0,0,1,0,0|1,0,1]=4 536 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.1 OC1=COC2=C1N=CC=C2 F32399 [1,0,0,1,0,0|2,0,0]=4 538 B11R2.20 C1=CC2=CN=CC=C2N=C1 N68351 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.20 C1=CC=C2C=NC=CC2=C1 Q68586 [1,0,0,1,0,0|2,0,0]=4 540 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.20 C1=CN=C2C=CC=NC2=C1 N47854 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.20 C1=CN=C2N=CC=CC2=C1 D38003 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,0,0,1,1,0|2,0,0]=4 544 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [0,0,0,1,1,0|1,0,0]=3 545 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [0,0,0,1,1,0|1,1,0]=4 546 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,1,1,0|2,0,0]=4 547 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,0,0,1,1,0|2,0,0]=4 548 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,0,0,1,1,0|1,1,0]=4 549 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,0,0,1,1,0|2,0,0]=4 550 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,0,0,1,1,0|2,0,0]=4 551 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [0,0,0,1,1,0|2,0,0]=4 552 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,0,0,1,1,0|2,0,0]=4 553 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,0,0,1,1,0|1,1,0]=4 554 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,0,0,1,1,0|2,0,0]=4 555 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [0,0,0,1,1,0|2,0,0]=4 556 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,1,1,0|1,0,1]=4 557 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,0,0,1,1,0|2,0,0]=4 558 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [0,0,0,1,1,0|2,0,0]=4 559 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [0,0,0,1,1,0|1,0,0]=3 560 B11R2.10 OC1=CN2C=CC=CC2=N1 K45215 [0,0,0,1,1,0|2,0,0]=4 561 B11R2.36 O=C1C=CC2=C(C=CN2)N1 P45226 [0,0,0,1,1,0|2,0,0]=4 562 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [0,0,0,1,1,0|2,0,0]=4 563 B11R2.36 OC1=CC2=C(C=C1)SC=C2 B36743 [0,0,0,1,1,0|2,0,0]=4 564 B11R2.36 OC1=CC2=C(C=CN2)C=C1 H2141 [0,0,0,1,1,0|2,0,0]=4 565 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 B53499 [0,0,0,1,0,1|1,1,0]=4 566 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 B36883 [0,0,0,1,0,1|1,0,0]=3 567 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 B50912 [0,0,0,1,0,1|2,0,0]=4 568 B13R2.10 BrC1=NC=C(C2=CC=CC=C2)O1 B50911 [0,0,0,1,0,1|1,0,0]=3 569 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)O1 B36806 [0,0,0,1,0,1|2,0,0]=4 570 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 M52284 [0,0,0,1,0,1|2,0,0]=4 571 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 M52283 [0,0,0,1,0,1|2,0,0]=4 572 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 M52280 [0,0,0,1,0,1|2,0,0]=4 573 B13R2.10 ClC1=NN=C(C2=CC=CC=C2)O1 C38308 [0,0,0,1,0,1|2,0,0]=4 574 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 K53503 [0,0,0,1,0,1|1,1,0]=4 575 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 P38913 [0,0,0,1,0,1|2,0,0]=4 576 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 P59346 [0,0,0,1,0,1|2,0,0]=4 577 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 P9980 [0,0,0,1,0,1|2,0,0]=4 578 B13R2.10 NC1=NN=C(C2=CC=CC=C2)O1 P48397 [0,0,0,1,0,1|2,0,0]=4 579 B13R2.10 O=C1C=CN(C2=CC=CC=C2)N1 P51358 [0,0,0,1,0,1|1,0,0]=3 580 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 P37550 [0,0,0,1,0,1|0,0,1]=3 581 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 P61590 [0,0,0,1,0,1|2,0,0]=4 582 B13R2.72 CC(=O)C1=C2C=CC=CN2N=C1 P67372 [0,0,0,1,0,1|2,0,0]=4 583 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 K51361 [0,0,0,1,0,1|2,0,0]=4 584 B13R2.72 CC(=O)C1=CN=C2NC=CC=C12 P0773 [0,0,0,1,0,1|2,0,0]=4 585 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 I24984 [0,0,0,1,0,1|1,0,0]=3 586 B13R2.72 CC(=O)C1=CNC2=C1C=CN=C2 P51363 [0,0,0,1,0,1|2,0,0]=4 587 B13R2.72 CC(=O)C1=CNC2=C1C=NC=C2 P51364 [0,0,0,1,0,1|2,0,0]=4 588 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 K9334 [0,0,0,1,0,1|2,0,0]=4 589 B13R2.72 CC(=O)N1N=CC2=C1C=CC=C2 K51355 [0,0,0,1,0,1|2,0,0]=4 590 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 K51345 [0,0,0,1,0,1|1,0,0]=3 591 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 K26321 [0,0,0,1,0,1|2,0,0]=4 592 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 I7958 [0,0,0,1,0,1|1,0,0]=3 593 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 P11236 [0,0,0,1,0,1|1,0,0]=3 594 B13R2.72 O=C(O)C1=C2N=CC=CN2N=C1 P0257 [0,0,0,1,0,1|2,0,0]=4 595 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 P1023 [0,0,0,1,0,1|1,0,0]=3 596 B13R2.72 O=C(O)C1=CNC2=C1C=CN=C2 P7859 [0,0,0,1,0,1|1,0,0]=3 597 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 A7966 [0,0,0,1,0,1|1,0,0]=3 598 B13R2.72 O=C(O)C1=CNC2=C1C=NC=N2 P7578 [0,0,0,1,0,1|2,0,0]=4 599 B13R2.72 O=C(O)C1=CNC2=CC=CN=C21 P1670 [0,0,0,1,0,1|1,0,0]=3 600 B13R2.72 O=C(O)C1=CNC2=NC=CN=C12 P7582 [0,0,0,1,0,1|2,0,0]=4 601 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 B50992 [0,0,0,1,0,1|0,0,0]=2 602 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 B37963 [0,0,0,1,0,1|0,0,0]=2 603 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 I1543 [0,0,0,1,0,1|1,0,0]=3 604 B13R2.72 O=C(O)C1=NNC2=C1C=CC=N2 P7455 [0,0,0,1,0,1|2,0,0]=4 605 B13R2.72 O=C(O)C1=NNC2=C1C=CN=C2 P12579 [0,0,0,1,0,1|2,0,0]=4 606 B13R2.72 O=C(O)C1=NNC2=C1C=NC=C2 P14271 [0,0,0,1,0,1|2,0,0]=4 607 B13R2.72 O=C(O)C1=NNC2=CC=CN=C21 P1794 [0,0,0,1,0,1|2,0,0]=4 608 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 K52427 [0,0,0,1,0,1|0,0,2]=4 609 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 K52237 [0,0,0,1,0,1|0,0,2]=4 610 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 K52238 [0,0,0,1,0,1|0,0,2]=4 611 B13R2.72 O=[N+]([O-])C1=CNC2=C1C=CC=C2 N47873 [0,0,0,1,0,1|1,0,1]=4 612 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 B48636 [0,0,0,1,0,1|1,0,1]=4 613 B13R2.72 OB(O)C1=CSC2=C1C=CC=C2 B48586 [0,0,0,1,0,1|1,0,1]=4 614 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,0,0,1,0,1|0,0,2]=4 615 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,0,0,1,0,1|0,0,2]=4 616 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,0,0,1,0,1|0,0,2]=4 617 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 D38459 [0,1,0,1,0,0|2,0,0]=4 618 B13R2.155 CC1=CC2=C(C=CC(=O)O2)C=C1 M61105 [0,1,0,1,0,0|0,0,0]=2 619 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=N1 B23904 [0,1,0,1,0,0|2,0,0]=4 620 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 D55696 [0,1,0,1,0,0|2,0,0]=4 621 B13R2.155 CC1=CC=C2C=CC(Cl)=CC2=N1 C69390 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.155 ClC1=CC=C2C=CC(Br)=CC2=N1 B27005 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.155 FC1=CC=C2C=CC(Br)=NC2=C1 B50721 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 A48394 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 A51352 [0,1,0,1,0,0|1,0,0]=3 626 B13R2.155 NC1=CC=C2C=CC(=O)N=C2N1 A48399 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 B32431 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 A54232 [0,1,0,1,0,0|1,0,0]=3 629 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 C50935 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)N1 B27007 [0,1,0,1,0,0|1,0,0]=3 631 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)O1 B50763 [0,1,0,1,0,0|0,0,0]=2 632 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 C67752 [0,1,0,1,0,0|1,0,0]=3 633 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 F50771 [0,1,0,1,0,0|0,0,0]=2 634 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 H24988 [0,1,0,1,0,0|1,0,0]=3 635 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 B47607 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.155 OC1=CC=C2C=CC(Br)=CC2=C1 B53613 [0,1,0,1,0,0|1,0,0]=3 637 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 C62024 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=N1 C37749 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 B50905 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 K50958 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.155 OC1=CN=C2C=CC(Cl)=CC2=C1 C50924 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.155 OC1=NC=C2C=CC(Br)=CC2=C1 B9361 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.155 OC1=NC=C2C=CC(F)=CC2=C1 F50945 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O A48492 [0,1,0,1,0,0|1,0,1]=4 645 B13R2.32 CC1=C(O)C2=CC=CN=C2C=C1 M53899 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 M53894 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.32 CC1=C([Mg+])C2=CC=CC=C2C=C1 M31716 [0,1,0,1,0,0|2,0,0]=4 648 B13R2.32 CN1C=CC2=C(C=CC=C2)C1=O M53906 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.32 NC1=C(O)C2=CC=CC=C2N=C1 A51341 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 B39639 [0,1,0,1,0,0|1,0,0]=3 651 B13R2.32 OC1=C(Br)C2=CN=CC=C2C=C1 B50915 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 B67708 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.32 OC1=C(Br)C=CC2=CC=CN=C21 B50910 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 C38681 [0,1,0,1,0,0|1,0,0]=3 655 B13R2.32 OC1=C(Cl)C=CC2=CC=CN=C21 C50926 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.32 OC1=C(F)C=CC2=CC=CN=C21 F50944 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 K53627 [0,1,0,1,0,0|1,0,0]=3 658 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 I6887 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B55307 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 B53698 [0,1,0,1,0,0|2,0,0]=4 661 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 E67694 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 V55310 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 M52278 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M69058 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.57 COC1=CC2=CC=NC=C2C=C1 M53897 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [0,1,0,1,0,0|1,0,0]=3 668 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 C55309 [0,1,0,1,0,0|2,0,0]=4 669 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 C53733 [0,1,0,1,0,0|2,0,0]=4 670 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 Q3937 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N54371 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N55437 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 N39648 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 H51702 [0,1,0,1,0,0|2,0,0]=4 675 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N64900 [0,1,0,1,0,0|1,0,0]=3 676 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [0,1,0,1,0,0|2,0,0]=4 677 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 Q1105 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 F1406 [0,1,0,1,0,0|2,0,0]=4 679 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [0,1,0,1,0,0|1,0,0]=3 680 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 I38800 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 Q53901 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O H51786 [0,1,0,1,0,0|1,0,1]=4 683 B13R2.15272 COC(=O)[C@@H]1CC2=C1C=CC=C2 M52443 [0,1,0,1,0,0|0,0,2]=4 684 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br D11891 [0,1,0,1,0,0|2,0,0]=4 685 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br D12593 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C53724 [0,1,0,1,0,0|2,0,0]=4 687 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br B60030 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.369 CC1=NC2=CC=CC=C2C=C1N M38253 [0,1,0,1,0,0|2,0,0]=4 689 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl D50728 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br B0520 [0,1,0,1,0,0|2,0,0]=4 691 B13R2.369 NC1=CC2=CC=CC=C2C=C1I K53740 [0,1,0,1,0,0|2,0,0]=4 692 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,1,0,1,0,0|1,0,0]=3 693 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br B38777 [0,1,0,1,0,0|2,0,0]=4 694 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,1,0,1,0,0|1,0,0]=3 696 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl C18445 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,1,0,1,0,0|1,0,0]=3 698 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,1,0,1,0,0|1,0,0]=3 699 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,1,0,1,0,0|1,0,0]=3 700 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,1,0,1,0,0|2,0,0]=4 701 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 B51183 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.435 NC(=O)C1=CC2=CC=CNC2=N1 P29771 [0,1,0,1,0,0|2,0,0]=4 703 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,1,0,1,0,0|2,0,0]=4 704 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,1,0,1,0,0|0,0,0]=2 705 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,1,0,1,0,0|0,0,0]=2 706 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,1,0,1,0,0|1,0,0]=3 707 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 T0447 [0,1,0,1,0,0|1,0,0]=3 708 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,1,0,1,0,0|1,0,0]=3 709 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 F8714 [0,1,0,1,0,0|1,0,0]=3 710 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P14654 [0,1,0,1,0,0|2,0,0]=4 711 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,1,0,1,0,0|1,0,0]=3 712 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P44883 [0,1,0,1,0,0|2,0,0]=4 713 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P7615 [0,1,0,1,0,0|2,0,0]=4 714 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 T12732 [0,1,0,1,0,0|1,0,0]=3 715 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 K3713 [0,1,0,1,0,0|1,0,0]=3 716 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 K60831 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 K44878 [0,1,0,1,0,0|2,0,0]=4 718 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 P47888 [0,1,0,1,0,0|2,0,0]=4 719 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,1,0,1,0,0|1,0,0]=3 720 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,1,0,1,0,0|1,0,0]=3 721 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 K44881 [0,1,0,1,0,0|2,0,0]=4 722 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 K44882 [0,1,0,1,0,0|2,0,0]=4 723 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 P47887 [0,1,0,1,0,0|1,0,0]=3 724 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P15084 [0,1,0,1,0,0|2,0,0]=4 725 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 D22647 [0,1,0,1,0,0|0,0,2]=4 726 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 K9534 [0,1,0,1,0,0|0,0,2]=4 727 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)O1 D9444 [0,1,0,1,0,0|0,0,2]=4 728 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 B37604 [0,1,0,1,0,0|1,0,1]=4 729 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 B1440 [0,1,0,1,0,0|1,0,1]=4 730 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)N1 M53903 [0,1,0,1,0,0|2,0,0]=4 731 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 B53700 [0,1,0,1,0,0|2,0,0]=4 732 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 D54369 [0,1,0,1,0,0|2,0,0]=4 733 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 C9556 [0,1,0,1,0,0|2,0,0]=4 734 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 M38860 [0,1,0,1,0,0|1,0,0]=3 735 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 B53703 [0,1,0,1,0,0|2,0,0]=4 736 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 C53725 [0,1,0,1,0,0|2,0,0]=4 737 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 M69060 [0,1,0,1,0,0|2,0,0]=4 738 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 M60829 [0,1,0,1,0,0|2,0,0]=4 739 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 D9344 [0,1,0,1,0,0|2,0,0]=4 740 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 A51343 [0,1,0,1,0,0|1,0,0]=3 741 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 B51046 [0,1,0,1,0,0|2,0,0]=4 742 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 C51069 [0,1,0,1,0,0|2,0,0]=4 743 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 B51048 [0,1,0,1,0,0|2,0,0]=4 744 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 A68849 [0,1,0,1,0,0|2,0,0]=4 745 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 B38904 [0,1,0,1,0,0|1,0,0]=3 746 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 C50932 [0,1,0,1,0,0|1,0,0]=3 747 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 C63746 [0,1,0,1,0,0|0,0,0]=2 748 B13R2.328 O=C1C=C(Cl)C2=C(N=CC=C2)N1 C47614 [0,1,0,1,0,0|2,0,0]=4 749 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 D69317 [0,1,0,1,0,0|1,0,0]=3 750 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [0,1,0,1,0,0|1,0,1]=4 751 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,1,0,1,0,0|2,0,0]=4 752 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,1,0,1,0,0|2,0,0]=4 753 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,1,0,1,0,0|2,0,0]=4 754 B13R2.328 OC1=CC(Br)=CC2=CC=CC=C12 B61353 [0,1,0,1,0,0|2,0,0]=4 755 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 B53616 [0,1,0,1,0,0|1,0,0]=3 756 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 N60644 [0,1,0,1,0,0|1,0,0]=3 757 B13R2.328 OC1=CC2=CC=CN=C2C(Cl)=C1 C38085 [0,1,0,1,0,0|2,0,0]=4 758 B13R2.12159 O=C1OI(=O)(O)C2=C1C=CC=C2 K67404 [0,1,0,1,0,0|2,0,0]=4 759 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 M53895 [0,1,0,1,0,0|2,0,0]=4 760 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 C53726 [0,1,0,1,0,0|2,0,0]=4 761 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 M54373 [0,1,0,1,0,0|2,0,0]=4 762 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 M67755 [0,1,0,1,0,0|2,0,0]=4 763 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 D24437 [0,1,0,1,0,0|2,0,0]=4 764 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C51071 [0,1,0,1,0,0|2,0,0]=4 765 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 C64042 [0,1,0,1,0,0|2,0,0]=4 766 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 B50916 [0,1,0,1,0,0|1,0,0]=3 767 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 H51173 [0,1,0,1,0,0|1,0,0]=3 768 B13R2.5179 O=C1C=CNC2=C1C=CC(O)=C2 H62038 [0,1,0,1,0,0|2,0,0]=4 769 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 H12093 [0,1,0,1,0,0|2,0,0]=4 770 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 H51182 [0,1,0,1,0,0|2,0,0]=4 771 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 B36899 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 F53619 [0,1,0,1,0,0|2,0,0]=4 773 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl C50929 [0,1,0,1,0,0|2,0,0]=4 774 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 C28695 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 D69657 [0,1,0,1,0,0|1,0,0]=3 776 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 C23632 [0,1,0,1,0,0|2,0,0]=4 777 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=N1 B53712 [0,1,0,1,0,0|2,0,0]=4 778 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 D54370 [0,1,0,1,0,0|2,0,0]=4 779 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 M37877 [0,1,0,1,0,0|2,0,0]=4 780 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=N1 B20804 [0,1,0,1,0,0|2,0,0]=4 781 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 D50730 [0,1,0,1,0,0|2,0,0]=4 782 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 B62031 [0,1,0,1,0,0|2,0,0]=4 783 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 A66652 [0,1,0,1,0,0|1,0,0]=3 784 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 B53713 [0,1,0,1,0,0|2,0,0]=4 785 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 A51340 [0,1,0,1,0,0|2,0,0]=4 786 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2O1 B50765 [0,1,0,1,0,0|0,0,0]=2 787 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 F50947 [0,1,0,1,0,0|1,0,0]=3 788 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 H64549 [0,1,0,1,0,0|0,0,0]=2 789 B13R2.162 OC1=C2C=C(Br)C=CC2=CC=C1 B53612 [0,1,0,1,0,0|2,0,0]=4 790 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 F53621 [0,1,0,1,0,0|2,0,0]=4 791 B13R2.162 OC1=C2N=C(Br)C=CC2=CC=C1 B50903 [0,1,0,1,0,0|2,0,0]=4 792 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 C28732 [0,1,0,1,0,0|2,0,0]=4 793 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 B53615 [0,1,0,1,0,0|1,0,0]=3 794 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=N1 C50927 [0,1,0,1,0,0|1,0,0]=3 795 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 F64850 [0,1,0,1,0,0|1,0,0]=3 796 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C50930 [0,1,0,1,0,0|2,0,0]=4 797 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 B50907 [0,1,0,1,0,0|2,0,0]=4 798 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 D53419 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.3683 BrC1=CC=C2C=C(I)C=CC2=C1 B61001 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=N1 B38532 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 F53735 [0,1,0,1,0,0|2,0,0]=4 802 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 B53701 [0,1,0,1,0,0|2,0,0]=4 803 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 D68332 [0,1,0,1,0,0|2,0,0]=4 804 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 B4249 [0,1,0,1,0,0|2,0,0]=4 805 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 C50740 [0,1,0,1,0,0|2,0,0]=4 806 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 D50729 [0,1,0,1,0,0|2,0,0]=4 807 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 B53420 [0,1,0,1,0,0|2,0,0]=4 808 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=N1 B50723 [0,1,0,1,0,0|2,0,0]=4 809 B13R2.3683 FC1=CC=C2N=C(Br)C=CC2=C1 B50720 [0,1,0,1,0,0|2,0,0]=4 810 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 A48393 [0,1,0,1,0,0|2,0,0]=4 811 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 B0908 [0,1,0,1,0,0|2,0,0]=4 812 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 B53721 [0,1,0,1,0,0|2,0,0]=4 813 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 F53736 [0,1,0,1,0,0|2,0,0]=4 814 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=N1 F51093 [0,1,0,1,0,0|2,0,0]=4 815 B13R2.3683 NC1=CC=C2C=C(O)C=NC2=C1 A51342 [0,1,0,1,0,0|2,0,0]=4 816 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 C50936 [0,1,0,1,0,0|2,0,0]=4 817 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 B1071 [0,1,0,1,0,0|1,0,0]=3 818 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)O1 B50762 [0,1,0,1,0,0|0,0,0]=2 819 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)N1 H38004 [0,1,0,1,0,0|1,0,0]=3 820 B13R2.3683 O=C1C=CC2=CC(Cl)=CN=C2N1 C47615 [0,1,0,1,0,0|2,0,0]=4 821 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 B36742 [0,1,0,1,0,0|0,0,2]=4 822 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)O1 K51271 [0,1,0,1,0,0|0,0,2]=4 823 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 B10857 [0,1,0,1,0,0|2,0,0]=4 824 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 B67431 [0,1,0,1,0,0|1,0,0]=3 825 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 B50906 [0,1,0,1,0,0|2,0,0]=4 826 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=N1 B47609 [0,1,0,1,0,0|2,0,0]=4 827 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 C63906 [0,1,0,1,0,0|1,0,0]=3 828 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 F53620 [0,1,0,1,0,0|1,0,0]=3 829 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 K50959 [0,1,0,1,0,0|1,0,0]=3 830 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 C50923 [0,1,0,1,0,0|2,0,0]=4 831 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=N1 B47608 [0,1,0,1,0,0|2,0,0]=4 832 B9R1.12 O=CC=CC1=CC=CO1 F45509 [1,0,0,0,1,0|1,0,0]=3 833 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [1,0,0,0,1,0|1,0,0]=3 834 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,0,0,2,0|1,0,1]=4 835 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,0,0,2,0|1,0,1]=4 836 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,2,0|2,0,0]=4 837 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,0,0,0,2,0|2,0,0]=4 838 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,0,0,2,0|1,0,0]=3 839 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,2,0|2,0,0]=4 840 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,0,0,0,2,0|2,0,0]=4 841 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,0,0,0,2,0|2,0,0]=4 842 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,0,0,0,2,0|2,0,0]=4 843 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,0,0,0,2,0|2,0,0]=4 844 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,0,0,2,0|1,0,0]=3 845 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,0,0,0,2,0|2,0,0]=4 846 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,0,0,0,2,0|2,0,0]=4 847 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,0,0,0,2,0|2,0,0]=4 848 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,0,0,0,2,0|2,0,0]=4 849 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,0,0,0,2,0|1,0,1]=4 850 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,2,0|1,0,1]=4 851 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,2,0|1,0,1]=4 852 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [0,0,0,0,2,0|1,0,1]=4