0 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 B51183 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.435 CN(C)C1=NC2=C(C=CC=C2)N1 D50000 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.435 C[C@@H](N)C1=NC2=C(C=CC=C2)N1 B52093 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.435 FC(F)C1=CC2=C(N=CC=C2)N1 D14301 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.435 FC(F)C1=NC2=C(C=CC=C2)N1 D9000 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.435 NC(=O)C1=CC2=CC=CNC2=N1 P29771 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,0,0,0,0,0|1,0,0]=1 13 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,0,0,0,0,0|1,0,0]=1 14 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 T0447 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,0,0,0,0,0|1,0,0]=1 16 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 F8714 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P14654 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,0,0,0,0,0|1,0,0]=1 19 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P44883 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P7615 [0,0,0,0,0,0|2,0,0]=2 21 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 T12732 [0,0,0,0,0,0|2,0,0]=2 22 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 K3713 [0,0,0,0,0,0|1,0,1]=2 23 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 K60831 [0,0,0,0,0,0|2,0,1]=3 24 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 K44878 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 P47888 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,0,0,0,0,0|1,0,0]=1 27 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,0,0,0,0,0|1,0,1]=2 28 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 K44881 [0,0,0,0,0,0|2,0,0]=2 29 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 K44882 [0,0,0,0,0,0|2,0,0]=2 30 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 P47887 [0,0,0,0,0,0|1,0,1]=2 31 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P15084 [0,0,0,0,0,0|2,0,1]=3 32 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 D22647 [0,0,0,0,0,0|1,0,2]=3 33 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 K9534 [0,0,0,0,0,0|0,0,2]=2 34 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)O1 D9444 [0,0,0,0,0,0|1,0,2]=3 35 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 B37604 [0,0,0,0,0,0|1,0,2]=3 36 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 B1440 [0,0,0,0,0,0|2,0,1]=3 37 B13R2.435 OB(O)C1=CC2=C(N=CC=C2)N1 P30171 [0,0,0,0,0,0|2,0,1]=3 38 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [1,0,0,0,0,0|1,0,1]=3 39 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 C48331 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 K50792 [1,0,0,0,0,0|1,0,1]=3 43 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 B50760 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [1,0,0,0,0,0|1,0,1]=3 46 B12R2.32 NCC1=CC2=CC=CN=C2N1 P27892 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49625 [1,0,0,0,0,0|2,0,1]=4 48 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49689 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B9950 [1,0,0,0,0,0|2,0,1]=4 50 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 H46066 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,0,0,0,0,0|0,0,0]=1 52 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [1,0,0,0,0,0|1,0,0]=2 53 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 P24641 [1,0,0,0,0,0|1,0,0]=2 56 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 P1530 [1,0,0,0,0,0|1,0,0]=2 57 B12R2.32 O=CC1=CC2=CC=CN=C2S1 T47760 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [1,0,0,0,0,0|1,0,0]=2 59 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [1,0,0,0,0,0|1,0,1]=3 60 B12R2.32 O=CC1=NN2C=CC=CC2=N1 T44871 [1,0,0,0,0,0|2,0,1]=4 61 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [1,0,0,0,0,0|0,0,1]=2 62 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [1,0,0,0,0,0|1,0,1]=3 63 B12R2.32 OCC1=CN2C=CC=CC2=N1 I5665 [1,0,0,0,0,0|1,0,2]=4 64 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 B28661 [1,0,0,0,0,0|1,0,1]=3 65 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [1,0,0,0,0,0|1,0,2]=4 66 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B69048 [1,0,0,0,0,0|1,0,2]=4 67 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [1,0,0,0,0,0|0,0,3]=4 68 B14R2.450 CC1=C(B(O)O)OC2=C1C=CC=C2 M32251 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [0,1,0,0,0,0|0,0,0]=1 70 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 M20601 [0,1,0,0,0,0|0,0,0]=1 72 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CN=C2 M12552 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 A51383 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 A47894 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 B50864 [0,1,0,0,0,0|0,0,0]=1 76 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)S1 C39052 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [0,1,0,0,0,0|0,0,0]=1 79 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 M53804 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 M12534 [0,1,0,0,0,0|1,0,0]=2 81 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 M13607 [0,1,0,0,0,0|2,0,0]=3 82 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 M3314 [0,1,0,0,0,0|1,0,0]=2 83 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 M14021 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 M51214 [0,1,0,0,0,0|1,0,1]=3 86 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 P3313 [0,1,0,0,0,0|1,0,1]=3 87 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 M15179 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 M66075 [0,1,0,0,0,0|0,0,2]=3 89 B14R2.3129 CC(C)(C)C1=CC2=C(C=CC=C2)N1 B55952 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.3129 FC(F)(F)C1=CC2=C(C=CC=C2)N1 T50854 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.3129 O=S(=O)(O)C1=NC2=C(C=CC=C2)N1 B45249 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.4529 CC(=O)C1=NC2=C(C=C(Br)C=C2)N1 B51125 [0,1,0,0,0,0|2,0,0]=3 93 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [0,1,0,0,0,0|0,0,0]=1 94 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [0,1,0,0,0,0|1,0,0]=2 95 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [0,1,0,0,0,0|0,0,0]=1 96 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 M51401 [0,1,0,0,0,0|1,0,1]=3 97 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 M13886 [0,1,0,0,0,0|1,0,0]=2 98 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C38242 [0,1,0,0,0,0|1,0,0]=2 99 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [0,1,0,0,0,0|1,0,0]=2 100 B14R2.4529 NC1=CC2=C(C=C1)SC(C(=O)O)=C2 A51196 [0,1,0,0,0,0|1,0,0]=2 101 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 A13885 [0,1,0,0,0,0|1,0,0]=2 102 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B13084 [0,1,0,0,0,0|0,0,0]=1 103 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 B60538 [0,1,0,0,0,0|1,0,0]=2 104 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 B12709 [0,1,0,0,0,0|1,0,0]=2 105 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 C50770 [0,1,0,0,0,0|1,0,0]=2 106 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F4742 [0,1,0,0,0,0|0,0,0]=1 107 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 F63917 [0,1,0,0,0,0|1,0,0]=2 108 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [0,1,0,0,0,0|0,0,0]=1 109 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [0,1,0,0,0,0|0,0,0]=1 110 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 B12681 [0,1,0,0,0,0|1,0,0]=2 112 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=N2)N1 B14108 [0,1,0,0,0,0|1,0,0]=2 113 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [0,1,0,0,0,0|0,0,0]=1 114 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [0,1,0,0,0,0|1,0,0]=2 115 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C12532 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C4191 [0,1,0,0,0,0|1,0,0]=2 117 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [0,1,0,0,0,0|0,0,0]=1 118 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [0,1,0,0,0,0|1,0,0]=2 119 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 C4190 [0,1,0,0,0,0|1,0,0]=2 120 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B1666 [0,1,0,0,0,0|1,0,0]=2 121 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B17676 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 B17936 [0,1,0,0,0,0|2,0,0]=3 123 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 B47577 [0,1,0,0,0,0|1,0,0]=2 124 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 C4188 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 F12411 [0,1,0,0,0,0|1,0,0]=2 126 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 B7995 [0,1,0,0,0,0|1,0,0]=2 127 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 C7929 [0,1,0,0,0,0|1,0,0]=2 128 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=C1 B61317 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 B7464 [0,1,0,0,0,0|1,0,1]=3 130 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=NC2=N1 B63833 [0,1,0,0,0,0|2,0,1]=4 131 B14R2.4529 O=C(O)C1=CN2C=C(Br)N=CC2=N1 B9818 [0,1,0,0,0,0|2,0,1]=4 132 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 C47583 [0,1,0,0,0,0|1,0,1]=3 133 B14R2.4529 O=C(O)C1=CN2C=C(F)C=CC2=N1 F47596 [0,1,0,0,0,0|1,0,1]=3 134 B14R2.4529 O=C(O)C1=CN2C=C(O)C=CC2=N1 H63800 [0,1,0,0,0,0|1,0,1]=3 135 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 B11318 [0,1,0,0,0,0|1,0,1]=3 136 B14R2.4529 O=C(O)C1=CN2C=CC(F)=CC2=N1 F47597 [0,1,0,0,0,0|1,0,1]=3 137 B14R2.4529 O=C(O)C1=CN2N=C(Cl)C=CC2=N1 C9507 [0,1,0,0,0,0|2,0,1]=4 138 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 B13968 [0,1,0,0,0,0|1,0,1]=3 139 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 B5840 [0,1,0,0,0,0|1,0,0]=2 140 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 B13966 [0,1,0,0,0,0|1,0,1]=3 141 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 C60432 [0,1,0,0,0,0|1,0,1]=3 142 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 C26613 [0,1,0,0,0,0|2,0,0]=3 143 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 B1718 [0,1,0,0,0,0|1,0,1]=3 144 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 C5621 [0,1,0,0,0,0|1,0,1]=3 145 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 B11335 [0,1,0,0,0,0|1,0,1]=3 146 B14R2.4529 OB(O)C1=CC2=C(C=C(Cl)C=C2)S1 C61577 [0,1,0,0,0,0|2,0,1]=4 147 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)O1 B48210 [0,1,0,0,0,0|2,0,1]=4 148 B14R2.4529 OB(O)C1=CC2=C(C=CC(Cl)=C2)O1 C48211 [0,1,0,0,0,0|2,0,1]=4 149 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 F39049 [0,1,0,0,0,0|2,0,1]=4 150 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 M21986 [0,1,0,0,0,0|0,0,0]=1 151 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 M21818 [0,1,0,0,0,0|1,0,0]=2 152 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 M21988 [0,1,0,0,0,0|0,0,0]=1 153 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 M26199 [0,1,0,0,0,0|1,0,1]=3 154 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 B37796 [0,1,0,0,0,0|0,0,0]=1 155 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 B12683 [0,1,0,0,0,0|1,0,0]=2 156 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 B47576 [0,1,0,0,0,0|1,0,0]=2 157 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 F47408 [0,1,0,0,0,0|2,0,0]=3 158 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 C22565 [0,1,0,0,0,0|1,0,0]=2 159 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 C1667 [0,1,0,0,0,0|1,0,0]=2 160 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F23500 [0,1,0,0,0,0|0,0,0]=1 161 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 C25890 [0,1,0,0,0,0|1,0,0]=2 162 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H51211 [0,1,0,0,0,0|0,0,0]=1 163 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 C0445 [0,1,0,0,0,0|2,0,0]=3 164 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 C11228 [0,1,0,0,0,0|3,0,0]=4 165 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 B47389 [0,1,0,0,0,0|2,0,0]=3 166 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 B50868 [0,1,0,0,0,0|0,0,0]=1 167 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 B9974 [0,1,0,0,0,0|1,0,0]=2 168 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 B12710 [0,1,0,0,0,0|1,0,0]=2 169 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 C50879 [0,1,0,0,0,0|0,0,0]=1 170 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 C26344 [0,1,0,0,0,0|1,0,0]=2 171 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [0,1,0,0,0,0|0,0,0]=1 172 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 C12289 [0,1,0,0,0,0|2,0,0]=3 173 B14R2.7969 O=C(O)C1=CN2C(Br)=CC=CC2=N1 B7537 [0,1,0,0,0,0|1,0,1]=3 174 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 B14171 [0,1,0,0,0,0|1,0,1]=3 175 B14R2.7969 O=C(O)C1=NC2=C(Br)C=CC=C2S1 B13967 [0,1,0,0,0,0|1,0,1]=3 176 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 F61527 [0,1,0,0,0,0|1,0,1]=3 177 B14R2.7969 O=C(O)C1=NC2=CC=CC(Br)=C2S1 B13969 [0,1,0,0,0,0|1,0,1]=3 178 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 B14200 [0,1,0,0,0,0|1,0,1]=3 179 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 B14202 [0,1,0,0,0,0|1,0,1]=3 180 B14R2.7969 O=C(O)C1=NN2C=CC=C(Cl)C2=C1 C60465 [0,1,0,0,0,0|1,0,1]=3 181 B14R2.7969 O=C(O)[C@H]1CC2=C(C1)C(O)=CC=C2 H52463 [0,1,0,0,0,0|1,0,2]=4 182 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,0,1,0,0,0|1,0,0]=2 183 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,0,1,0,0,0|1,0,2]=4 184 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,0,1,0,0,0|2,0,0]=3 185 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,0,1,0,0,0|1,0,2]=4 186 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,0,1,0,0,0|0,0,2]=3 187 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,0,1,0,0,0|0,0,2]=3 188 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,0,1,0,0,0|1,0,2]=4 189 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,0,1,0,0,0|1,0,2]=4 190 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,0,1,0,0,0|1,0,2]=4 191 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,0,1,0,0,0|1,0,2]=4 192 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,0,1,0,0,0|1,0,2]=4 193 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,0,1,0,0,0|1,0,2]=4 194 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,0,1,0,0,0|1,0,2]=4 195 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,0,1,0,0,0|1,0,2]=4 196 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,0,1,0,0,0|1,0,2]=4 197 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,0,1,0,0,0|1,0,0]=2 198 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,0,1,0,0,0|1,0,2]=4 199 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,0,1,0,0,0|1,0,2]=4 200 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,0,1,0,0,0|1,0,2]=4 201 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,0,1,0,0,0|1,0,2]=4 202 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,0,1,0,0,0|1,0,2]=4 203 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,0,1,0,0,0|1,0,2]=4 204 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,0,1,0,0,0|2,0,1]=4 205 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,0,1,0,0,0|2,0,1]=4 206 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,0,1,0,0,0|1,0,0]=2 207 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,0,1,0,0,0|1,0,0]=2 208 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,0,1,0,0,0|1,0,0]=2 209 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,0,1,0,0,0|1,0,0]=2 210 B12R1.125 O=[N+]([O-])C=CC1=C(Cl)C=CC=C1 C47994 [0,0,1,0,0,0|2,0,1]=4 211 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 C47995 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 F61821 [0,0,1,0,0,0|2,0,1]=4 213 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 T44620 [0,0,0,0,1,0|2,0,0]=3 214 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 K42119 [0,0,0,0,1,0|3,0,0]=4 215 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 K42120 [0,0,0,0,1,0|2,0,1]=4 216 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 I38816 [0,0,0,0,0,1|0,0,0]=1 217 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 B53803 [0,0,0,0,0,1|1,0,0]=2 218 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 B37433 [0,0,0,0,0,1|1,0,0]=2 219 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 N64544 [0,0,0,0,0,1|2,0,0]=3 220 B14R2.781 CC(=O)C1=NC2=CC=CC=C2N=C1 Q63133 [0,0,0,0,0,1|1,0,1]=3 221 B14R2.781 N=C(N)C1=NC2=CC=CC=C2C=C1 Q36993 [0,0,0,0,0,1|2,0,1]=4 222 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 N69496 [0,0,0,0,0,1|2,0,0]=3 223 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 I3901 [0,0,0,0,0,1|0,0,1]=2 224 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 Q9606 [0,0,0,0,0,1|0,0,1]=2 225 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 Q53568 [0,0,0,0,0,1|0,0,1]=2 226 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q4615 [0,0,0,0,0,1|2,0,0]=3 227 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 N50816 [0,0,0,0,0,1|1,0,1]=3 228 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 Q9590 [0,0,0,0,0,1|2,0,0]=3 229 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 N7542 [0,0,0,0,0,1|1,0,1]=3 230 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 N64834 [0,0,0,0,0,1|1,0,1]=3 231 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 Q0162 [0,0,0,0,0,1|3,0,0]=4 232 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 Q16429 [0,0,0,0,0,1|2,0,0]=3 233 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 Q50814 [0,0,0,0,0,1|3,0,0]=4 234 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 Q7238 [0,0,0,0,0,1|3,0,0]=4 235 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 Q67454 [0,0,0,0,0,1|0,0,1]=2 236 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 N12774 [0,0,0,0,0,1|1,0,1]=3 237 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 N22131 [0,0,0,0,0,1|1,0,1]=3 238 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 N50815 [0,0,0,0,0,1|1,0,1]=3 239 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 P64908 [0,0,0,0,0,1|0,0,2]=3 240 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T54113 [0,0,0,0,0,1|0,0,2]=3 241 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T67672 [0,0,0,0,0,1|0,0,2]=3 242 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [0,0,0,0,0,1|0,0,2]=3 243 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,0,0,0,0,1|1,0,2]=4 244 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 T64049 [0,0,0,0,0,1|0,0,2]=3 245 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,0,0,0,0,1|1,0,2]=4 246 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T52580 [0,0,0,0,0,1|0,0,2]=3 247 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [0,0,0,0,0,1|1,0,2]=4 248 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 N4700 [0,0,0,0,0,1|2,0,1]=4 249 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 Q5136 [0,0,0,0,0,1|1,0,2]=4 250 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [1,0,1,0,0,0|2,0,0]=4 251 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,1,0,0,0|1,0,0]=3 253 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,1,0,0,0|1,0,0]=3 254 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,1,0,0,0|0,0,2]=4 255 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [1,0,1,0,0,0|1,0,0]=3 256 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [1,0,1,0,0,0|1,0,0]=3 257 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,1,0,0,0|0,0,1]=3 258 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,1,0,0,0|1,0,1]=4 259 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,1,0,0,0|0,0,0]=2 260 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [1,0,1,0,0,0|1,0,0]=3 261 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [1,0,1,0,0,0|1,0,0]=3 262 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [1,0,1,0,0,0|1,0,1]=4 263 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [1,0,1,0,0,0|1,0,0]=3 264 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [2,0,0,0,0,0|2,0,0]=4 265 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [2,0,0,0,0,0|2,0,0]=4 266 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [2,0,0,0,0,0|2,0,0]=4 267 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 B69716 [2,0,0,0,0,0|2,0,0]=4 268 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 B16458 [2,0,0,0,0,0|2,0,0]=4 269 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [2,0,0,0,0,0|2,0,0]=4 270 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [2,0,0,0,0,0|1,0,1]=4 271 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [2,0,0,0,0,0|0,0,1]=3 272 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [2,0,0,0,0,0|1,0,1]=4 273 B11R2.10 CC1=CC2=C(C=CN=C2)N1 M14784 [2,0,0,0,0,0|1,0,1]=4 274 B11R2.10 CC1=CC2=C(C=NC=C2)N1 M12631 [2,0,0,0,0,0|1,0,1]=4 275 B11R2.10 CC1=CC2=CC=CN=C2N1 M0598 [2,0,0,0,0,0|1,0,1]=4 276 B11R2.10 CC1=CC2=NC=CC=C2N1 M25103 [2,0,0,0,0,0|1,0,1]=4 277 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [2,0,0,0,0,0|1,0,0]=3 278 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [2,0,0,0,0,0|2,0,0]=4 279 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [2,0,0,0,0,0|1,0,0]=3 280 B11R2.10 IC1=CC2=C(C=CN=C2)N1 I37324 [2,0,0,0,0,0|2,0,0]=4 281 B11R2.10 IC1=CC2=C(N=CC=C2)N1 I8108 [2,0,0,0,0,0|2,0,0]=4 282 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [2,0,0,0,0,0|2,0,0]=4 283 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [2,0,0,0,0,0|2,0,0]=4 284 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [2,0,0,0,0,0|1,0,0]=3 285 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [2,0,0,0,0,0|1,0,1]=4 286 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [2,0,0,0,0,0|1,0,1]=4 287 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [2,0,0,0,0,0|1,0,1]=4 288 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [2,0,0,0,0,0|1,0,1]=4 289 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [2,0,0,0,0,0|1,0,1]=4 290 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [2,0,0,0,0,0|1,0,1]=4 291 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [2,0,0,0,0,0|1,0,0]=3 292 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [2,0,0,0,0,0|2,0,0]=4 293 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [2,0,0,0,0,0|2,0,0]=4 294 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [2,0,0,0,0,0|2,0,0]=4 295 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [2,0,0,0,0,0|2,0,0]=4 296 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [2,0,0,0,0,0|2,0,0]=4 297 B11R2.10 OC1=CN2C=CC=CC2=N1 K45215 [2,0,0,0,0,0|1,0,1]=4 298 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [2,0,0,0,0,0|1,1,0]=4 299 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [2,0,0,0,0,0|1,1,0]=4 300 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [0,1,1,0,0,0|0,0,2]=4 301 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [0,1,1,0,0,0|0,0,2]=4 302 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A52242 [0,1,1,0,0,0|1,0,1]=4 303 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [0,1,1,0,0,0|0,0,2]=4 304 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [0,1,1,0,0,0|0,0,2]=4 305 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [0,1,1,0,0,0|0,0,2]=4 306 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [0,1,1,0,0,0|0,0,2]=4 307 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [0,1,1,0,0,0|0,0,2]=4 308 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [0,1,1,0,0,0|0,0,2]=4 309 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [0,1,1,0,0,0|0,0,2]=4 310 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [0,1,1,0,0,0|0,0,2]=4 311 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [0,1,1,0,0,0|0,0,2]=4 312 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [0,1,1,0,0,0|0,0,2]=4 313 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [0,1,1,0,0,0|0,0,2]=4 314 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [0,1,1,0,0,0|0,0,2]=4 315 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [0,1,1,0,0,0|0,0,2]=4 316 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [0,1,1,0,0,0|0,0,2]=4 317 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [0,1,1,0,0,0|0,0,2]=4 318 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 C24234 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,1,1,0,0,0|0,0,2]=4 320 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52953 [0,1,1,0,0,0|0,0,2]=4 321 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 M52937 [0,1,1,0,0,0|0,0,2]=4 322 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52254 [0,1,1,0,0,0|0,0,2]=4 323 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O A68969 [0,1,1,0,0,0|0,0,2]=4 324 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O T67429 [0,1,1,0,0,0|0,0,2]=4 325 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O A37859 [0,1,1,0,0,0|0,0,2]=4 326 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O B67992 [0,1,1,0,0,0|0,0,2]=4 327 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O A61471 [0,1,1,0,0,0|0,0,2]=4 328 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O F49826 [0,1,1,0,0,0|0,0,2]=4 329 B13R1.148 N[C@H](CC1=CC=CC(Br)=C1)C(=O)O A67546 [0,1,1,0,0,0|0,0,2]=4 330 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O A68296 [0,1,1,0,0,0|0,0,2]=4 331 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O A60702 [0,1,1,0,0,0|0,0,2]=4 332 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 A52962 [0,1,1,0,0,0|0,0,2]=4 333 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52954 [0,1,1,0,0,0|0,0,2]=4 334 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A61938 [0,1,1,0,0,0|0,0,2]=4 335 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O A49818 [0,1,1,0,0,0|0,0,2]=4 336 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O A52126 [0,1,1,0,0,0|0,0,2]=4 337 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O A49838 [0,1,1,0,0,0|0,0,2]=4 338 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O M37956 [0,1,1,0,0,0|0,0,2]=4 339 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A52956 [0,1,1,0,0,0|0,0,2]=4 340 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A54162 [0,1,1,0,0,0|0,0,2]=4 341 B13R1.90 COC1=C(C=CC(=O)O)C=CC=C1 M39590 [0,1,1,0,0,0|1,0,0]=3 342 B13R1.90 O=CC1=C(C=CC(=O)O)C=CC=C1 F53805 [0,1,1,0,0,0|1,0,0]=3 343 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 F67142 [0,1,1,0,0,0|1,0,1]=4 344 B13R1.150 O=C(O)C=CC1=CC=CC(Cl)=C1F C50978 [0,1,1,0,0,0|1,0,0]=3 345 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 D61904 [0,1,1,0,0,0|1,0,0]=3 346 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 D69477 [0,1,1,0,0,0|1,0,0]=3 347 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1 C50979 [0,1,1,0,0,0|1,0,0]=3 348 B13R1.528 COC(=O)C=CC1=C(N)C=CC=C1 M52562 [0,1,1,0,0,0|0,0,0]=2 349 B13R1.893 CC1=CC(C=CC(=O)O)=C(C)C=C1 D54556 [0,1,1,0,0,0|1,0,0]=3 350 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 B61684 [0,1,1,0,0,0|1,0,0]=3 351 B13R1.3787 O=C(O)C=CC1=C(Cl)C=CC=C1Cl D39564 [0,1,1,0,0,0|1,0,0]=3 352 B13R2.26 NCCC1=CC2=C(C=CC=C2)N1 K52682 [1,1,0,0,0,0|1,0,1]=4 353 B13R2.43 CC1=CC2=C(C=C1)C=C(C#N)N2 M53634 [1,1,0,0,0,0|1,0,1]=4 354 B13R2.43 CC1=CC2=C(C=C1)N=C(CO)N2 M49728 [1,1,0,0,0,0|1,0,1]=4 355 B13R2.43 CC1=CN2C=C(C=O)N=C2C=C1 M51366 [1,1,0,0,0,0|1,0,1]=4 356 B13R2.43 N#CC1=CC2=C(C=CC(Br)=C2)N1 B50666 [1,1,0,0,0,0|1,0,1]=4 357 B13R2.43 NCC1=CC2=C(C=CC(Cl)=C2)N1 C51680 [1,1,0,0,0,0|1,0,1]=4 358 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)N1 B5218 [1,1,0,0,0,0|0,0,0]=2 359 B13R2.43 O=CC1=CC2=C(C=C(Cl)C=C2)N1 C50939 [1,1,0,0,0,0|0,0,0]=2 360 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)N1 B64748 [1,1,0,0,0,0|0,0,0]=2 361 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 B63212 [1,1,0,0,0,0|1,0,0]=3 362 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=C2)N1 C50938 [1,1,0,0,0,0|0,0,0]=2 363 B13R2.43 O=CC1=CN2C=C(Br)C=CC2=N1 B14166 [1,1,0,0,0,0|1,0,1]=4 364 B13R2.43 O=CC1=CN2C=CC(Br)=CC2=N1 B7939 [1,1,0,0,0,0|1,0,1]=4 365 B13R2.43 O=CC1=NC2=C(C=C(F)C=C2)N1 F47620 [1,1,0,0,0,0|1,0,0]=3 366 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)N1 B51508 [1,1,0,0,0,0|0,0,1]=3 367 B13R2.43 OCC1=CC2=C(C=C(Cl)C=C2)N1 C51523 [1,1,0,0,0,0|0,0,1]=3 368 B13R2.43 OCC1=CC2=CC(Br)=CN=C2N1 B48368 [1,1,0,0,0,0|1,0,1]=4 369 B13R2.43 OCC1=NC2=C(C=C(Cl)C=C2)N1 C48372 [1,1,0,0,0,0|1,0,1]=4 370 B13R2.43 OCC1=NC2=C(C=CC(Br)=C2)N1 H24155 [1,1,0,0,0,0|1,0,1]=4 371 B13R2.43 OCC1=NC2=C(C=CC(F)=C2)N1 F48376 [1,1,0,0,0,0|1,0,1]=4 372 B13R2.45 CC1=C(C#N)NC2=C1C=CC=C2 M53633 [1,1,0,0,0,0|1,0,1]=4 373 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 M61458 [1,1,0,0,0,0|0,0,0]=2 374 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 M53796 [1,1,0,0,0,0|1,0,0]=3 375 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 M53907 [1,1,0,0,0,0|0,0,0]=2 376 B13R2.45 CN1C(C=O)=CC2=C1N=CC=C2 M19102 [1,1,0,0,0,0|1,0,0]=3 377 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 M28682 [1,1,0,0,0,0|1,0,0]=3 378 B13R2.54 N#CC1=CC2=CC=CC(Cl)=C2N1 C50670 [1,1,0,0,0,0|1,0,1]=4 379 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2N1 B32055 [1,1,0,0,0,0|0,0,0]=2 380 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2S1 B63343 [1,1,0,0,0,0|1,0,0]=3 381 B13R2.54 O=CC1=CC2=NC=CC(Cl)=C2S1 C12672 [1,1,0,0,0,0|2,0,0]=4 382 B13R2.54 O=CC1=CN2C(Br)=CC=CC2=N1 B7536 [1,1,0,0,0,0|1,0,1]=4 383 B13R2.54 O=CC1=CN2C(Cl)=CC=CC2=N1 C63625 [1,1,0,0,0,0|1,0,1]=4 384 B13R2.54 O=CC1=CN2C=CC=C(Br)C2=N1 B14167 [1,1,0,0,0,0|1,0,1]=4 385 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 M48494 [0,1,0,0,1,0|1,0,0]=3 386 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 M48493 [0,1,0,0,1,0|1,0,0]=3 387 B13R2.531 COC(=O)C1=CC2=CSC=C2S1 M48207 [0,1,0,0,1,0|2,0,0]=4 388 B13R2.3678 O=C(O)C1=CC2=C(CCC2=O)N1 X37622 [0,1,0,0,1,0|0,0,2]=4 389 B13R2.15272 COC(=O)[C@@H]1CC2=C1C=CC=C2 M52443 [0,1,0,0,1,0|0,0,2]=4 390 B15R2.7252 O=C(O)CC1=CN2C=C(Br)C=CC2=N1 B61510 [0,1,0,0,0,1|1,0,1]=4 391 B15R2.627 NC(=O)C1=C(N)C2=CC=CC=C2N=N1 A51444 [0,1,0,0,0,1|1,0,1]=4 392 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 A55352 [0,1,0,0,0,1|1,0,0]=3 393 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 B55199 [0,1,0,0,0,1|1,0,0]=3 394 B15R2.627 O=C(O)C1=CNC2=C(C=CC=C2)C1=O X19144 [0,1,0,0,0,1|0,0,0]=2 395 B15R2.627 O=C(O)C1=COC2=C(C=CC=C2)C1=O X68823 [0,1,0,0,0,1|1,0,0]=3 396 B15R2.984 CN1CC2=C(C=CC=C2)C[C@H]1C(=O)O M54648 [0,1,0,0,0,1|0,0,2]=4 397 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1N A54266 [0,1,0,0,0,1|2,0,0]=4 398 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O A55353 [0,1,0,0,0,1|1,0,0]=3 399 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O X12282 [0,1,0,0,0,1|0,0,0]=2 400 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O H68929 [0,1,0,0,0,1|1,0,0]=3 401 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl C25139 [0,1,0,0,0,1|0,0,1]=3 402 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O X50830 [0,1,0,0,0,1|1,0,0]=3 403 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=C1 M55608 [0,1,0,0,0,1|1,0,0]=3 404 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 M55365 [0,1,0,0,0,1|0,0,1]=3 405 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 M55359 [0,1,0,0,0,1|0,0,1]=3 406 B15R2.1601 COC(=O)C1=CC2=CC=CN=C2C=C1 M55361 [0,1,0,0,0,1|2,0,0]=4 407 B15R2.1601 COC(=O)C1=CC2=CC=NC=C2C=C1 M60882 [0,1,0,0,0,1|2,0,0]=4 408 B15R2.1601 COC(=O)C1=CC2=NC=CC=C2C=C1 M67598 [0,1,0,0,0,1|2,0,0]=4 409 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 M55358 [0,1,0,0,0,1|0,0,1]=3 410 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 M53659 [0,1,0,0,0,1|0,0,1]=3 411 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 M55465 [0,1,0,0,0,1|0,0,2]=4 412 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 M55469 [0,1,0,0,0,1|0,0,2]=4 413 B15R2.1601 COC(=O)[C@H]1CC2=C(C=CC=C2)CN1 M55468 [0,1,0,0,0,1|0,0,2]=4 414 B15R2.7174 NC(=O)C1=CN=C2C=CC(Br)=CC2=C1 B53532 [0,1,0,0,0,1|1,0,1]=4 415 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 C53606 [0,1,0,0,0,1|1,0,0]=3 416 B15R2.7174 O=C(O)C1=CC2=CC(O)=CN=C2C=C1 H53578 [0,1,0,0,0,1|2,0,0]=4 417 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=C1 B61312 [0,1,0,0,0,1|1,0,0]=3 418 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=N1 B53451 [0,1,0,0,0,1|0,0,1]=3 419 B15R2.7174 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1 B25451 [0,1,0,0,0,1|0,0,1]=3 420 B15R2.7174 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1 C53463 [0,1,0,0,0,1|0,0,1]=3 421 B15R2.7174 O=C(O)C1=NC=C2C=CC(Br)=CC2=C1 B38195 [0,1,0,0,0,1|0,0,1]=3 422 B15R2.7174 O=C(O)[C@@H]1CC2=C(C=CC(O)=C2)CN1 H15604 [0,1,0,0,0,1|0,0,2]=4 423 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 A61707 [0,1,0,0,0,1|2,0,0]=4 424 B15R2.7180 CC(=O)C1=CC=C2C=C(Br)C=CC2=C1 B56547 [0,1,0,0,0,1|2,0,0]=4 425 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=CC2=N1 M4771 [0,1,0,0,0,1|2,0,0]=4 426 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=C1 A55355 [0,1,0,0,0,1|1,0,0]=3 427 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 H21704 [0,1,0,0,0,1|1,0,0]=3 428 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 B0909 [0,1,0,0,0,1|1,0,0]=3 429 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=N1 B53449 [0,1,0,0,0,1|0,0,1]=3 430 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1 C55207 [0,1,0,0,0,1|1,0,0]=3 431 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=N1 C53462 [0,1,0,0,0,1|0,0,1]=3 432 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=N1 F53469 [0,1,0,0,0,1|0,0,1]=3 433 B15R2.7180 O=C(O)C1=CN=C2C=C(Br)C=CC2=C1 B26251 [0,1,0,0,0,1|0,0,1]=3 434 B15R2.7180 O=C(O)C1=CN=C2C=C(Cl)C=CC2=N1 C59625 [0,1,0,0,0,1|0,0,1]=3 435 B15R2.7180 O=C(O)C1=NC2=CC=C(O)C=C2C=C1 H25229 [0,1,0,0,0,1|0,0,1]=3 436 B15R2.7180 O=C(O)C1=NC=C2C=C(Cl)C=NC2=C1 C59745 [0,1,0,0,0,1|1,0,1]=4 437 B15R2.7180 O=C(O)[C@@H]1CC2=C(C=C(O)C=C2)CN1 H37020 [0,1,0,0,0,1|0,0,2]=4 438 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(O)C=C2)CN1 H65788 [0,1,0,0,0,1|0,0,2]=4 439 B15R2.7180 O=C1C=CC2=C(C=CC(C(=O)O)=C2)O1 X53494 [0,1,0,0,0,1|2,0,0]=4 440 B15R2.13598 CC(=O)C1=CC2=CC=CC(C)=C2N=C1 M60157 [0,1,0,0,0,1|1,0,1]=4 441 B15R2.13598 NC1=C2N=CC(C(=O)O)=CC2=CC=C1 A53661 [0,1,0,0,0,1|0,0,1]=3 442 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)C=CN2 X38988 [0,1,0,0,0,1|2,0,0]=4 443 B15R2.13598 O=C(O)C1=CC2=NC=CC(O)=C2C=C1 H53579 [0,1,0,0,0,1|2,0,0]=4 444 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 B55200 [0,1,0,0,0,1|1,0,0]=3 445 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=N1 B53447 [0,1,0,0,0,1|0,0,1]=3 446 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 C55206 [0,1,0,0,0,1|1,0,0]=3 447 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=N1 C53461 [0,1,0,0,0,1|0,0,1]=3 448 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 B53454 [0,1,0,0,0,1|0,0,1]=3 449 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 B53459 [0,1,0,0,0,1|0,0,1]=3 450 B15R2.13598 O=C(O)C1=NC2=CC=CC(O)=C2C=C1 X29672 [0,1,0,0,0,1|0,0,1]=3 451 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(O)=C1 H64302 [0,1,0,0,0,1|1,0,0]=3 452 B15R2.14951 O=C(O)C1=CC2=CC=CN=C2C(O)=C1 H53580 [0,1,0,0,0,1|2,0,0]=4 453 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Br)=C1 B53446 [0,1,0,0,0,1|0,0,1]=3 454 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(Br)C2=N1 B53453 [0,1,0,0,0,1|0,0,1]=3 455 B15R2.61353 O=C(O)C1=CC=C2C=NC=C(Br)C2=C1 B27845 [0,1,0,0,0,1|2,0,0]=4 456 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 B36819 [0,1,0,0,0,1|2,0,0]=4 457 B15R2.61353 O=C(O)C1=NC2=C(O)C=CC=C2C=C1 H61954 [0,1,0,0,0,1|0,0,1]=3 458 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=C2)N1 M61633 [0,2,0,0,0,0|0,0,0]=2 459 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)O1 M53966 [0,2,0,0,0,0|1,0,0]=3 460 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)S1 M53950 [0,2,0,0,0,0|1,0,0]=3 461 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=N2)S1 M4050 [0,2,0,0,0,0|2,0,0]=4 462 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CN=C2)S1 M51409 [0,2,0,0,0,0|2,0,0]=4 463 B15R2.1592 COC(=O)C1=C(N)C2=C(C=NC=C2)S1 M16602 [0,2,0,0,0,0|2,0,0]=4 464 B15R2.1592 COC(=O)C1=C(N)C2=CC=CN=C2S1 M3613 [0,2,0,0,0,0|2,0,0]=4 465 B15R2.1592 COC(=O)[C@@H]1CC2=C(C=CC=C2)C1=O M36762 [0,2,0,0,0,0|1,0,1]=4 466 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Br)C=C2 B53752 [0,2,0,0,0,0|0,0,0]=2 467 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2C)C=C1 D52325 [0,2,0,0,0,0|1,0,1]=4 468 B15R2.7203 CN1C(C(=O)O)=CC2=C1C=C(F)C=C2 F26258 [0,2,0,0,0,0|0,0,0]=2 469 B15R2.13463 CN1C(C(=O)O)=CC2=C(F)C=CC=C21 F53766 [0,2,0,0,0,0|0,0,0]=2 470 B15R2.13463 CN1C(C(=O)O)=CC2=C1N=CN=C2Cl C1694 [0,2,0,0,0,0|2,0,0]=4 471 B15R2.13463 O=C(O)C1=C(O)C2=CC=CC(Cl)=C2S1 C50781 [0,2,0,0,0,0|1,0,0]=3 472 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(Cl)=C2 C67786 [0,2,0,0,0,0|0,0,0]=2 473 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 E23375 [0,2,0,0,0,0|0,0,0]=2 474 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)O1 E1007 [0,2,0,0,0,0|1,0,0]=3 475 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=N2)N1 E1704 [0,2,0,0,0,0|1,0,0]=3 476 B15R2.1356 CCOC(=O)C1=CC2=C(C=CN=C2)N1 E4185 [0,2,0,0,0,0|1,0,0]=3 477 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)N1 E1705 [0,2,0,0,0,0|1,0,0]=3 478 B15R2.1356 CCOC(=O)C1=CC2=C(N=CC=C2)N1 E9678 [0,2,0,0,0,0|1,0,0]=3 479 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2S1 E12731 [0,2,0,0,0,0|2,0,0]=4 480 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 E8609 [0,2,0,0,0,0|1,0,1]=4 481 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)N1 E52314 [0,2,0,0,0,0|1,0,0]=3 482 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 E53949 [0,2,0,0,0,0|1,0,1]=4 483 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)N1 M11995 [0,2,0,0,0,0|0,0,0]=2 484 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)S1 M53595 [0,2,0,0,0,0|1,0,0]=3 485 B15R2.1590 COC(=O)C1=CC2=C(C=C(C)C=C2)O1 M54352 [0,2,0,0,0,0|1,0,0]=3 486 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=C2)S1 M53597 [0,2,0,0,0,0|1,0,0]=3 487 B15R2.1590 COC(=O)C1=CC2=C(C=C(F)C=C2)S1 M63881 [0,2,0,0,0,0|1,0,0]=3 488 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)S1 M12680 [0,2,0,0,0,0|1,0,0]=3 489 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)N1 M38396 [0,2,0,0,0,0|0,0,0]=2 490 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)O1 M66662 [0,2,0,0,0,0|1,0,0]=3 491 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)S1 M53951 [0,2,0,0,0,0|1,0,0]=3 492 B15R2.1590 COC(=O)C1=CC2=C(N=C(Cl)C=C2)N1 M0363 [0,2,0,0,0,0|1,0,0]=3 493 B15R2.1590 COC(=O)C1=CC2=C(N=CC(N)=C2)N1 M15449 [0,2,0,0,0,0|1,0,0]=3 494 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2N1 M0361 [0,2,0,0,0,0|1,0,0]=3 495 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=CN=C2N1 M5235 [0,2,0,0,0,0|1,0,0]=3 496 B15R2.1590 COC(=O)C1=CC2=CC(F)=CN=C2N1 M7255 [0,2,0,0,0,0|1,0,0]=3 497 B15R2.1590 COC(=O)C1=CC2=NC=C(Br)C=C2N1 M10898 [0,2,0,0,0,0|1,0,0]=3 498 B15R2.1590 COC(=O)C1=CC2=NC=C(Cl)C=C2N1 M7928 [0,2,0,0,0,0|1,0,0]=3 499 B15R2.1590 COC(=O)C1=CN2C=C(Br)C=CC2=N1 B3451 [0,2,0,0,0,0|1,0,1]=4 500 B15R2.1590 COC(=O)C1=CN2C=CC(Br)=CC2=N1 B5073 [0,2,0,0,0,0|1,0,1]=4 501 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)O1 M50897 [0,2,0,0,0,0|1,0,1]=4 502 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)S1 M50871 [0,2,0,0,0,0|1,0,1]=4 503 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)O1 M50896 [0,2,0,0,0,0|1,0,1]=4 504 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)S1 M62208 [0,2,0,0,0,0|1,0,1]=4 505 B15R2.1590 COC(=O)C1=NC2=C(C=CC(C)=C2)O1 M53967 [0,2,0,0,0,0|1,0,1]=4 506 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Cl)=C2)O1 M50898 [0,2,0,0,0,0|1,0,1]=4 507 B15R2.1590 COC(=O)C1=NC2=C(C=CC(N)=C2)N1 M52226 [0,2,0,0,0,0|1,0,0]=3 508 B15R2.1590 COC(=O)C1=NN2C=C(Cl)C=CC2=C1 C5724 [0,2,0,0,0,0|1,0,1]=4 509 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2S1 M12682 [0,2,0,0,0,0|1,0,0]=3 510 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CN=C2N1 M27049 [0,2,0,0,0,0|1,0,0]=3 511 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2S1 M8135 [0,2,0,0,0,0|2,0,0]=4 512 B15R2.1598 COC(=O)C1=CC2=C(C=CN=C2Cl)N1 M2963 [0,2,0,0,0,0|1,0,0]=3 513 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CC=C2N1 M53757 [0,2,0,0,0,0|0,0,0]=2 514 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CN=C2N1 M3345 [0,2,0,0,0,0|1,0,0]=3 515 B15R2.1598 COC(=O)C1=CC2=C(F)C=CC=C2N1 M16693 [0,2,0,0,0,0|0,0,0]=2 516 B15R2.1598 COC(=O)C1=CC2=C(I)C=CC=C2S1 M53603 [0,2,0,0,0,0|1,0,0]=3 517 B15R2.1598 COC(=O)C1=CC2=C(N=CN=C2Cl)N1 C0218 [0,2,0,0,0,0|2,0,0]=4 518 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Br)=NC=C2 M50872 [0,2,0,0,0,0|2,0,0]=4 519 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2N1 M53748 [0,2,0,0,0,0|0,0,0]=2 520 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2S1 M12711 [0,2,0,0,0,0|1,0,0]=3 521 B15R2.1598 COC(=O)C1=CC2=CC=CC(Cl)=C2S1 M66035 [0,2,0,0,0,0|1,0,0]=3 522 B15R2.1598 COC(=O)C1=CC2=CC=CC(F)=C2N1 M37385 [0,2,0,0,0,0|0,0,0]=2 523 B15R2.1598 COC(=O)C1=CC2=CC=CC(N)=C2S1 M53952 [0,2,0,0,0,0|1,0,0]=3 524 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2N1 M12945 [0,2,0,0,0,0|1,0,0]=3 525 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2S1 M12673 [0,2,0,0,0,0|2,0,0]=4 526 B15R2.1598 COC(=O)C1=CN2C(Br)=CC=CC2=N1 B3450 [0,2,0,0,0,0|1,0,1]=4 527 B15R2.1102 O=C(O)C1=CC2=C(C=C(O)C(O)=C2)N1 D39081 [0,2,0,0,0,0|0,0,0]=2 528 B15R2.1102 O=C(O)C1=CC2=CC(Br)=C(Cl)C=C2N1 B50748 [0,2,0,0,0,0|0,0,0]=2 529 B15R2.1102 O=C(O)C1=CN2C=C(F)C(Br)=CC2=N1 B59796 [0,2,0,0,0,0|1,0,1]=4 530 B15R2.1102 O=C(O)C1=CN2C=C(F)C(Cl)=CC2=N1 C59742 [0,2,0,0,0,0|1,0,1]=4 531 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 M53961 [0,2,0,0,0,0|0,0,0]=2 532 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 M23681 [0,2,0,0,0,0|0,0,0]=2 533 B15R2.4834 COC1=CC2=C(C=C1)OC(C(=O)O)=C2 M16085 [0,2,0,0,0,0|1,0,0]=3 534 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 M3997 [0,2,0,0,0,0|1,0,0]=3 535 B15R2.4834 COC1=CN2C=C(C(=O)O)N=C2C=C1 M51421 [0,2,0,0,0,0|1,0,1]=4 536 B15R2.4834 N#CC1=CC2=C(C=C1)NC(C(=O)O)=C2 C21738 [0,2,0,0,0,0|0,0,0]=2 537 B15R2.7254 CC1=C(Br)C=CC2=C1C=C(C(=O)O)N2 B61173 [0,2,0,0,0,0|0,0,0]=2 538 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(F)C=C2S1 B65615 [0,2,0,0,0,0|1,0,0]=3 539 B15R2.15633 O=C(O)C1=CC2=C(Cl)N=C(Cl)N=C2N1 D21078 [0,2,0,0,0,0|2,0,0]=4 540 B15R2.15633 O=C(O)C1=CC2=C(F)C=C(F)C=C2N1 D22624 [0,2,0,0,0,0|0,0,0]=2 541 B15R2.15633 O=C(O)C1=CC2=CC(Br)=CC(Cl)=C2N1 B50749 [0,2,0,0,0,0|0,0,0]=2 542 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Br)=C2N1 B50750 [0,2,0,0,0,0|0,0,0]=2 543 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2N1 D38741 [0,2,0,0,0,0|0,0,0]=2 544 B15R2.15633 O=C(O)C1=CN2C=C(Br)C=C(F)C2=N1 B47352 [0,2,0,0,0,0|1,0,1]=4 545 B15R2.20824 COC1=CC=CC2=C1C=C(C(=O)O)S2 M53815 [0,2,0,0,0,0|1,0,0]=3 546 B15R2.20824 COC1=CC=CN2C=C(C(=O)O)N=C12 M29993 [0,2,0,0,0,0|1,0,1]=4 547 B13R2.369 CC1=NC2=CC=CC=C2C=C1N M38253 [0,0,1,1,0,0|2,0,0]=4 548 B13R2.369 NC1=CC2=CC=CC=C2C=C1I K53740 [0,0,1,1,0,0|2,0,0]=4 549 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,0,1,1,0,0|1,0,0]=3 550 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,0,1,1,0,0|1,0,1]=4 551 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 M54373 [0,0,1,1,0,0|2,0,0]=4 552 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 M67755 [0,0,1,1,0,0|2,0,0]=4 553 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 B50916 [0,0,1,1,0,0|2,0,0]=4 554 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 H51173 [0,0,1,1,0,0|2,0,0]=4 555 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 D69657 [0,0,1,1,0,0|2,0,0]=4 556 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 K51361 [0,0,1,1,0,0|2,0,0]=4 557 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 I7958 [0,0,1,1,0,0|1,0,1]=4 558 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 B50992 [0,0,1,1,0,0|2,0,0]=4 559 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 B37963 [0,0,1,1,0,0|2,0,0]=4 560 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 I1543 [0,0,1,1,0,0|1,0,1]=4 561 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 K52237 [0,0,1,1,0,0|0,0,2]=4 562 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 K52238 [0,0,1,1,0,0|0,0,2]=4 563 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 I5516 [0,0,1,1,0,0|2,0,0]=4 564 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 B50993 [0,0,1,1,0,0|2,0,0]=4 565 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 B64521 [0,0,1,1,0,0|2,0,0]=4 566 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 I4654 [0,0,1,1,0,0|2,0,0]=4 567 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 B29936 [0,0,1,1,0,0|2,0,0]=4 568 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 P4029 [0,0,1,1,0,0|1,0,1]=4 569 B13R2.430 O=C(O)C1=CN2C=CC=C2C=C1 K51178 [0,0,1,1,0,0|2,0,0]=4 570 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 A7905 [0,0,1,1,0,0|1,0,1]=4 571 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 P0213 [0,0,1,1,0,0|1,0,1]=4 572 B13R2.430 O=C(O)C1=NC=C2C=CNC2=C1 A13730 [0,0,1,1,0,0|1,0,1]=4 573 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 P32319 [0,0,1,1,0,0|1,0,1]=4 574 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 F47727 [0,0,1,1,0,0|1,0,1]=4 575 B13R2.5569 O=C(O)C1=C2C=CNC2=CC=C1 K4625 [0,0,1,1,0,0|2,0,0]=4 576 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 B13838 [0,0,1,1,0,0|2,0,0]=4 577 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 K4695 [0,0,1,1,0,0|2,0,0]=4 578 B13R2.5569 O=C(O)C1=C2OC=CC2=CC=C1 B50994 [0,0,1,1,0,0|2,0,0]=4 579 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=N1 T14728 [0,0,1,1,0,0|1,0,1]=4 580 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CS2 B9857 [0,0,1,1,0,0|2,0,0]=4 581 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 I12269 [0,0,1,1,0,0|1,0,0]=3 582 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 K49596 [0,0,1,1,0,0|1,0,0]=3 583 B13R2.5569 O=C(O)C1=CC=CC2=NC=NN12 T10339 [0,0,1,1,0,0|2,0,0]=4 584 B13R2.5569 O=C(O)C1=CC=CC2=NN=CN12 T17847 [0,0,1,1,0,0|2,0,0]=4 585 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CN2 P37297 [0,0,1,1,0,0|1,0,1]=4 586 B13R2.5569 O=C(O)C1=NC=CC2=C1NC=C2 A7944 [0,0,1,1,0,0|1,0,1]=4 587 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,0,1,0,1,0|0,0,0]=2 588 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,1,0,1,0|2,0,0]=4 589 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,0,1,0,1,0|0,0,2]=4 590 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,0,1,0,1,0|0,0,2]=4 591 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,0,1,0,1,0|1,0,1]=4 592 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,0,1,0,1,0|1,0,1]=4 593 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,0,1,0,1,0|0,0,1]=3 594 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,0,1,0,1,0|0,0,1]=3 595 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,0,1,0,1,0|1,0,1]=4 596 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,0,1,0,1,0|1,0,1]=4 597 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,0,1,0,1,0|2,0,0]=4 598 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,0,1,0,1,0|0,0,2]=4 599 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,0,1,0,1,0|1,0,1]=4 600 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,0,1,0,1,0|1,0,1]=4 601 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,0,1,0,1,0|1,0,1]=4 602 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,0,1,0,1,0|1,0,1]=4 603 B11R2.15 O=CC1=CC2=C(C=CS2)S1 T44688 [1,0,0,0,1,0|2,0,0]=4 604 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,0,1,0,0,1|0,0,2]=4 605 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,0,1,0,0,1|0,0,2]=4 606 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,0,1,0,0,1|1,0,1]=4 607 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 F65412 [0,0,1,0,0,1|1,0,0]=3 608 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 V55310 [1,0,0,0,0,1|1,0,1]=4 609 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N64900 [1,0,0,0,0,1|1,0,0]=3 610 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [1,0,0,0,0,1|0,0,1]=3 611 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 Q1105 [1,0,0,0,0,1|2,0,0]=4 612 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 F1406 [1,0,0,0,0,1|0,0,1]=3 613 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [1,0,0,0,0,1|1,0,1]=4 614 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 I38800 [1,0,0,0,0,1|0,0,2]=4 615 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 Q53901 [1,0,0,0,0,1|0,0,2]=4 616 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 N68939 [0,0,0,0,0,2|1,0,0]=3 617 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 Q55357 [0,0,0,0,0,2|2,0,0]=4