0 B16R2.451686 COC(=O)C1=CC2=C(Br)C=C(F)C=C2S1 M65614 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.451686 COC(=O)C1=CN2C=C(C)C=C(Br)C2=N1 M5083 [0,0,0,0,0,0|1,0,1]=2 2 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)N1 M11995 [1,0,0,0,0,0|3,0,0]=4 3 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)S1 M53595 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.1590 COC(=O)C1=CC2=C(C=C(C)C=C2)O1 M54352 [1,0,0,0,0,0|2,0,0]=3 5 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=C2)S1 M53597 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.1590 COC(=O)C1=CC2=C(C=C(F)C=C2)S1 M63881 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)S1 M12680 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)N1 M38396 [1,0,0,0,0,0|1,0,0]=2 9 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)O1 M66662 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)S1 M53951 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.1590 COC(=O)C1=CC2=C(N=CC(N)=C2)N1 M15449 [1,0,0,0,0,0|2,0,0]=3 12 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2N1 M0361 [1,0,0,0,0,0|2,0,0]=3 13 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=CN=C2N1 M5235 [1,0,0,0,0,0|2,0,0]=3 14 B15R2.1590 COC(=O)C1=CC2=CC(F)=CN=C2N1 M7255 [1,0,0,0,0,0|2,0,0]=3 15 B15R2.1590 COC(=O)C1=CN2C=C(Br)C=CC2=N1 B3451 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)O1 M50897 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)S1 M50871 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)O1 M50896 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)S1 M62208 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.1590 COC(=O)C1=NC2=C(C=CC(C)=C2)O1 M53967 [1,0,0,0,0,0|2,0,0]=3 21 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Cl)=C2)O1 M50898 [1,0,0,0,0,0|3,0,0]=4 22 B15R2.1590 COC(=O)C1=NC2=C(C=CC(N)=C2)N1 M52226 [1,0,0,0,0,0|2,0,0]=3 23 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2S1 M12682 [1,0,0,0,0,0|2,0,0]=3 24 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CN=C2N1 M27049 [1,0,0,0,0,0|3,0,0]=4 25 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2S1 M8135 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CC=C2N1 M53757 [1,0,0,0,0,0|2,1,0]=4 27 B15R2.1598 COC(=O)C1=CC2=C(F)C=CC=C2N1 M16693 [1,0,0,0,0,0|2,1,0]=4 28 B15R2.1598 COC(=O)C1=CC2=C(I)C=CC=C2S1 M53603 [1,0,0,0,0,0|2,1,0]=4 29 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Br)=NC=C2 M50872 [1,0,0,0,0,0|2,0,0]=3 30 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2N1 M53748 [1,0,0,0,0,0|0,0,0]=1 31 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2S1 M12711 [1,0,0,0,0,0|1,0,0]=2 32 B15R2.1598 COC(=O)C1=CC2=CC=CC(Cl)=C2S1 M66035 [1,0,0,0,0,0|1,1,0]=3 33 B15R2.1598 COC(=O)C1=CC2=CC=CC(F)=C2N1 M37385 [1,0,0,0,0,0|0,1,0]=2 34 B15R2.1598 COC(=O)C1=CC2=CC=CC(N)=C2S1 M53952 [1,0,0,0,0,0|2,0,0]=3 35 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2N1 M12945 [1,0,0,0,0,0|1,1,0]=3 36 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2S1 M12673 [1,0,0,0,0,0|2,1,0]=4 37 B15R2.1598 COC(=O)C1=CN2C(Br)=CC=CC2=N1 B3450 [1,0,0,0,0,0|3,0,0]=4 38 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(F)C=C2S1 B65615 [1,0,0,0,0,0|3,0,0]=4 39 B15R2.15633 O=C(O)C1=CC2=CC(Br)=CC(Cl)=C2N1 B50749 [1,0,0,0,0,0|1,1,0]=3 40 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Br)=C2N1 B50750 [1,0,0,0,0,0|1,0,0]=2 41 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2N1 D38741 [1,0,0,0,0,0|1,1,0]=3 42 B17R2.428972 COC(=O)C1=CC2=C(Br)C=C(C#N)C=C2S1 M64180 [0,1,0,0,0,0|2,0,1]=4 43 B17R2.1055464 CCOC(=O)C1=CC2=CC(Cl)=CC(Cl)=C2N1 E55373 [0,1,0,0,0,0|1,1,0]=3 44 B17R2.1055464 CCOC(=O)C1=CC2=CC(Cl)=CC(F)=C2N1 E64502 [0,1,0,0,0,0|1,1,0]=3 45 B17R2.1055464 CCOC(=O)C1=CC2=CC(F)=CC(Br)=C2N1 E55370 [0,1,0,0,0,0|1,0,0]=2 46 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [2,0,0,0,0,0|0,0,0]=2 47 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 M53804 [2,0,0,0,0,0|1,0,0]=3 48 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 M12534 [2,0,0,0,0,0|1,0,0]=3 49 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 M13607 [2,0,0,0,0,0|2,0,0]=4 50 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 M3314 [2,0,0,0,0,0|1,0,0]=3 51 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 M14021 [2,0,0,0,0,0|2,0,0]=4 52 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [2,0,0,0,0,0|1,0,0]=3 53 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 M51214 [2,0,0,0,0,0|1,0,1]=4 54 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 P3313 [2,0,0,0,0,0|1,0,1]=4 55 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 M66075 [2,0,0,0,0,0|0,0,2]=4 56 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [2,0,0,0,0,0|2,0,0]=4 57 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [2,0,0,0,0,0|2,0,0]=4 58 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [2,0,0,0,0,0|0,0,0]=2 59 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 M51401 [2,0,0,0,0,0|1,0,1]=4 60 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C38242 [2,0,0,0,0,0|2,0,0]=4 61 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [2,0,0,0,0,0|2,0,0]=4 62 B14R2.4529 NC1=CC2=C(C=C1)SC(C(=O)O)=C2 A51196 [2,0,0,0,0,0|2,0,0]=4 63 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 A13885 [2,0,0,0,0,0|2,0,0]=4 64 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [2,0,0,0,0,0|1,0,0]=3 65 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [2,0,0,0,0,0|2,0,0]=4 66 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 B12681 [2,0,0,0,0,0|2,0,0]=4 67 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=N2)N1 B14108 [2,0,0,0,0,0|2,0,0]=4 68 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [2,0,0,0,0,0|1,0,0]=3 69 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [2,0,0,0,0,0|2,0,0]=4 70 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C12532 [2,0,0,0,0,0|2,0,0]=4 71 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C4191 [2,0,0,0,0,0|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [2,0,0,0,0,0|1,0,0]=3 73 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [2,0,0,0,0,0|2,0,0]=4 74 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B1666 [2,0,0,0,0,0|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B17676 [2,0,0,0,0,0|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 B47577 [2,0,0,0,0,0|2,0,0]=4 77 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 C4188 [2,0,0,0,0,0|2,0,0]=4 78 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 F12411 [2,0,0,0,0,0|2,0,0]=4 79 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 B5840 [2,0,0,0,0,0|2,0,0]=4 80 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 M21988 [2,0,0,0,0,0|1,0,0]=3 81 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 B37796 [2,0,0,0,0,0|2,0,0]=4 82 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 B12683 [2,0,0,0,0,0|2,0,0]=4 83 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 C25890 [2,0,0,0,0,0|1,1,0]=4 84 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H51211 [2,0,0,0,0,0|1,0,0]=3 85 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 B47389 [2,0,0,0,0,0|2,0,0]=4 86 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 B50868 [2,0,0,0,0,0|0,0,0]=2 87 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 B9974 [2,0,0,0,0,0|1,0,0]=3 88 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 B12710 [2,0,0,0,0,0|1,0,0]=3 89 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 C50879 [2,0,0,0,0,0|0,1,0]=3 90 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 C26344 [2,0,0,0,0,0|1,1,0]=4 91 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [2,0,0,0,0,0|0,1,0]=3 92 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 B14171 [2,0,0,0,0,0|1,0,1]=4 93 B14R2.7969 O=C(O)C1=NC2=C(Br)C=CC=C2S1 B13967 [2,0,0,0,0,0|1,0,1]=4 94 B14R2.7969 O=C(O)C1=NC2=CC=CC(Br)=C2S1 B13969 [2,0,0,0,0,0|2,0,0]=4 95 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 B14200 [2,0,0,0,0,0|1,0,1]=4 96 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(Br)=C2)N1 E21709 [1,1,0,0,0,0|1,0,0]=3 97 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(Br)=N2)N1 E11299 [1,1,0,0,0,0|2,0,0]=4 98 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(C)=C2)N1 E55811 [1,1,0,0,0,0|0,0,0]=2 99 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(C)=N2)N1 M12665 [1,1,0,0,0,0|1,0,0]=3 100 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 E23848 [1,1,0,0,0,0|1,0,0]=3 101 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(Cl)=N2)N1 E14109 [1,1,0,0,0,0|2,0,0]=4 102 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(F)=C2)N1 E5514 [1,1,0,0,0,0|1,0,0]=3 103 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(N)=C2)O1 E15529 [1,1,0,0,0,0|2,0,0]=4 104 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(N)=C2)O1 E66546 [1,1,0,0,0,0|2,0,0]=4 105 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(O)=C2)N1 E54432 [1,1,0,0,0,0|1,0,0]=3 106 B16R2.755 CCOC(=O)C1=CC2=C(N=CC(C)=C2)N1 E64330 [1,1,0,0,0,0|1,0,0]=3 107 B16R2.755 CCOC(=O)C1=CC2=CC(Br)=NC=C2N1 E25457 [1,1,0,0,0,0|2,0,0]=4 108 B16R2.755 CCOC(=O)C1=CC2=CC(Cl)=CN=C2N1 E0557 [1,1,0,0,0,0|2,0,0]=4 109 B16R2.755 CCOC(=O)C1=CC2=CC(Cl)=NC=C2N1 E5511 [1,1,0,0,0,0|2,0,0]=4 110 B16R2.755 CCOC(=O)C1=CN2C=C(C)C=CC2=N1 M3389 [1,1,0,0,0,0|1,0,1]=4 111 B16R2.7604 COC(=O)C1=CC2=C(C=C(OC)C=C2)N1 M54439 [1,1,0,0,0,0|2,0,0]=4 112 B16R2.33892 COC(=O)C1=C(N)C2=C(C=CC(Br)=C2)S1 M61310 [1,1,0,0,0,0|2,0,0]=4 113 B16R2.33916 COC(=O)C1=CC2=C(N=CC(N)=C2)N1C M27533 [1,1,0,0,0,0|2,0,0]=4 114 B16R2.33944 COC(=O)C1=CC2=C(C=CC(Br)=C2C)N1 M61304 [1,1,0,0,0,0|1,0,0]=3 115 B16R2.451705 COC(=O)C1=CC2=CC(F)=C(Cl)C=C2N1 M53571 [1,1,0,0,0,0|1,0,0]=3 116 B16R2.764 CCOC(=O)C1=CC2=C(Br)C=CC=C2N1 E37634 [1,1,0,0,0,0|2,0,0]=4 117 B16R2.764 CCOC(=O)C1=CC2=C(N1)C(Cl)=NC=C2 E5510 [1,1,0,0,0,0|1,1,0]=4 118 B16R2.764 CCOC(=O)C1=CC2=CC=CC(Br)=C2N1 E54322 [1,1,0,0,0,0|0,0,0]=2 119 B16R2.764 CCOC(=O)C1=CC2=CC=CC(Cl)=C2N1 E54328 [1,1,0,0,0,0|0,1,0]=3 120 B16R2.764 CCOC(=O)C1=CC2=NC=CC(Cl)=C2N1 E11300 [1,1,0,0,0,0|1,1,0]=4 121 B16R2.764 CCOC(=O)C1=CN2C=CC=C(Br)C2=N1 E14170 [1,1,0,0,0,0|1,0,1]=4 122 B16R2.764 CCOC(=O)C1=NN2C(Br)=CC=CC2=C1 E14199 [1,1,0,0,0,0|1,0,1]=4 123 B16R2.173367 COC(=O)C1=C(O)C2=CC=CC(Cl)=C2S1 M53608 [1,1,0,0,0,0|1,1,0]=4 124 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 M55620 [1,0,0,0,0,1|2,0,0]=4 125 B16R2.1205 COC(=O)C1=CN=C2C=CC(Br)=CC2=C1 M55266 [1,0,0,0,0,1|1,0,1]=4 126 B16R2.1205 COC(=O)C1=NC=C2C=CC(Br)=CC2=C1 M55273 [1,0,0,0,0,1|1,0,1]=4 127 B16R2.173132 COC(=O)C1=CC=C2C(Br)=CC=CC2=C1 M56531 [1,0,0,0,0,1|1,0,0]=3 128 B16R2.173132 COC(=O)C1=CC=C2C(Br)=CC=CC2=N1 M55264 [1,0,0,0,0,1|2,0,0]=4