0 B16R2.23521 CC1=CC2=C(C=C1)N=C(C)C(C(=O)O)=C2 CS-0220644 [0,0,0,0,0,0|1,0,0]=1 1 B16R2.23521 CC1=CC=C2OC(=O)C(C(=O)O)=CC2=C1 CS-0699108 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1=O CS-0116983 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.23521 O=C(O)C1=CC2=CC(Cl)=CC=C2NC1=O CS-0170911 [0,0,0,0,0,0|1,0,1]=2 4 B16R2.23521 O=C(O)C1=CC2=CC(O)=CC=C2C=C1O CS-W015418 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.984 CC(=O)C1=C(O)N=C2C=CN=CC2=C1 CS-0453279 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.984 CC1=C(C(=O)O)C=C2C=CC=NC2=N1 CS-0932892 [1,0,0,0,0,0|1,0,0]=2 7 B15R2.984 CC1=NC2=NC=CC=C2C=C1C(=O)O CS-0059252 [1,0,0,0,0,0|1,0,0]=2 8 B15R2.984 NC(=O)C1=C(N)C=C2C=CC=CC2=C1 CS-0162746 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.984 O=C(O)C1=CC2=C(N=CC=C2)NC1=O CS-0072045 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.984 O=C(O)C1=NC2=CC=CC=C2NC1=O CS-W015904 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.984 O=C([O-])C1=C(O)C=C2C=CC=CC2=C1 CS-0314265 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.984 OB(O)C1=C(F)N=C2C=CC=CC2=C1 CS-0174136 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.1824 CC1=CC2=CC(CO)=C(Cl)N=C2C=C1 CS-0215432 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.1824 OCC1=CC2=CC(Br)=CC=C2N=C1Cl CS-0469563 [1,0,0,0,0,0|1,1,1]=4 15 B15R2.1824 OCC1=CC2=CC(Cl)=CC=C2N=C1Cl CS-0509137 [1,0,0,0,0,0|1,0,1]=3 16 B15R2.7174 CC(=O)C1=NC2=CC(Br)=CC=C2N=C1 CS-0566503 [1,0,0,0,0,0|2,1,0]=4 17 B15R2.7174 CC1=CC2=CC(B(O)O)=CN=C2C=C1 CS-0175862 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.7174 CC1=CC2=CC(C(=O)O)=CN=C2C=C1 CS-0205719 [1,0,0,0,0,0|1,0,0]=2 19 B15R2.7174 CC1=CC=C2C=CC(C(=O)O)=NC2=C1 CS-0455513 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.7174 NC(=O)C1=CN=C2C=CC(Br)=CC2=C1 CS-0158590 [1,0,0,0,0,0|1,1,0]=3 21 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=N1 CS-W006166 [1,0,0,0,0,0|2,1,0]=4 22 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CN=C2N=C1 CS-0076198 [1,0,0,0,0,0|1,1,0]=3 23 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2N=C1 CS-0139416 [1,0,0,0,0,0|1,0,0]=2 24 B17R2.1023 COC1=C(C(=O)O)C=C2C=C(Cl)C=CC2=N1 CS-0778984 [0,1,0,0,0,0|0,0,0]=1 25 B17R2.1023 COC1=NC2=CC=C(Br)C=C2C=C1B(O)O CS-0068936 [0,1,0,0,0,0|1,1,1]=4 26 B17R2.38847 CC1=C(C(=O)O)C(=O)OC2=C1C=C(O)C=C2 CS-0231684 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.58255 COC(=O)C1=CC2=CC(Cl)=CC=C2OC1=O CS-0316898 [0,1,0,0,0,0|2,0,0]=3 28 B17R2.64948 CCC1=CC=C2N=C(C)C(C(=O)O)=CC2=C1 CS-0458064 [0,1,0,0,0,0|1,0,0]=2 29 B17R2.880639 CC(=O)C1=CC2=CC(Cl)=CC(Cl)=C2OC1=O CS-0231361 [0,1,0,0,0,0|3,0,0]=4 30 B17R2.880639 NC(=O)C1=CC2=CC(Br)=CC(Br)=C2N=C1N CS-0321727 [0,1,0,0,0,0|2,1,0]=4 31 B17R2.880639 O=C(O)C1=CC2=C(OC1=O)C(Cl)=CC(Br)=C2 CS-0526178 [0,1,0,0,0,0|2,1,0]=4 32 B15R2.7204 CC(=O)C1=C(C)OC2=C1C=C(O)C=C2 CS-0072956 [0,0,0,0,1,0|3,0,0]=4 33 B15R2.7204 CC1=C(C(=O)O)C2=C(C=CC(F)=C2)N1 CS-0244189 [0,0,0,0,1,0|0,1,1]=3 34 B15R2.7204 CC1=C(C(=O)O)C2=C(C=CC(O)=C2)N1 CS-0234565 [0,0,0,0,1,0|1,0,1]=3 35 B15R2.7204 CN1N=C2C=CC(Br)=CC2=C1C(=O)O CS-0050614 [0,0,0,0,1,0|1,1,0]=3 36 B15R2.14758 CC(=O)C1=NC2=C(C=CC(Cl)=C2)N1C CS-0221779 [0,0,0,0,1,0|3,0,0]=4 37 B15R2.14758 CC1=C(C(=O)O)SC2=CC(Cl)=CC=C21 CS-0165854 [0,0,0,0,1,0|1,0,0]=2 38 B15R2.14758 CN1C(C(=O)O)=CC2=CC(Br)=CC=C21 CS-0461561 [0,0,0,0,1,0|1,1,0]=3 39 B14R1.1865 COC1=CC=C(Br)C=C1\C=C\C(=O)O CS-0036125 [1,0,1,0,0,0|1,1,0]=4 40 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 CS-0149963 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.781 O=C(O)C1=CC2=C(N=CC=N2)N=C1 CS-0233722 [2,0,0,0,0,0|2,0,0]=4 42 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 CS-0448252 [2,0,0,0,0,0|1,0,1]=4 43 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 CS-0465995 [2,0,0,0,0,0|1,0,1]=4 44 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 CS-0648810 [2,0,0,0,0,0|1,0,1]=4 45 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 CS-0105995 [2,0,0,0,0,0|1,0,1]=4 46 B14R2.781 OB(O)C1=CN=C2C=CC=CC2=C1 CS-0175280 [2,0,0,0,0,0|1,0,1]=4 47 B14R2.134 O=CC1=CC=C2C=CC(Br)=CC2=C1 CS-0895448 [2,0,0,0,0,0|1,1,0]=4 48 B14R2.8239 CC1=NC2=C(C=C(Br)C=C2)NC1=O CS-0207832 [2,0,0,0,0,0|1,1,0]=4 49 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(N)=O CS-0776681 [1,1,0,0,0,0|2,0,0]=4 50 B16R2.23372 CC1=C(C(=O)O)C(=O)OC2=CC=CC=C21 CS-0070930 [1,1,0,0,0,0|2,0,0]=4 51 B16R2.23372 CC1=C(C(=O)O)C(O)=NC2=CC=CC=C21 CS-0221878 [1,1,0,0,0,0|1,0,0]=3 52 B16R2.23372 O=C(O)C1=C(Cl)C2=CC=CC=C2NC1=O CS-0697900 [1,1,0,0,0,0|1,0,1]=4 53 B16R2.23372 O=C(O)C1=C(O)C=C2C=CC=CC2=C1O CS-W021281 [1,1,0,0,0,0|2,0,0]=4 54 B16R2.23520 CC1=CC2=C(C=C1)C=C(C(=O)O)C(C)=N2 CS-0220643 [1,1,0,0,0,0|0,0,0]=2 55 B16R2.23520 CC1=NC2=C(C=CC(F)=C2)C=C1C(=O)O CS-0456877 [1,1,0,0,0,0|0,0,0]=2 56 B16R2.23520 CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)O CS-0307782 [1,1,0,0,0,0|0,0,0]=2 57 B16R2.23520 O=C(O)C1=CC2=C(C=C(F)C=C2)NC1=O CS-0247947 [1,1,0,0,0,0|1,0,1]=4 58 B16R2.23520 O=C(O)C1=CC2=C(C=C(F)C=C2)OC1=O CS-0324463 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.33941 COC(=O)C1=C(N)C=C2C=CC=CC2=C1 CS-0109530 [1,1,0,0,0,0|2,0,0]=4 60 B16R2.83668 CN1C(=O)C(C(=O)O)=CC2=CC=CC=C21 CS-0151120 [1,1,0,0,0,0|1,0,1]=4 61 B16R2.83668 O=C(O)C1=C(O)C(Br)=C2C=CC=CC2=C1 CS-0449707 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.126888 O=C(O)C1=CC2=C(C=CC=C2F)OC1=O CS-0512838 [1,1,0,0,0,0|2,0,0]=4 63 B16R2.126889 CC1=C2OC(=O)C(C(=O)O)=CC2=CC=C1 CS-0699128 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.126889 CC1=NC2=C(C)C=CC=C2C=C1C(=O)O CS-0359025 [1,1,0,0,0,0|0,0,0]=2 65 B16R2.126889 O=C(O)C1=C(Cl)N=C2C(Cl)=CC=CC2=C1 CS-0587016 [1,1,0,0,0,0|1,0,0]=3 66 B16R2.126889 O=C(O)C1=C(O)C=C2C(O)=CC=CC2=C1 CS-0018716 [1,1,0,0,0,0|2,0,0]=4 67 B16R2.8614 NC1=C(C=O)C(=O)C2=C(C=CC(Cl)=C2)O1 CS-0314621 [1,1,0,0,0,0|2,0,0]=4 68 B16R2.37661 CCC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 CS-0437625 [1,1,0,0,0,0|2,0,0]=4 69 B16R2.192589 CC1=C2N=C(Cl)C(C=O)=CC2=CC(Cl)=C1 CS-0505675 [1,1,0,0,0,0|1,0,0]=3 70 B16R2.192946 CC1=CC2=CC(C=O)=C(Cl)N=C2C=C1C CS-0462433 [1,1,0,0,0,0|2,0,0]=4 71 B16R2.192946 O=CC1=CC2=CC(F)=C(F)C=C2N=C1Cl CS-0370332 [1,1,0,0,0,0|1,1,0]=4 72 B16R2.1205 COC(=O)C1=CC=C2N=CC(Cl)=CC2=C1 CS-0309849 [1,1,0,0,0,0|2,0,0]=4 73 B16R2.3885 O=C(O)C1=CC2=CC(Cl)=C(Cl)C=C2N=C1 CS-0458188 [1,1,0,0,0,0|0,0,0]=2 74 B16R2.7476 COC1=CC=C2N=CC(C(=O)O)=CC2=C1 CS-0139428 [1,1,0,0,0,0|1,0,0]=3 75 B16R2.12044 CC(=O)C1=C(O)C2=CC(Br)=CC=C2N=C1 CS-0238863 [1,1,0,0,0,0|1,1,0]=4 76 B16R2.12044 CC1=CC2=C(C=C1)NC=C(C(=O)O)C2=O CS-0368425 [1,1,0,0,0,0|1,0,1]=4 77 B16R2.12044 CC1=CN2C(=O)C(C(=O)O)=CN=C2C=C1 CS-0213013 [1,1,0,0,0,0|2,0,0]=4 78 B16R2.12044 NC(=O)C1=C(Cl)C2=CC(F)=CC=C2N=C1 CS-0097580 [1,1,0,0,0,0|1,1,0]=4 79 B16R2.12044 NC1=C(C(=O)O)C=NC2=CC=C(F)C=C21 CS-0714508 [1,1,0,0,0,0|0,1,0]=3 80 B16R2.12044 O=C(O)C1=C(Cl)C2=CC(Cl)=CC=C2N=C1 CS-0099552 [1,1,0,0,0,0|0,0,0]=2 81 B16R2.12044 O=C(O)C1=CN=C2C=CC(Br)=CN2C1=O CS-0055420 [1,1,0,0,0,0|1,1,0]=4 82 B16R2.12044 O=C(O)C1=CN=C2C=CC(Cl)=CN2C1=O CS-0484389 [1,1,0,0,0,0|1,0,0]=3 83 B16R2.12044 O=C(O)C1=CNC2=C(C=C(Br)C=C2)C1=O CS-0062412 [1,1,0,0,0,0|0,1,1]=4 84 B16R2.12044 O=C(O)C1=COC2=C(C=C(Br)C=C2)C1=O CS-0323014 [1,1,0,0,0,0|1,1,0]=4 85 B16R2.26103 CC1=C2N=CC(C(=O)O)=CC2=CC(Cl)=C1 CS-0367383 [1,1,0,0,0,0|0,0,0]=2 86 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(Cl)C=C2)O1 CS-0441449 [1,1,0,0,0,0|2,0,0]=4 87 B16R2.7527 COC1=CC2=C(C=C1)OC(C)=C2C(=O)O CS-0249659 [0,1,0,0,1,0|2,0,0]=4 88 B16R2.453115 COC(=O)C1=C(C)NC2=C1C=C(Cl)C=C2 CS-0469306 [0,1,0,0,1,0|0,0,1]=3 89 B16R2.453115 COC(=O)C1=C(C)NC2=C1C=C(F)C=C2 CS-0504626 [0,1,0,0,1,0|0,1,1]=4 90 B16R2.453115 COC(=O)C1=C(C)OC2=CC=C(O)C=C21 CS-0117110 [0,1,0,0,1,0|2,0,0]=4 91 B16R2.453115 COC(=O)C1=C2C=C(Br)C=CC2=NN1C CS-0048998 [0,1,0,0,1,0|1,1,0]=4 92 B16R2.23772 CC1=CC2=C(C=C1C)C(C)=C(C(=O)O)O2 CS-0320124 [0,1,0,0,1,0|2,0,0]=4 93 B16R2.33916 CN1C(C(=O)NN)=CC2=C1C=CC(Cl)=C2 CS-0260041 [0,1,0,0,1,0|2,0,0]=4 94 B16R2.33916 COC(=O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 CS-0301862 [0,1,0,0,1,0|2,0,0]=4 95 B16R2.33916 COC(=O)C1=C(N)C2=CC=C(Cl)C=C2S1 CS-0516278 [0,1,0,0,1,0|2,0,0]=4 96 B16R2.33916 COC(=O)C1=CC2=CC(F)=CC=C2N1C CS-0759928 [0,1,0,0,1,0|1,1,0]=4 97 B16R2.98486 CC1=C(C(=O)O)N(C)C2=C1C=C(F)C=C2 CS-0315541 [0,1,0,0,1,0|1,1,0]=4 98 B16R2.98486 CN1C2=C(C=C(Br)C=C2)C(Cl)=C1C(=O)O CS-0247800 [0,1,0,0,1,0|1,1,0]=4 99 B16R2.375607 O=C(O)C1=C(Cl)C2=C(Cl)C=C(Cl)C=C2S1 CS-0218388 [0,1,0,0,1,0|2,0,0]=4 100 B18R2.1792074 COC(=O)C1=CC2=CC(Cl)=CC(Br)=C2OC1=O CS-0463684 [0,2,0,0,0,0|2,0,0]=4 101 B14R2.450 CC(=O)C1=C(C)C2=CC=CC=C2O1 CS-0062605 [1,0,0,0,1,0|2,0,0]=4 102 B14R2.450 CC(=O)C1=C(C)C2=CC=CC=C2S1 CS-0309008 [1,0,0,0,1,0|2,0,0]=4 103 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 CS-W017502 [1,0,0,0,1,0|0,0,1]=3 104 B14R2.450 O=C(O)C1=C(I)C2=CC=CC=C2N1 CS-0448015 [1,0,0,0,1,0|2,0,0]=4 105 B14R2.642 CC(=O)C1=C(C)NC2=CC=CC=C21 CS-0247299 [1,0,0,0,1,0|1,0,1]=4 106 B14R2.642 CC1=C(C(=O)O)C2=C(C=NC=C2)N1 CS-0163698 [1,0,0,0,1,0|1,0,1]=4 107 B14R2.642 CC1=C(C(=O)O)N2C=CC=CC2=N1 CS-0074613 [1,0,0,0,1,0|1,0,0]=3 108 B14R2.642 CC1=C(C(=O)O)N2C=CC=NC2=N1 CS-0961753 [1,0,0,0,1,0|2,0,0]=4 109 B14R2.642 CC1=C(C(N)=O)C2=CC=CC=C2N1 CS-0454792 [1,0,0,0,1,0|1,0,1]=4 110 B14R2.642 CC1=NN2C=CC=NC2=C1C(=O)O CS-0080358 [1,0,0,0,1,0|2,0,0]=4 111 B14R2.1095 CC1=CC2=C(C=C1)N(C)C(C=O)=C2 CS-0152918 [1,0,0,0,1,0|2,0,0]=4 112 B14R2.1095 CN1C(C=O)=CC2=CC(F)=CC=C21 CS-0313387 [1,0,0,0,1,0|1,1,0]=4 113 B14R2.19008 CC1=C(C=O)C2=C(C=CC(Cl)=C2)N1 CS-0153487 [1,0,0,0,1,0|0,0,1]=3 114 B14R2.19008 CC1=C(C=O)C2=C(C=CC(F)=C2)N1 CS-0172060 [1,0,0,0,1,0|0,1,1]=4 115 B14R2.19008 CC1=CC=C2NC(C)=C(C=O)C2=C1 CS-0071637 [1,0,0,0,1,0|1,0,1]=4 116 B14R2.19008 O=CC1=C(Br)SC2=C1C=C(Cl)C=C2 CS-0211227 [1,0,0,0,1,0|2,0,0]=4 117 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 CS-0973424 [1,0,0,0,1,0|1,0,1]=4 118 B14R2.4529 CC(=O)C1=NC2=C(C=C(Cl)C=C2)N1 CS-0687799 [1,0,0,0,1,0|2,0,0]=4 119 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 CS-0307904 [1,0,0,0,1,0|2,0,0]=4 120 B14R2.4529 NC1=CC=C2NC(C(=O)O)=CC2=C1 CS-0309268 [1,0,0,0,1,0|1,0,1]=4 121 B14R2.4529 NC1=CC=C2SC(C(=O)O)=CC2=C1 CS-0206165 [1,0,0,0,1,0|2,0,0]=4 122 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)S1 CS-0370255 [1,0,0,0,1,0|2,0,0]=4 123 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2S1 CS-0445721 [1,0,0,0,1,0|1,0,0]=3 124 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 CS-0043690 [1,0,0,0,1,0|2,0,0]=4 125 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2S1 CS-0506258 [1,0,0,0,1,0|2,0,0]=4 126 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 CS-0053831 [1,0,0,0,1,0|1,0,1]=4 127 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 CS-0573033 [1,0,0,0,1,0|1,1,0]=4 128 B14R2.4529 O=C(O)C1=CN2C=C(F)C=CC2=N1 CS-0035938 [1,0,0,0,1,0|1,1,0]=4 129 B14R2.4529 O=C(O)C1=CN2C=C(I)C=CC2=N1 CS-0213499 [1,0,0,0,1,0|1,1,0]=4 130 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 CS-W019292 [1,0,0,0,1,0|1,0,0]=3 131 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2S1 CS-0021450 [1,0,0,0,1,0|2,0,0]=4 132 B14R2.4529 O=C(O)C1=NC2=CC=C(F)C=C2N1 CS-0719235 [1,0,0,0,1,0|1,1,0]=4 133 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 CS-0050214 [1,0,0,0,1,0|2,0,0]=4 134 B14R2.4529 O=C(O)C1=NN2C=CC(Cl)=CC2=N1 CS-0050057 [1,0,0,0,1,0|2,0,0]=4 135 B14R2.5816 O=C(O)C1=CNC2=CC=C(Cl)N=C21 CS-0050538 [1,0,0,0,1,0|1,0,1]=4 136 B14R2.5816 O=C(O)C1=CSC2=C1C=C(Cl)C=C2 CS-0205951 [1,0,0,0,1,0|1,0,0]=3 137 B14R2.5816 O=C(O)C1=CSC2=C1C=C(F)C=C2 CS-0215560 [1,0,0,0,1,0|1,1,0]=4 138 B16R2.3989 O=C(O)CC1=CC2=CC=CC=C2OC1=O CS-0309278 [1,0,0,0,0,1|2,0,0]=4 139 B16R2.12045 O=C(O)C1=C(O)C=NC2=CC=C(Br)C=C21 CS-0135249 [0,0,0,0,1,1|1,1,0]=4 140 B16R2.23502 CC1=CC=C2N=C(C)C=C(C(=O)O)C2=C1 CS-0076500 [0,0,0,0,1,1|1,0,0]=3 141 B16R2.23502 CC1=NC2=C(C=C(F)C=C2)C(C(=O)O)=C1 CS-0647685 [0,0,0,0,1,1|0,1,0]=3