0 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 20809 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.41 CCOC1=C(C=O)C=CC=C1 26869 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.41 COC1=C(CCN)C=CC=C1 32490 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [1,0,0,0,0,0|2,1,0]=4 7 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.89 COC1=C([C@@H](N)C(=O)O)C=CC=C1 16828 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.89 COC1=C([C@H](N)C(=O)O)C=CC=C1 16831 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.91 COC(=O)CC1=CC=CC=C1C#N 17819 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.380 CCOC1=C(CC(=O)O)C=CC=C1 27416 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.589 CC(=O)OC1=C(C(=O)O)C=CC=C1 01468 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 21938 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 21555 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.72 CC(=O)N1N=NC2=C1C=CC=C2 17890 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.163 O=C1CCCC2=CC=CC=C2N1 17373 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 27086 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 30387 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.581 COC1=CC=CC2=C1NC(=O)C2 21419 [0,0,0,1,0,0|1,0,0]=2 21 B11R1.53 COC1=C(B(O)O)C=CC=C1 30879 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.53 COC1=C(B(O)O)C=CC=C1 31432 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.53 COC1=C(C(=O)O)C=CC=C1 24458 [0,0,0,0,1,0|1,0,0]=2 24 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 27702 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.53 COC1=C([N+](=O)[O-])N=CC=C1 28226 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.53 COC1=CC=CC=C1C(=N)N 18733 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] 27480 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 27898 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.90 C=C(C)COC1=CC=CC=C1C=O 26561 [0,0,0,0,0,1|3,0,0]=4 30 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 26845 [0,0,0,0,0,1|2,0,0]=3 31 B10R1.20 COC1=C(C=O)N=CC=C1 17464 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.20 COC1=C(CO)C=CC=C1 14050 [2,0,0,0,0,0|0,0,2]=4 33 B10R1.20 COC1=C(OC)C=CC=C1 27166 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.20 COC1=CC=NC=C1C=O 17209 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.20 COC1=NC=CC=C1C=O 17146 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.20 O=CC1=C(C=O)C=CC=C1 31933 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [2,0,0,0,0,0|1,1,0]=4 42 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 27444 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 27375 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=N1 25058 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 29874 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=N1 28954 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 25921 [0,1,0,0,1,0|0,0,0]=2 48 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 25922 [0,1,0,0,1,0|0,0,0]=2 49 B12R1.46 COC1=CC=C(Br)C=C1[N+](=O)[O-] 27729 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.46 COC1=CC=C(Cl)C=C1C(C)=O 25920 [0,1,0,0,1,0|0,0,0]=2 51 B12R1.46 COC1=CC=C(N)C=C1C(=O)O 29175 [0,1,0,0,1,0|1,0,0]=3 52 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 29051 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 26838 [0,1,0,0,1,0|1,0,0]=3 54 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 27910 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.57 COC1=CC(F)=CC=C1C(C)=O 24953 [0,1,0,0,1,0|0,0,0]=2 56 B12R1.87 COC1=C(C(=O)O)C=CC=C1Br 27649 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl 28143 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.87 COC1=C(C)C=CC=C1C(C)=O 29292 [0,1,0,0,1,0|0,0,0]=2 59 B12R1.87 COC1=C(N)C=CC=C1C(=O)O 29184 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.437 COC1=CC=CC(C)=C1[N+](=O)[O-] 30842 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.437 COC1=CC=CC(N)=C1C(=O)O 28577 [0,1,0,0,1,0|1,0,0]=3 62 B14R1.482 CCOC1=C(\C=C\C(=O)O)C=CC=C1 27419 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 15632 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.3135 COC1=C(C[C@@H](N)C(=O)O)C=CC=C1 07200 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.3135 COC1=CC=CC=C1C[C@H](N)C(=O)O 05233 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.101 COC1=CC(OC)=C(CC(=O)O)C=C1 28152 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.3723 COC1=CC(CC(=O)O)=C(OC)C=C1 26909 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 25769 [0,0,1,1,0,0|2,0,0]=4 69 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 22059 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 21185 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [1,0,0,1,0,0|1,0,0]=3 74 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [1,0,0,1,0,0|1,1,0]=4 75 B12R2.315 COC1=C2NCCC2=CC=C1 20593 [1,0,0,1,0,0|1,0,1]=4 76 B12R2.315 COC1=CC=CC2=C1C=CN2 21948 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.315 COC1=CC=CC2=C1NC=C2 22066 [1,0,0,1,0,0|1,0,1]=4 78 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 21519 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 21289 [1,0,0,1,0,0|2,0,0]=4 80 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 21992 [0,0,0,1,0,1|1,0,1]=4 81 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 27749 [0,0,0,1,0,1|2,0,0]=4 82 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 17110 [0,0,0,1,0,1|2,0,0]=4 83 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 17781 [0,0,0,1,0,1|2,0,0]=4 84 B14R2.300 CC(=O)N1CCC2=C1C=CC(Br)=C2 21719 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.8235 CC1=CC(=O)OC2=C1C=C(O)C=C2 25770 [0,1,0,1,0,0|1,0,1]=4 86 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 20900 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 19932 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.741 NC1CCC2=C(C=CC=C2)NC1=O 17459 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br 17036 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.9440 CC(=O)OC1=C2NC=CC2=CC=C1 26103 [0,1,0,1,0,0|1,0,1]=4 91 B14R2.9440 CC(=O)OC1=CC=CC2=C1C=CN2 21186 [0,1,0,1,0,0|1,0,1]=4 92 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 26093 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 02029 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 21860 [0,1,0,1,0,0|1,0,1]=4 95 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [1,0,0,0,1,0|0,0,0]=2 96 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [1,0,0,0,1,0|1,0,0]=3 97 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [1,0,0,0,1,0|1,0,0]=3 98 B10R1.61 CC(=O)C1=C(N)C=CC=N1 17575 [1,0,0,0,1,0|2,0,0]=4 99 B10R1.61 CC(=O)C1=CC=CN=C1Br 18013 [1,0,0,0,1,0|2,0,0]=4 100 B10R1.61 CC(=O)C1=CC=CN=C1Cl 28803 [1,0,0,0,1,0|2,0,0]=4 101 B10R1.61 CC(=O)C1=CC=CN=C1N 17315 [1,0,0,0,1,0|2,0,0]=4 102 B10R1.61 CC1=C(C(=O)O)C=CN=C1 17262 [1,0,0,0,1,0|2,0,0]=4 103 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [1,0,0,0,1,0|2,0,0]=4 104 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [1,0,0,0,1,0|2,0,0]=4 105 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [1,0,0,0,1,0|2,0,0]=4 106 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [1,0,0,0,1,0|1,1,0]=4 107 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 31560 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.61 O=C(O)C1=C(F)C=CC=C1 30015 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [1,0,0,0,1,0|1,0,0]=3 111 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [1,0,0,0,1,0|1,0,0]=3 112 B10R1.61 O=C(O)C1=C(S)C=CC=C1 24480 [1,0,0,0,1,0|1,1,0]=4 113 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [1,0,0,0,1,0|1,0,0]=3 115 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [1,0,0,0,1,0|2,0,0]=4