0 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [1,0,0,0,0,0|0,0,1]=2 2 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [1,0,0,0,0,0|0,1,1]=3 3 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.11 O=CNC(=O)C1=CC=CN1 CNP0189867.0 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [1,0,0,0,0,0|0,0,1]=2 7 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.15 CCC(=O)CC(=O)C1=CC=CN1 CNP0583528.0 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.15 COC(=O)NC(=O)C1=CC=CN1 CNP0432685.0 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.144 C=C(C)CC(=O)C1=C(C=CO1)C CNP0566600.0 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.144 CC(=CC(=O)C1=C(C=CO1)C)C CNP0158300.0 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.144 CC1=C(OC=C1)C(=O)CC(C)C CNP0309243.0 [0,1,0,0,0,0|1,0,1]=3 17 B12R2.6 O=C1C=C(CO1)C2=CC=CO2 CNP0215277.0 [0,0,0,1,0,0|2,0,1]=4 18 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,0,0,1,0,0|2,0,1]=4 19 B12R2.246 CC1=CC(=O)OC2=C1OC=C2 CNP0311589.0 [0,0,0,1,0,0|2,0,1]=4 20 B12R2.246 O=C1NC(=O)C2=C(N1)C=CS2 CNP0498050.0 [0,0,0,1,0,0|2,1,0]=4 21 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,0,0,0,1,0|0,0,0]=1 22 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,0,0,0,1,0|0,1,0]=2 23 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,0,0,0,1,0|1,0,1]=3 25 B10R1.23 O=C(C1=CC=CO1)C(O)O CNP0147414.0 [0,0,0,0,1,0|1,0,2]=4 26 B10R1.23 O=C(O)C(=O)C1=CNC=N1 CNP0372712.0 [0,0,0,0,1,0|3,0,0]=4 27 B12R1.54 CC(=CCC(=O)C1=COC=C1)C CNP0292759.0 [0,0,0,0,0,1|3,0,0]=4 28 B12R1.54 CC(=O)CCC(=O)C1=COC=C1 CNP0262889.0 [0,0,0,0,0,1|2,0,0]=3 29 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 CNP0131505.0 [0,0,0,0,0,1|1,0,0]=2 30 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,0,0,0,0,1|2,0,1]=4 31 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,0,0,0,0,1|1,0,0]=2 32 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,0,0,0,0,1|1,0,2]=4 33 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,0,0,0,0,1|1,0,2]=4 34 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,0,0,0,0,1|1,0,2]=4 35 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,0,0,0,0,1|3,0,0]=4 36 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [1,0,1,0,0,0|1,0,1]=4 37 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [2,0,0,0,0,0|0,0,0]=2 39 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [2,0,0,0,0,0|0,1,0]=3 40 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [2,0,0,0,0,0|1,1,0]=4 41 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [2,0,0,0,0,0|0,0,1]=3 46 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [2,0,0,0,0,0|0,0,2]=4 47 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [2,0,0,0,0,0|0,0,1]=3 48 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.15 CC1=CC=C(O1)C(C)CC=O CNP0108056.0 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.29 C=CCOC(=O)C1=CC=CO1 CNP0002876.0 [1,1,0,0,0,0|0,0,1]=3 53 B11R1.29 CCCCC(=O)C1=CC=CO1 CNP0002605.0 [1,1,0,0,0,0|0,0,1]=3 54 B11R1.29 CCCOC(=O)C1=CC=CO1 CNP0083141.0 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.29 COCNC(=O)C1=CC=CN1 CNP0458701.0 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.31 CCC(=O)C(=O)C1=CC=CO1 CNP0113129.0 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [1,1,0,0,0,0|0,0,1]=3 58 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [1,1,0,0,0,0|0,0,1]=3 61 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.90 C=C(C)CCC1=C(C=CO1)C CNP0194352.0 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.298 CC(=C(C=O)C1=CC=CO1)C CNP0137976.0 [0,1,0,0,1,0|1,0,0]=3 64 B11R1.314 CC(=O)C(=O)C1=CC=C(O1)C CNP0165601.0 [0,1,0,0,1,0|0,0,0]=2 65 B13R1.339 N[C@@H](CC(=O)C1=CC=CO1)C(=O)O CNP0312908.1 [0,1,0,0,0,1|1,0,0]=3 66 B13R1.339 N[C@@H](CC(=O)C1=CC=CS1)C(=O)O CNP0247041.2 [0,1,0,0,0,1|1,1,0]=4 67 B13R1.339 N[C@H](CC(=O)C1=CC=CS1)C(=O)O CNP0247041.1 [0,1,0,0,0,1|1,1,0]=4 68 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O CNP0180291.0 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.201 CC1=CC=CC=C1C(=O)CC(=O)N CNP0141279.0 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.201 NC1=CC=CC=C1C(=O)CC(=O)O CNP0081989.0 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 CNP0520871.0 [0,2,0,0,0,0|0,0,0]=2 72 B13R1.83 CCC(=O)C(C)C(=O)C1=CC=CN1 CNP0544962.0 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,0,1,1,0,0|1,0,1]=4 74 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,0,1,1,0,0|0,0,2]=4 75 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,0,1,1,0,0|2,0,0]=4 76 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,0,1,1,0,0|2,0,0]=4 77 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,0,1,1,0,0|2,0,0]=4 78 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,0,1,1,0,0|2,0,0]=4 79 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,0,1,1,0,0|2,0,0]=4 80 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,0,1,1,0,0|0,0,2]=4 81 B11R1.673 CC(=O)[C@@H]1C(=O)C=C(C1=O)C CNP0363698.1 [0,0,1,1,0,0|2,0,0]=4 82 B11R1.673 CC(=O)[C@H]1C(=O)C=C(C1=O)C CNP0363698.2 [0,0,1,1,0,0|2,0,0]=4 83 B11R2.2 C1=C(CCC1)C2=CC=CO2 CNP0085898.0 [1,0,0,1,0,0|1,0,1]=4 84 B11R2.2 C1=COC(=C1)C2=NCCC2 CNP0401428.0 [1,0,0,1,0,0|1,0,1]=4 85 B13R2.7098 O=C1C[C@H](N2C1=CC=C2)C(=O)O CNP0237109.1 [0,0,0,1,0,1|2,0,0]=4 86 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,0,0,1,0,1|2,0,0]=4 87 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,0,0,1,0,1|2,0,0]=4 88 B13R2.5393 CC1=CC(=O)C2=C(C1=O)C=CN2 CNP0233981.0 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [1,0,0,0,1,0|0,0,0]=2 90 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [1,0,0,0,1,0|1,0,0]=3 91 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [1,0,0,0,1,0|1,1,0]=4 92 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [1,0,0,0,0,1|1,0,1]=4 93 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [1,0,0,0,0,1|2,0,0]=4 94 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [1,0,0,0,0,1|2,0,0]=4 95 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,0,0,0,0,1|2,0,0]=4 96 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,1|1,0,1]=4 97 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,1|1,0,1]=4 98 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [1,0,0,0,0,1|0,0,1]=3 99 B11R1.172 CC(C)CN=CC1=CC=CO1 CNP0435049.0 [1,0,0,0,0,1|1,0,1]=4 100 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,0,0,0,1,1|1,0,0]=3 101 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,0,0,0,1,1|2,0,0]=4 102 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,0,0,0,1,1|2,0,0]=4 103 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,0,0,0,1,1|2,0,0]=4 104 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [0,0,0,0,0,2|2,0,0]=4 105 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,0,0,0,0,2|1,0,0]=3 106 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=N1 CNP0518693.0 [0,0,0,0,0,2|2,0,0]=4 107 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 CNP0508163.0 [0,0,0,0,0,2|2,0,0]=4 108 B13R1.45 NC(=O)CCC(=O)C1=CC=CN=C1 CNP0109565.0 [0,0,0,0,0,2|2,0,0]=4 109 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,0,0,0,0,2|2,0,0]=4 110 B13R1.45 O=C(O)CCC(=O)C1=CC=CN=C1 CNP0220622.0 [0,0,0,0,0,2|2,0,0]=4 111 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CNP0201196.0 [0,0,0,0,0,2|2,0,0]=4 112 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=N1 CNP0247858.0 [0,0,0,0,0,2|2,0,0]=4 113 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 CNP0229746.0 [0,0,0,0,0,2|2,0,0]=4 114 B13R1.342 CN(C)CCOC(=O)C1=CC=CO1 CNP0371282.0 [0,0,0,0,0,2|2,0,0]=4 115 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,0,0,0,0,2|2,0,0]=4 116 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,0,0,0,0,2|2,0,0]=4 117 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 CNP0071010.0 [0,0,0,0,0,2|2,0,0]=4 118 B13R1.593 CC(=O)CC(C)SCC1=CC=CO1 CNP0084728.0 [0,0,0,0,0,2|1,0,1]=4 119 B13R1.593 CC(C)CC(=O)OCC1=CC=CO1 CNP0002588.0 [0,0,0,0,0,2|1,0,1]=4