0 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,0,0,0,0,0|0,0,2]=2 13 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,0,0,0,0,0|1,0,2]=3 15 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,0|0,0,2]=3 34 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,0,0,0,0|0,0,2]=3 38 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,0,0,0,0|1,1,0]=3 40 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,0,0,0,0,0|1,1,1]=4 41 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,0,0|0,0,1]=2 43 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,0,0|0,0,1]=2 44 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [1,0,0,0,0,0|0,0,3]=4 45 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,0,0|0,0,1]=2 47 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,0,0|1,1,0]=3 52 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,0,0|0,0,3]=4 53 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,0,0|1,0,2]=4 57 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,0,0,0,0,0|2,1,0]=4 61 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,0,0,0,0,0|2,1,0]=4 65 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,0,0|1,0,1]=3 70 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,1,0,0,0,0|0,0,2]=3 72 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.34 CC(C1=CC=CC=C1)C(N)C=O CNP0518505.1 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.34 C[C@@H](C1=CC=CC=C1)N(C)C=O CNP0565966.1 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,0,0,0,0|0,0,0]=1 80 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] CNP0485758.0 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,0|0,0,0]=1 82 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,0|1,0,2]=4 85 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,0|0,0,2]=3 86 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,0|0,0,2]=3 88 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,0|1,0,2]=4 94 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,0|1,0,2]=4 104 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,1,0,0,0,0|0,0,2]=3 105 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,1,0,0,0,0|1,0,2]=4 106 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,0,0,0,0|0,0,0]=1 108 B12R1.118 N#CC(=CC1=CC=CC=C1)C#N CNP0055306.0 [0,1,0,0,0,0|1,0,2]=4 109 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,1,0,0,0,0|0,0,2]=3 110 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,0,0,1,0,0|1,0,1]=3 112 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,0,0,1,0,0|0,0,2]=3 114 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,0,0,1,0,0|0,0,2]=3 115 B12R2.18 CC1=[N+](C2=CC=CC=C2S1)[O-] CNP0536577.0 [0,0,0,1,0,0|2,0,1]=4 116 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,0,0,1,0,0|0,0,2]=3 117 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,0,0,1,0,0|0,0,2]=3 118 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,0,0,1,0,0|2,0,1]=4 121 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,0,0,1,0,0|2,0,0]=3 122 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,1,0,0|1,0,0]=2 123 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,0,0,1,0,0|2,0,0]=3 125 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,0,0,1,0,0|1,0,0]=2 129 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.24 CC1=CN=C2N=CC=CC2=C1 CNP0538871.0 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,0,0,1,0,0|2,0,0]=3 134 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,0|2,0,1]=4 138 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,1,0,0|1,0,0]=2 145 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,0,0,1,0,0|1,0,1]=3 146 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,0,0,1,0,0|1,0,0]=2 147 B12R2.32 ON=C1CC2=CC=CC=C2C1 CNP0396553.0 [0,0,0,1,0,0|1,0,2]=4 148 B12R2.2051 C=C[C@@]1(CC2=CC=CC=C12)C CNP0056455.2 [0,0,0,1,0,0|1,0,2]=4 149 B12R2.2051 C=C[C@]1(CC2=CC=CC=C12)C CNP0056455.1 [0,0,0,1,0,0|1,0,2]=4 150 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,1,0|2,0,1]=4 151 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,0,0,1,0|0,0,1]=2 152 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,0,0,0,1,0|1,0,1]=3 153 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,1,0|2,0,0]=3 154 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,0,0,0,1,0|2,0,1]=4 155 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,0,0,0,1,0|3,0,0]=4 156 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,0,0,0,1,0|3,0,0]=4 157 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,0,0,0,1,0|1,0,1]=3 158 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,0,0,0,1,0|2,0,1]=4 159 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,0,0,0,1,0|0,0,1]=2 160 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,0,0,0,1,0|2,0,1]=4 161 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,1,0|1,0,0]=2 162 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,1,0|2,0,1]=4 163 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,1,0|1,0,2]=4 164 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,0,0,0,1,0|1,0,0]=2 165 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,1,0|3,0,0]=4 166 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,0,0,0,1,0|2,0,1]=4 167 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,1,0|3,0,0]=4 168 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,1,0|2,0,1]=4 169 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,1,0|3,0,0]=4 170 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,0,0,0,1,0|1,0,2]=4 171 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,0,0,0,1,0|0,0,3]=4 172 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,0,0,0,1,0|2,0,1]=4 173 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,0,0,0,1,0|1,0,2]=4 174 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,1,0|2,0,1]=4 175 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,0,0,0,1,0|2,0,1]=4 176 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,1,0|2,0,1]=4 177 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,1,0|3,0,0]=4 178 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,1,0|2,0,1]=4 179 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,1,0|1,0,2]=4 180 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,1,0|2,0,1]=4 181 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,1,0|1,0,0]=2 182 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,0,0,0,1,0|1,0,1]=3 183 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,0,0,1,0|1,0,1]=3 184 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,0,0,0,1,0|1,0,0]=2 185 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [0,0,0,0,1,0|1,0,0]=2 186 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,0,0,0,0,1|1,0,1]=3 187 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,0,0,0,0,1|0,0,2]=3 188 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,0,1|3,0,0]=4 189 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,0,1|3,0,0]=4 190 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,0,1|2,0,1]=4 191 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|1,0,1]=4 192 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,1]=3 193 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,0]=2 196 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,2]=4 199 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,1]=4 200 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,1]=4 202 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|1,0,1]=4 204 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,1]=3 206 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|1,0,1]=4 210 B11R0.106 CC(=CC=CC=C(C)C=O)C=O CNP0344167.0 [0,1,1,0,0,0|1,0,0]=3 211 B11R0.174 CC(=CC=CC(=CC=O)C)C=O CNP0344169.0 [0,1,1,0,0,0|1,0,0]=3 212 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,1,0,0,0,0|0,0,0]=2 213 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|0,0,2]=4 216 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [1,1,0,0,0,0|0,0,2]=4 217 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|0,0,2]=4 219 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [1,1,0,0,0,0|0,0,0]=2 222 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [1,1,0,0,0,0|0,0,0]=2 225 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,1,0,0,0,0|0,0,0]=2 231 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,1,0,0,0,0|0,0,2]=4 232 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [1,1,0,0,0,0|0,0,1]=3 233 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,1,0,0,0,0|0,1,1]=4 234 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,1,0,0,0,0|0,0,0]=2 236 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,1,0,0,0,0|0,0,2]=4 237 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [1,1,0,0,0,0|0,0,2]=4 240 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,1,0,0,0,0|0,0,0]=2 241 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,1,0,0,0,0|0,0,2]=4 242 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,1,0,0,0,0|0,0,2]=4 248 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,1,0,0,0,0|0,0,0]=2 249 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [1,1,0,0,0,0|0,0,2]=4 251 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,1,0,0,0,0|0,0,2]=4 252 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,1,0,0,0,0|0,0,1]=3 256 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,1,0,0,0,0|0,0,1]=3 257 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,1,0,0,0,0|0,0,1]=3 258 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [1,1,0,0,0,0|0,0,1]=3 274 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [1,1,0,0,0,0|0,0,2]=4 276 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [0,1,0,0,1,0|1,0,1]=4 315 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,1,0,0,1,0|0,0,0]=2 316 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,1,0,0,1,0|1,0,1]=4 317 B11R1.12 N#CC(=CCl)C1=CC=CC=C1 CNP0261686.0 [0,1,0,0,1,0|1,0,1]=4 318 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,1,0|0,0,1]=3 319 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,0,0,1,0|1,0,0]=3 320 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,1,0,0,1,0|1,0,1]=4 321 B11R1.39 C=CC(=CC1=CC(=CO1)C)C CNP0161255.0 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.84 CCC(=CC1=CC=CO1)C=O CNP0002698.0 [0,1,0,0,1,0|1,0,0]=3 323 B13R1.14 CN(C=O)CCC1=CC=C(C=C1)O CNP0198499.0 [0,1,0,0,0,1|1,0,1]=4 324 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,1,0,0,0,1|2,0,0]=4 325 B13R1.42 CC(=CC#N)N=NC1=CC=CC=C1 CNP0449260.0 [0,1,0,0,0,1|2,0,0]=4 326 B13R1.42 CC(=NNC1=CC=CC=C1)C=NO CNP0080520.0 [0,1,0,0,0,1|1,0,1]=4 327 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 CNP0507165.0 [0,1,0,0,0,1|0,0,2]=4 328 B13R1.351 CC(=O)C(=CNC1=CC=CC=C1)C CNP0106967.0 [0,1,0,0,0,1|0,0,0]=2 329 B13R1.19 O=CNC(=O)CC1=CC=C(C=C1)O CNP0058327.0 [0,2,0,0,0,0|1,0,1]=4 330 B13R1.47 C[C@@H](NC=O)C(=O)C1=CC=CC=C1 CNP0197571.1 [0,2,0,0,0,0|0,0,1]=3 331 B13R1.47 C[C@H](NC=O)[C@H](O)C1=CC=CC=C1 CNP0226533.1 [0,2,0,0,0,0|0,0,2]=4 332 B13R1.79 CC[C@@H](CC1=CC=CC=C1)NC=O CNP0358452.2 [0,2,0,0,0,0|0,0,2]=4 333 B13R1.79 CC[C@H](CC1=CC=CC=C1)NC=O CNP0358452.1 [0,2,0,0,0,0|0,0,2]=4 334 B13R1.79 CSCC(=CC1=CC=CC=C1)C=O CNP0352550.0 [0,2,0,0,0,0|0,0,0]=2 335 B13R1.348 CC(=O)C=C(C)NC1=CC=CC=C1 CNP0070664.0 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,2,0,0,0,0|0,0,0]=2 337 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,2,0,0,0,0|0,0,2]=4 339 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,2,0,0,0,0|0,0,2]=4 340 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.348 NC(=O)NC(=O)OC1=CC=CC=C1 CNP0150119.0 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 CNP0071010.0 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.1327 CC(C)(CC1=CC=CC=C1)OC=O CNP0076754.0 [0,2,0,0,0,0|0,0,2]=4 344 B13R1.152 O=C(O)C(=C(Br)C1=CC=CC=C1)Br CNP0267224.0 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.152 O=C(O)C(=O)C(O)C1=CC=CC=C1 CNP0056799.0 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.133 CC(=CC1=CC=C(C=C1)I)C(=O)O CNP0438539.0 [0,2,0,0,0,0|0,0,0]=2 347 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Br CNP0058879.0 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Cl CNP0065177.0 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)I CNP0050257.0 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Br CNP0032596.0 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)C CNP0407432.0 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Cl CNP0046230.0 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)I CNP0058183.0 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O CNP0119097.0 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [0,2,0,0,0,0|1,0,1]=4 359 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)O)O CNP0185306.0 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.148 C[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0356280.1 [0,2,0,0,0,0|0,0,2]=4 362 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,2,0,0,0,0|0,0,2]=4 364 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,2,0,0,0,0|0,0,2]=4 366 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.418 CCC(=CC1=CC=CC=C1)C(=O)O CNP0325742.0 [0,2,0,0,0,0|0,0,0]=2 369 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,2,0,0,0,0|0,0,2]=4 370 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,2,0,0,0,0|0,0,2]=4 371 B13R1.418 COC(=CC1=CC=CC=C1)C(=O)O CNP0540263.0 [0,2,0,0,0,0|0,0,0]=2 372 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,2,0,0,0,0|0,0,2]=4 373 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,2,0,0,0,0|0,0,2]=4 374 B13R1.418 N#CC(=CC1=CC=CC=C1)C(=O)N CNP0128787.0 [0,2,0,0,0,0|0,0,1]=3 375 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,2,0,0,0,0|1,0,1]=4 376 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.418 O=C(O)[C@@H](CS)CC1=CC=CC=C1 CNP0581897.1 [0,2,0,0,0,0|0,0,2]=4 378 B13R1.418 O=C(O)[C@H](CI)CC1=CC=CC=C1 CNP0546564.1 [0,2,0,0,0,0|0,0,2]=4 379 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.2 [0,2,0,0,0,0|0,0,2]=4 380 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.1 [0,2,0,0,0,0|0,0,2]=4 381 B13R1.5 COC1=CC=C(C=C1)C=C(C)C=O CNP0094206.0 [0,2,0,0,0,0|0,0,0]=2 382 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [0,0,1,1,0,0|0,0,2]=4 383 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [0,0,1,1,0,0|1,0,1]=4 384 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,0,1,1,0,0|0,0,2]=4 385 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [1,0,0,1,0,0|2,0,0]=4 386 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [1,0,0,1,0,0|2,0,0]=4 387 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [1,0,0,1,0,0|1,0,0]=3 388 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,1]=4 390 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,1,0,0|1,0,1]=4 393 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,1,0,0|1,0,1]=4 394 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|1,0,0]=3 397 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,0,2]=4 398 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|1,0,1]=4 399 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,1]=4 400 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|1,0,0]=3 401 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|1,0,1]=4 402 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|1,0,1]=4 404 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [1,0,0,1,0,0|1,0,1]=4 405 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|1,0,1]=4 406 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,1,0,0|2,0,0]=4 407 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [1,0,0,1,0,0|0,0,2]=4 408 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [1,0,0,1,0,0|1,0,0]=3 409 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [1,0,0,1,0,0|2,0,0]=4 410 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [1,0,0,1,0,0|1,0,0]=3 411 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [1,0,0,1,0,0|2,0,0]=4 412 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [1,0,0,1,0,0|2,0,0]=4 413 B11R2.20 C1=CN=C2C=NC=CC2=C1 CNP0564328.0 [1,0,0,1,0,0|2,0,0]=4 414 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [1,0,0,1,0,0|1,0,0]=3 415 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [1,0,0,1,0,0|0,0,1]=3 416 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [1,0,0,1,0,0|0,1,0]=3 417 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [1,0,0,1,0,0|1,0,1]=4 418 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [1,0,0,1,0,0|1,1,0]=4 419 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [1,0,0,1,0,0|2,0,0]=4 422 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [1,0,0,1,0,0|1,0,1]=4 423 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [1,0,0,1,0,0|1,0,0]=3 424 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [1,0,0,1,0,0|1,0,0]=3 425 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [1,0,0,1,0,0|2,0,0]=4 427 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [1,0,0,1,0,0|1,0,1]=4 428 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,0,0,1,1,0|1,0,0]=3 429 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,0,0,1,1,0|1,0,1]=4 430 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,0,0,1,1,0|1,0,1]=4 431 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,0,0,1,1,0|2,0,0]=4 432 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,0,0,1,1,0|2,0,0]=4 433 B13R2.10 BrC1=CN(N=C1)C2=CC=CC=C2 CNP0443676.0 [0,0,0,1,0,1|2,0,0]=4 434 B13R2.10 CN1C=NC(=C1)C2=CC=CC=C2 CNP0068270.0 [0,0,0,1,0,1|2,0,0]=4 435 B13R2.32 CC1=CC=C2C=CC=CC2=C1C CNP0125770.0 [0,0,0,1,0,1|1,0,0]=3 436 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CNP0079966.0 [0,0,0,1,0,1|0,0,1]=3 437 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1C CNP0554757.0 [0,0,0,1,0,1|2,0,0]=4 438 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1[O-] CNP0552927.0 [0,0,0,1,0,1|1,0,1]=4 439 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [0,0,0,1,0,1|0,0,0]=2 440 B13R2.32 CC1=NN=C2C=CC=CC2=C1C CNP0075368.0 [0,0,0,1,0,1|2,0,0]=4 441 B13R2.32 NC1=CN=C2C=CC=CC2=C1N CNP0531898.0 [0,0,0,1,0,1|2,0,0]=4 442 B13R2.32 NC1=C[NH+]=C2C=CC=CC2=C1N CNP0505604.0 [0,0,0,1,0,1|2,0,0]=4 443 B13R2.32 O=C1C(=COC2=CC=CC=C12)Br CNP0278171.0 [0,0,0,1,0,1|1,0,0]=3 444 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [0,0,0,1,0,1|1,0,0]=3 445 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CNP0130639.0 [0,0,0,1,0,1|1,0,1]=4 446 B13R2.32 OC1=CN=C2C=CC=CC2=C1O CNP0037450.0 [0,0,0,1,0,1|1,0,1]=4 447 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [0,0,0,1,0,1|2,0,0]=4 448 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [0,0,0,1,0,1|1,0,1]=4 449 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 CNP0376757.0 [0,0,0,1,0,1|0,0,2]=4 450 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,0,0,1,0,1|0,0,1]=3 451 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CNP0375851.0 [0,0,0,1,0,1|1,0,1]=4 452 B13R2.15 CC1=CNC=C1C2=CC=CC=C2 CNP0158386.0 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.31 O=C1C[C@H](N1)SC2=CC=CC=C2 CNP0064455.1 [0,1,0,1,0,0|1,0,1]=4 454 B13R2.135 CC1=C(C2=CC=CC=C2C1)C#N CNP0036411.0 [0,1,0,1,0,0|1,0,1]=4 455 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O CNP0132549.0 [0,1,0,1,0,0|1,0,0]=3 456 B13R2.135 O=CC1=C(NC2=CC=CC=C12)Br CNP0015864.0 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.135 O=CC1=C(NC2=CC=CC=C12)S CNP0043669.0 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.135 O=CC1C(=O)CC2=CC=CC=C12 CNP0532845.0 [0,1,0,1,0,0|1,0,1]=4 459 B13R2.135 O=CC1C(=O)NC2=CC=CC=C12 CNP0400294.0 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.328 CC1=CC(=C2C=CC=CC2=C1)C CNP0318754.0 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)C CNP0211039.0 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)N CNP0568512.0 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)O CNP0344629.0 [0,1,0,1,0,0|1,0,1]=4 464 B13R2.328 CC1=CC(=C2C=CC=CC2=[NH+]1)N CNP0537497.0 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.328 CC1=CC(=C2N=CC=CC2=C1)C CNP0159578.0 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.328 CC1=CC(=S)C2=CC=CC=C2N1 CNP0143259.0 [0,1,0,1,0,0|1,1,0]=4 467 B13R2.328 CC1=CC2=CC=CC=C2C(=N1)C CNP0233687.0 [0,1,0,1,0,0|1,0,0]=3 468 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [0,1,0,1,0,0|0,0,0]=2 469 B13R2.328 CC1=CC2=CN=CC=C2C(=N1)Cl CNP0001232.0 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)C CNP0346769.0 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)O CNP0593568.0 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.328 CC1=NC(=O)C2=CC=CC=C2N1 CNP0502720.0 [0,1,0,1,0,0|1,0,0]=3 473 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 CNP0141617.0 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 CNP0418101.0 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.328 CC1=NC2=CC=CN=C2C(=O)N1 CNP0612006.0 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.328 C[C@H]1CC(=O)C2=CC=CC=C2O1 CNP0503770.1 [0,1,0,1,0,0|1,0,1]=4 477 B13R2.328 C[C@H]1CC2=CC=CC=C2C(=O)O1 CNP0277151.1 [0,1,0,1,0,0|0,0,2]=4 478 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CNP0526004.0 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.328 O=C1C=C(OC2=CC=CC=C12)O CNP0038758.0 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,1,0,0|1,0,1]=4 481 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,1,0,0|1,0,1]=4 482 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.328 OC1=CC(=C2C=CC=CC2=C1)O CNP0419188.0 [0,1,0,1,0,0|1,0,1]=4 485 B13R2.45 CC1=C(CC2=CC=CC=C12)C#N CNP0059900.0 [0,1,0,1,0,0|1,0,1]=4 486 B13R2.45 O=C1C(=CC2=CC=CC=C12)CO CNP0194849.0 [0,1,0,1,0,0|0,0,0]=2 487 B13R2.45 O=C1C(=NO)NC2=CC=CC=C12 CNP0275285.0 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.45 O=CC1=C(N2C=CC=CC2=N1)Br CNP0024091.0 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.3076 CC1=C(C1(C)C2=CC=CC=C2)C CNP0518604.0 [0,1,0,1,0,0|1,0,1]=4 490 B13R2.3085 CC1=C(C(C2=CC=CC=C12)C)C CNP0214533.0 [0,1,0,1,0,0|1,0,1]=4 491 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O CNP0399263.0 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@@H]1O CNP0068358.2 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@H]1O CNP0068358.1 [0,1,0,1,0,0|1,0,1]=4 495 B13R2.369 CC1=CC2=CC=CC=C2C=C1C CNP0221248.0 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.369 CC1=CC2=CC=CC=C2N=C1C CNP0267853.0 [0,1,0,1,0,0|1,0,0]=3 497 B13R2.369 CC1=CC2=CC=CC=C2N=C1O CNP0132288.0 [0,1,0,1,0,0|0,0,1]=3 498 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,1,0,1,0,0|0,0,0]=2 499 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.369 O=C1N=C2C=CC=CC2=NC1=O CNP0466838.0 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.369 O=C1NC2=CC=CC=C2NC1=O CNP0494204.0 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,1,0,1,0,0|1,0,0]=3 504 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.369 OC1=CC2=CC=CC=C2C=C1O CNP0610143.0 [0,1,0,1,0,0|1,0,1]=4 506 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,1,0,1,0,0|0,0,2]=4 507 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,1,0,1,0,0|0,0,2]=4 508 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,1,0,1,0,0|0,0,2]=4 509 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,1,0,1,0,0|0,0,2]=4 510 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,1,0,1,0,0|0,0,0]=2 511 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CNP0524572.0 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.435 N=C(N)C1=CC2=CC=CC=C2S1 CNP0483277.0 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CNP0273430.0 [0,1,0,1,0,0|1,0,0]=3 514 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CNP0251705.0 [0,1,0,1,0,0|1,0,0]=3 515 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CNP0443849.0 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 CNP0500150.0 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,1,0,1,0,0|1,0,1]=4 518 B13R2.5517 C[C@@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.2 [0,1,0,1,0,0|0,0,2]=4 519 B13R2.5517 C[C@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.1 [0,1,0,1,0,0|0,0,2]=4 520 B13R2.43 O=CC1=CC2=CC(=CC=C2O1)Br CNP0028867.0 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CNP0580911.0 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.3028 CC1=CC=C2OC(C(=O)C2=C1)C CNP0531484.0 [0,1,0,1,0,0|1,0,1]=4 523 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)Br CNP0515536.0 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)I CNP0574455.0 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)C CNP0206738.0 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.3683 CC1=CC=C2N=C(C=CC2=C1)C CNP0295261.0 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)N CNP0177097.0 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)O CNP0030837.0 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 CNP0467271.0 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Br CNP0032263.0 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Cl CNP0130218.0 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)O CNP0421775.0 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.54 CC1=CC=CC2=C1OC(=C2)C=O CNP0281709.0 [0,1,0,1,0,0|1,0,0]=3 535 B13R2.155 CC1=CC=C2C=CC(=CC2=C1)O CNP0109582.0 [0,1,0,1,0,0|1,0,0]=3 536 B13R2.155 CC1=CC=C2C=CC(=NC2=C1)C CNP0224653.0 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.155 OC1=CC=C2C=CC(=CC2=C1)O CNP0611657.0 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.4856 CC1=C(C2=C(C=CC=C2N1)O)C CNP0526314.0 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.4856 O=C1NC2=CC=CC(=C2C1=O)Cl CNP0569651.0 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.5179 CC1=CC=C2C(=CC=CC2=N1)N CNP0067447.0 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)C CNP0312669.0 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)N CNP0564606.0 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.5179 CC1=CC=C2C(=CC=[NH+]C2=C1)N CNP0510949.0 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.5179 OC1=CN=C2C(=CC=CC2=C1)O CNP0265313.0 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Br CNP0109029.0 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CNP0498882.0 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)O CNP0018641.0 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.243 C[C@@]1(CC2=CC=CC=C2C1=O)O CNP0096681.1 [0,1,0,1,0,0|0,0,2]=4 552 B13R2.243 C[C@]1(CC2=CC=CC=C2C1=O)O CNP0096681.2 [0,1,0,1,0,0|0,0,2]=4 553 B13R2.162 CC1=CC=C2C=CC=C(C2=C1)C CNP0154270.0 [0,1,0,1,0,0|1,0,0]=3 554 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)C CNP0207344.0 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)O CNP0029119.0 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)C CNP0309408.0 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)N CNP0596449.0 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CNP0192947.0 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.162 CC1=CC=C2[NH+]=CC=C(C2=C1)N CNP0593426.0 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.162 NC1=CC=CC2=CC=C(C=C12)O CNP0058557.0 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.162 OC1=CC=C2C=CC=C(C2=C1)O CNP0611675.0 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.4825 CC1=C(C2=CC=CC(=C2N1)C)C CNP0085660.0 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O CNP0567777.0 [0,1,0,1,0,0|2,0,0]=4 564 B13R3.28 C1=CC=C2C3=C(C3)C=CC2=C1 CNP0606380.0 [0,0,0,2,0,0|1,0,0]=3 565 B13R3.28 C1=CC=C2C3=C(O3)C=CC2=C1 CNP0085849.0 [0,0,0,2,0,0|2,0,0]=4 566 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [1,0,0,0,1,0|1,0,0]=3 567 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,1,0|0,0,0]=2 568 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,1,0|1,0,0]=3 569 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,0,0,0,1,0|2,0,0]=4 570 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,1,0|0,0,0]=2 571 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,1,0|1,0,0]=3 572 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,1,0|1,0,0]=3 573 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,1,0|1,0,0]=3 574 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,1,0|2,0,0]=4 575 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,1,0|0,0,2]=4 576 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,1,0|1,0,1]=4 577 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,1,0|1,0,1]=4 578 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,1,0|0,0,2]=4 579 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,1,0|1,0,1]=4 580 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,1,0|0,0,2]=4 581 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,1,0|1,0,1]=4 582 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,1,0|2,0,0]=4 583 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,1,0|1,0,0]=3 584 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,1,0|2,0,0]=4 585 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,1,0|2,0,0]=4 586 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,1,0|2,0,0]=4 587 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,1,0|2,0,0]=4 588 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,1,0|2,0,0]=4 589 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,1,0|2,0,0]=4 590 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,1,0|1,0,0]=3 591 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,1,0|2,0,0]=4 592 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,1,0|2,0,0]=4 593 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,1,0|2,0,0]=4 594 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,1,0|1,0,0]=3 595 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,1,0|1,0,0]=3 596 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,1,0|1,0,0]=3 597 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,1,0|1,0,0]=3 598 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,1,0|2,0,0]=4 599 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,1,0|2,0,0]=4 600 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,1,0|2,0,0]=4 601 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,1,0|2,0,0]=4 602 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,1,0|2,0,0]=4 603 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,1,0|2,0,0]=4 604 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,1,0|2,0,0]=4 605 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [1,0,0,0,1,0|1,0,1]=4 606 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [1,0,0,0,1,0|2,0,0]=4