0 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,0,0,0,0|0,0,0]=0 19 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,0,0,0,0,0|0,0,4]=4 20 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,0,0,0,0,0|1,0,3]=4 22 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,0,0|1,1,0]=2 24 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.15 NNC(=O)C1C=CC=NC1 CNP0595154.0 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|0,0,0]=1 44 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,0,0,0,0,0|1,1,0]=3 58 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,0,0,0,0,0|1,1,0]=3 64 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|0,0,0]=1 70 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [1,0,0,0,0,0|0,0,2]=3 74 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|1,1,0]=3 75 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,0,0|0,0,1]=2 80 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|0,0,0]=1 81 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|1,1,1]=4 98 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|2,1,0]=4 100 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.12 ON=C(NO)C1=CC=CN=C1 CNP0284226.0 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|2,1,0]=4 111 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,0,0,0,0|2,1,0]=4 150 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.222 CC1=CC=NC=C1C(=O)NN CNP0243010.0 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,1,0,0,0,0|0,0,0]=1 162 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,0,0,0,0|1,0,0]=2 166 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,0,1,0,0,0|3,0,0]=4 167 B11R2.1 BrC1=NOC2=NC=CC=C12 CNP0439531.0 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.1 CC1=C2C=CN=NC2=NO1 CNP0287324.0 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.1 CC1=C2C=NC=NC2=NO1 CNP0000833.0 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.1 CC1=C2C=NN=CC2=NO1 CNP0116128.0 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 CC1=C2N=NC=CC2=NO1 CNP0097244.0 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,1,0,0|2,0,1]=4 175 B11R2.1 ClC1=NOC2=NC=CC=C12 CNP0066661.0 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 N=C1OC=C2C1=CN=CN2 CNP0139746.0 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.1 N=C1OC=C2N1C=CC=N2 CNP0001117.0 [0,0,0,1,0,0|2,0,1]=4 178 B11R2.1 N=C1OC=C2N1C=NC=C2 CNP0001024.0 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.1 N=C1ON=C2C1=CC=CN2 CNP0272100.0 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.1 N=C1ON=C2C1=CNC=C2 CNP0283866.0 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.1 N=C1ONC2=CC=NC=C12 CNP0173963.0 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.1 NC1=C2C=CC=NC2=NO1 CNP0001255.0 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.1 NC1=C2C=CN=NC2=CO1 CNP0001008.0 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.1 NC1=C2C=NC=CC2=NO1 CNP0277328.0 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.1 NC1=C2C=NC=NC2=CO1 CNP0013703.0 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.1 NC1=C2C=NN=CC2=CO1 CNP0284959.0 [0,0,0,1,0,0|2,0,1]=4 187 B11R2.1 NC1=C2N=CC=NC2=CO1 CNP0001001.0 [0,0,0,1,0,0|2,0,1]=4 188 B11R2.1 NC1=C2N=NC=CC2=CO1 CNP0001015.0 [0,0,0,1,0,0|2,0,1]=4 189 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.1 NC1=NOC2=CC=NC=C12 CNP0001313.0 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.1 NC1=NOC2=NC=CC=C12 CNP0001338.0 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|2,0,0]=3 195 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,1,0,0|2,0,1]=4 198 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|2,0,0]=3 199 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,1,0,0|2,0,0]=3 200 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|1,0,0]=2 202 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|2,0,1]=4 203 B11R2.1 OC1=NNC2=CC=NC=C12 CNP0001328.0 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,0,0,1,0,0|3,0,0]=4 207 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,0,0,1,0|1,0,1]=3 208 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,0,0,1,0|2,0,0]=3 209 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,0,0,1,0|2,0,0]=3 210 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,0,0,0,1,0|2,0,0]=3 211 B9R1.11 CCC(=O)N1C=CN=C1 CNP0053427.0 [0,0,0,0,1,0|2,0,0]=3 212 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,0,0,0,1,0|0,0,1]=2 213 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,0,0,0,1,0|1,0,0]=2 214 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,0,0,0,1,0|1,0,0]=2 215 B9R1.11 COC(=O)C1=CSN=N1 CNP0045688.0 [0,0,0,0,1,0|2,0,0]=3 216 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,0,0,0,1,0|1,0,0]=2 217 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,0,0,0,1,0|1,0,2]=4 218 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,0,0,0,1,0|1,0,0]=2 219 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,0,0,0,1,0|0,0,3]=4 220 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,0,0,0,1,0|1,1,0]=3 221 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,0,0,0,1,0|3,0,0]=4 222 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,0,0,0,1,0|3,0,0]=4 223 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,0,1|2,0,0]=3 224 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,0,1|2,0,0]=3 225 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,0,1|2,0,0]=3 226 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,0,1|2,0,0]=3 227 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,0,1|2,0,0]=3 228 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,0,0,0,0,1|1,0,2]=4 229 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,0,1|1,0,0]=2 230 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,0,1|1,1,0]=3 231 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,0,1|3,0,0]=4 232 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,0,0,0,0,1|3,0,0]=4 233 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,0,1|2,0,0]=3 234 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,0,1|3,0,0]=4 235 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,0,1|3,0,0]=4 236 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,0,0,0,0,1|1,0,0]=2 237 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,0,1,0,0,0|0,0,1]=3 238 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|1,0,1]=4 239 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [1,0,1,0,0,0|2,0,0]=4 240 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,0,1,0,0,0|1,0,1]=4 241 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|1,0,1]=4 242 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|1,0,1]=4 243 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|1,0,1]=4 244 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|1,0,1]=4 245 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|0,0,1]=3 246 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [2,0,0,0,0,0|1,0,1]=4 247 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,1]=4 248 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|0,0,1]=3 249 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 252 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|0,0,0]=2 254 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 255 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,1,0]=4 257 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [2,0,0,0,0,0|1,1,0]=4 258 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [2,0,0,0,0,0|1,0,1]=4 259 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|1,0,1]=4 263 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|0,0,0]=2 264 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|1,0,1]=4 266 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|0,0,1]=3 267 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|1,1,0]=4 268 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|0,1,1]=4 269 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|1,0,1]=4 270 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [0,1,1,0,0,0|2,0,0]=4 271 B10R0.55 COC(=O)C=CC=CC(=O)O CNP0394704.0 [0,1,1,0,0,0|2,0,0]=4 272 B10R0.74 CC=CC#CC=CC(=O)OC CNP0382166.0 [0,1,1,0,0,0|1,0,1]=4 273 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|1,0,0]=3 274 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|0,0,0]=2 284 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,1,0,0,0,0|0,0,1]=3 304 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,1,0,0,0,0|1,1,0]=4 306 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [1,1,0,0,0,0|0,0,1]=3 308 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.61 NC(=O)C1C=NC=CC1=O CNP0547525.0 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,1,0,0,0,0|0,0,0]=2 340 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,1,0,0,0,0|0,0,1]=3 341 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [1,1,0,0,0,0|0,0,2]=4 360 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [1,1,0,0,0,0|0,0,2]=4 361 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.4 CC1=CC=NC=C1C=NO CNP0030608.0 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,1,0,0,1,0|2,0,0]=4 404 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,1,0,0,1,0|2,0,0]=4 405 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,1,0,0,1,0|0,0,1]=3 406 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,1,0,0,1,0|1,0,0]=3 407 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.11 CCOC(=O)C1=CSN=N1 CNP0040312.0 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.11 CCOC(=O)N1C=CN=C1 CNP0182750.0 [0,1,0,0,1,0|1,0,0]=3 411 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.14 CCC(=O)C1=NC(=CS1)C CNP0322098.0 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.14 COC(=O)C1=CC(=CN1)Br CNP0239770.0 [0,1,0,0,1,0|0,0,1]=3 414 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [0,1,0,0,1,0|0,0,1]=3 415 B10R1.14 COC(=O)C1=CC=C(N1)Br CNP0436786.0 [0,1,0,0,1,0|0,0,1]=3 416 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,1,0,0,1,0|0,0,1]=3 417 B10R1.14 COC(=O)C1=CCC(=O)N1 CNP0609465.0 [0,1,0,0,1,0|0,0,2]=4 418 B10R1.14 COC(=O)C1=NOC(=C1)C CNP0325290.0 [0,1,0,0,1,0|1,0,0]=3 419 B10R1.14 COC(=O)N1C=CC(=N1)C CNP0037180.0 [0,1,0,0,1,0|1,0,0]=3 420 B10R1.23 C=C(C)C(=O)N1C=CN=C1 CNP0302213.0 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,1,0,0,1,0|2,0,0]=4 424 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [0,1,0,0,1,0|1,0,1]=4 426 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,0,1,0|1,0,0]=3 427 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [0,1,0,0,1,0|1,0,0]=3 428 B10R1.149 COC(=O)N1N=CC=C1C CNP0206322.0 [0,1,0,0,1,0|1,0,0]=3 429 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,1,0,0,0,1|2,0,0]=4 430 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,1,0,0,0,1|2,0,0]=4 431 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,1,0,0,0,1|2,0,0]=4 432 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,1,0,0,0,1|1,0,0]=3 433 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,1,0,0,0,1|1,0,0]=3 434 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,1,0,0,0,1|1,1,0]=4 435 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,1,0,0,0,1|2,0,0]=4 436 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,0,1|1,0,0]=3 437 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,0,1|1,0,0]=3 438 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,1,0,0,0,1|1,0,0]=3 439 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [0,1,0,0,0,1|0,0,0]=2 440 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,1,0,0,0,1|1,0,0]=3 441 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,1,0,0,0,1|1,0,0]=3 442 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [0,1,0,0,0,1|0,0,0]=2 443 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,1,0,0,0,1|1,0,0]=3 444 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,1|2,0,0]=4 445 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,1|2,0,0]=4 446 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,1,0,0,0,1|2,0,0]=4 448 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,1,0,0,0,1|2,0,0]=4 449 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 CNP0348092.0 [0,1,0,0,0,1|2,0,0]=4 450 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,1,0,0,0,1|2,0,0]=4 452 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,0,1|2,0,0]=4 453 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,1,0,0,0,1|1,0,0]=3 454 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,1,0,0,0,1|2,0,0]=4 455 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,1,0,0,0,1|2,0,0]=4 456 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,0,0,0,1|1,0,0]=3 457 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,1,0,0,0,1|1,0,0]=3 458 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,1,0,0,0,1|1,0,0]=3 459 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CN=C1 CNP0487776.2 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.478 CN[C@H](C(=O)O)C1=CC=CN=C1 CNP0487776.1 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [0,2,0,0,0,0|0,0,0]=2 494 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N CNP0062891.0 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C CNP0202223.0 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.20 CN(O)C(=O)C1=CC=C(C=C1)Br CNP0048624.0 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O CNP0491895.0 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)Cl CNP0533621.0 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.367 COC(=O)C1=CC=C(C(=C1)N)O CNP0023118.0 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)N CNP0083419.0 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)O CNP0279680.0 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C CNP0334743.0 [0,2,0,0,0,0|0,0,1]=3 512 B12R1.367 COC(=O)C1=COC(=O)C(=C1)Br CNP0152101.0 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.3435 COC(=O)C1(C=CC(=O)C=C1)O CNP0590041.0 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.24 COC(=O)C1=CC=CC(=C1O)O CNP0158183.0 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.225 CC1=CC=CC(=C1)C(=O)N(C)C CNP0208738.0 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.358 CCC(=O)C1=CC(=CC(=C1)O)O CNP0081565.0 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)C CNP0134842.0 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)N CNP0330742.0 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)O CNP0192698.0 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.435 C=CC1=CN=CC(=C1)C(=O)OC CNP0167440.0 [0,2,0,0,0,0|0,0,0]=2 528 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.435 CCC1=CN=CC(=C1)C(=O)OC CNP0187965.0 [0,2,0,0,0,0|0,0,0]=2 530 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.77 COC(=O)C1=CC=CC=C1C=O CNP0436303.0 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.3441 COC(=O)C1=C(C=CC=C1O)C CNP0214787.0 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O CNP0175842.0 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,0,1,1,0,0|2,0,0]=4 538 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,0,1,1,0,0|2,0,0]=4 539 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,0,1,1,0,0|2,0,0]=4 540 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,0]=3 541 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|1,0,1]=4 542 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|2,0,0]=4 543 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|1,0,1]=4 544 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|2,0,0]=4 545 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [1,0,0,1,0,0|2,0,0]=4 546 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|1,0,1]=4 547 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|1,0,1]=4 548 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,1,0,0|2,0,0]=4 549 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,1,1,0|2,0,0]=4 550 B12R2.18 CC1=C(NC2=CN=CC=C12)N CNP0345607.0 [0,0,0,1,0,1|2,0,0]=4 551 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,0,0,1,0,1|2,0,0]=4 552 B12R2.18 CC1C(=O)OC2=CN=CC=C12 CNP0564077.0 [0,0,0,1,0,1|1,0,0]=3 553 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,0,0,1,0,1|2,0,0]=4 554 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,0,0,1,0,1|2,0,0]=4 555 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,0,0,1,0,1|2,0,0]=4 556 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,1|1,0,0]=3 557 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|2,0,0]=4 558 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|2,0,0]=4 559 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|2,0,0]=4 560 B12R2.24 O=C1CSC2=NC=CC=C2N1 CNP0047542.0 [0,0,0,1,0,1|2,0,0]=4 561 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [0,0,0,1,0,1|1,1,0]=4 562 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.1 O=CC1=CNC2=NC=CC=C12 CNP0197893.0 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.2 C1=CN=CC(=C1)C2=NCCC2 CNP0187035.0 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|1,0,0]=3 569 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,1,0,1,0,0|1,0,1]=4 571 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,1,0,1,0,0|0,0,0]=2 573 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.2028 C=C1CC(C2=CC=NC=C12)O CNP0199160.0 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.2028 N=C1OC(=O)C2=CC=CN=C12 CNP0140879.0 [0,1,0,1,0,0|0,0,1]=3 578 B12R2.2028 O=C1NC(=O)C2=NC=CC=C12 CNP0042197.0 [0,1,0,1,0,0|1,0,1]=4 579 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,1,0,0|1,0,1]=4 580 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [0,1,0,1,0,0|0,0,1]=3 581 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|1,0,0]=3 582 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|1,0,0]=3 587 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|1,0,0]=3 592 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|1,0,0]=3 593 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|1,0,0]=3 596 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|0,0,1]=3 597 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|1,0,0]=3 598 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|1,0,0]=3 599 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|1,0,0]=3 600 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,0,0,0,1,0|1,0,0]=3 601 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,0,0,0,1,0|1,0,0]=3 602 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|1,0,0]=3 603 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [1,0,0,0,1,0|1,0,0]=3 604 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [1,0,0,0,1,0|2,0,0]=4 605 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,0,0,0,1,0|1,0,1]=4 606 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,0,0,0,1,0|2,0,0]=4 607 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [1,0,0,0,1,0|2,0,0]=4 608 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [1,0,0,0,1,0|2,0,0]=4 609 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [1,0,0,0,1,0|2,0,0]=4 610 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|2,0,0]=4 611 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,0,0,0,1,0|0,0,1]=3 612 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,0,0,0,1,0|1,0,0]=3 613 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [1,0,0,0,1,0|1,0,0]=3 614 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|0,0,1]=3 615 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [1,0,0,0,1,0|1,0,0]=3 616 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|1,0,0]=3 617 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [1,0,0,0,1,0|1,0,0]=3 618 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|1,0,0]=3 619 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [1,0,0,0,1,0|1,0,0]=3 620 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [1,0,0,0,1,0|2,0,0]=4 621 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [1,0,0,0,1,0|1,0,0]=3 622 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,0,0,0,1,0|2,0,0]=4 623 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,1,0|1,0,1]=4 624 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,0,2|2,0,0]=4 625 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,0,2|2,0,0]=4 626 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,0,2|2,0,0]=4 627 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,0,2|2,0,0]=4 628 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,0,2|1,0,0]=3 629 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,0,2|0,0,0]=2 630 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,0,2|1,0,0]=3 631 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,0,2|1,1,0]=4 632 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,0,2|2,0,0]=4