0 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,0,0,0,0,0|0,0,2]=2 6 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,0,0|0,0,2]=2 13 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,0,0,0,0|0,0,0]=0 18 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,0,0|1,0,3]=4 35 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,0,0,0,0,0|1,0,1]=2 36 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,0,0,0,0,0|1,0,1]=2 37 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,0,0|1,0,2]=3 43 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,0,0|1,0,2]=3 44 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,0,0|1,0,3]=4 46 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,0,0,0,0,0|1,0,1]=2 47 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,0,0,0,0|1,0,2]=3 48 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,0,0,0,0,0|1,0,0]=1 50 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|0,0,2]=3 55 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|0,0,0]=1 67 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|2,0,1]=4 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|2,0,0]=3 86 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|0,0,2]=3 87 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|1,0,2]=4 88 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|0,0,2]=3 90 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|0,0,0]=1 92 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|1,0,0]=2 102 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [0,1,0,0,0,0|0,0,2]=3 120 B11R1.7 CC(C)(CO)C1=CC=CC=C1 CNP0520946.0 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.7 CC(C)(OO)C1=CC=CC=C1 CNP0082560.0 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.7 CC(O)(CO)C1=CC=CC=C1 CNP0122921.0 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.7 C[C@@](N)(CN)C1=CC=CC=C1 CNP0275184.1 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.7 C[C@](N)(C#N)C1=CC=CC=C1 CNP0276998.1 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,1,0,0,0,0|0,0,3]=4 126 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.12 CCN(CC)C1=CC=CC=C1 CNP0287297.0 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.12 CC[NH+](CC)C1=CC=CC=C1 CNP0485521.0 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,1,0,0,0,0|0,0,1]=2 135 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,1,0,0,0,0|0,0,1]=2 136 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|0,0,2]=3 139 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|0,1,1]=3 140 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|0,0,2]=3 141 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,1,0,0,0,0|0,0,0]=1 147 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|0,0,2]=3 149 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|0,0,3]=4 152 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,1,0,0,0,0|0,0,3]=4 153 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,1,0,0,0,0|0,0,2]=3 157 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,1,0,0,0,0|0,0,2]=3 158 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|0,0,2]=3 161 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|0,0,2]=3 162 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,0|0,0,1]=2 185 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,0|0,0,3]=4 186 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,0,0|0,0,2]=3 187 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,0,0,0,0|1,1,1]=4 191 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,0,0|0,0,2]=3 193 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,0,0|0,0,0]=1 194 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,0,0|0,0,0]=1 195 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,0,0|0,0,0]=1 196 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,0,0|0,0,0]=1 197 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,0,0|0,0,2]=3 199 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,0,0|0,0,0]=1 201 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,0,0|0,0,0]=1 202 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,0,0|0,0,0]=1 203 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,0,0|0,0,0]=1 204 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,0,0|0,0,2]=3 213 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.222 CCC(C)C1=NN=CC=C1C CNP0391366.0 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,0,0,0,0|1,0,2]=4 219 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|1,0,2]=4 220 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,1,0,0|1,0,2]=4 221 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,1,0,0|1,0,2]=4 223 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|1,0,0]=2 224 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|2,0,1]=4 226 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|2,0,1]=4 227 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|0,0,2]=3 228 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|1,0,2]=4 229 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|1,0,2]=4 230 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|1,0,2]=4 231 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|1,0,2]=4 232 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|1,0,2]=4 233 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|1,0,1]=3 234 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|2,0,1]=4 235 B11R2.1 ON1N=NC2=CC=CC=C12 CNP0077091.0 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|2,0,0]=3 237 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|2,0,0]=3 238 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|2,0,0]=3 239 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,0,0,1,0,0|1,0,2]=4 240 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,0,0,1,0,0|1,0,2]=4 241 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|1,0,2]=4 242 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|1,0,2]=4 243 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,0,0,1,0,0|2,0,1]=4 244 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,0,0,1,0,0|2,0,1]=4 245 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,0,0,1,0|1,0,2]=4 246 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,0,0,1,0|1,0,2]=4 247 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,0,0,1,0|1,0,2]=4 248 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,0,0,0,1,0|3,0,0]=4 249 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,0,0,0,1,0|2,0,0]=3 250 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,0,0,0,0,1|3,0,0]=4 251 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,0,1|2,0,1]=4 252 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,0,1|0,0,2]=3 253 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,0,1|0,0,2]=3 254 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,0,1|0,0,2]=3 255 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,0,0,0,0,1|1,0,0]=2 256 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,0,1|1,0,2]=4 257 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,0,0,0,0,1|2,0,0]=3 258 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,0,0,0,0,1|2,0,0]=3 259 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,0,1|1,0,2]=4 260 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,0,1|1,1,1]=4 261 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,0,0,0,0,1|2,0,1]=4 262 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,0,0,0,0,1|1,0,1]=3 263 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,0,0,0,0,1|2,0,1]=4 264 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,0,0,0,0,1|2,0,1]=4 265 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,0,0,0,0,1|2,0,1]=4 266 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,0,0,0,0,1|2,0,1]=4 267 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,0,0,0,0,1|2,0,0]=3 268 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,0,0,0,0,1|2,0,0]=3 269 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,0,1|1,0,2]=4 270 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,0,0,0,0,1|1,0,0]=2 271 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,0,0,0,0,1|1,0,0]=2 272 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,0,0,0,0,1|1,0,2]=4 273 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [1,0,1,0,0,0|0,0,1]=3 274 B8R0.8 C=C/C=C/[C@@H](O)[C@@H](C)O CNP0429194.1 [1,0,1,0,0,0|1,0,1]=4 275 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,1,0,0,0|0,0,2]=4 276 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|1,0,0]=3 277 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,1,0,0,0|1,0,1]=4 278 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,0,1,0,0,0|0,0,2]=4 279 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 280 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 281 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 282 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 291 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,2]=4 299 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,1]=4 300 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 301 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 302 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 303 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 304 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,1]=4 305 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 306 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 307 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 308 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 309 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 310 B10R0.46 C=C/C(=C\C(=O)[C@@H](C)CC)/C CNP0425329.1 [0,1,1,0,0,0|2,0,0]=4 311 B10R0.55 CC[C@H](C)/C=C/C=C/C(=O)O CNP0204010.1 [0,1,1,0,0,0|2,0,0]=4 312 B10R0.75 C=C/C=C/C=C/[C@H](O)[C@H](C)O CNP0243909.1 [0,1,1,0,0,0|0,0,0]=2 313 B10R0.75 CC(O)C(O)C=CC=CCO CNP0071798.0 [0,1,1,0,0,0|1,0,1]=4 314 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|0,0,2]=4 316 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|0,0,2]=4 317 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|0,0,2]=4 318 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|0,0,2]=4 319 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|0,0,2]=4 320 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|0,0,0]=2 331 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|0,0,2]=4 342 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|0,0,2]=4 343 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|0,0,2]=4 344 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|0,1,0]=3 346 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|0,0,2]=4 358 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|0,0,2]=4 359 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|0,0,0]=2 362 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|0,0,2]=4 377 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|0,0,2]=4 379 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|0,0,2]=4 380 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|0,0,2]=4 394 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,1,0,0,0,0|0,0,1]=3 415 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,1,0,0,0,0|0,0,2]=4 416 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,1,0,0,0,0|0,0,2]=4 417 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|0,0,1]=3 418 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|0,0,1]=3 419 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|0,0,0]=2 420 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|0,0,0]=2 426 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|0,0,0]=2 429 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,1,0,0,0,0|0,0,1]=3 434 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|0,0,2]=4 436 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|0,0,0]=2 437 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,1,0,0,0,0|0,0,1]=3 441 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,1,0,0,0,0|0,0,2]=4 444 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|0,0,0]=2 446 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|0,0,1]=3 452 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,1]=3 455 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|0,0,0]=2 466 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|1,0,1]=4 474 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,1,0,0,0,1|0,0,2]=4 475 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,1,0,0,0,1|0,0,2]=4 476 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,1,0,0,0,1|0,0,0]=2 477 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,1,0,0,0,1|0,0,2]=4 478 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,1,0,0,0,1|0,0,2]=4 479 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,1,0,0,0,1|0,0,2]=4 480 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,1,0,0,0,1|0,1,1]=4 481 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,1,0,0,0,1|1,0,1]=4 482 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,1,0,0,0,1|2,0,0]=4 483 B12R1.34 CNC(C)[C@@H](O)C1=CC=CC=C1 CNP0171581.6 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.34 CNC(C)[C@H](O)C1=CC=CC=C1 CNP0171581.7 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.5 [0,1,0,0,0,1|2,0,0]=4 486 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.4 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.2 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.34 CN[C@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.1 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.34 COC(O)C(=O)C1=CC=CC=C1 CNP0536152.0 [0,1,0,0,0,1|1,0,0]=3 490 B12R1.34 NC[C@@H](N)C(=O)C1=CC=CC=C1 CNP0340732.2 [0,1,0,0,0,1|2,0,0]=4 491 B12R1.34 NC[C@H](N)C(=O)C1=CC=CC=C1 CNP0340732.1 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,1|0,0,1]=3 493 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,1,0,0,0,1|0,0,2]=4 494 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,1,0,0,0,1|0,0,2]=4 495 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,1,0,0,0,1|0,0,2]=4 496 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,0,1|0,0,0]=2 497 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,0,1|1,0,0]=3 498 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,0,1|0,0,0]=2 499 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,1|1,0,1]=4 500 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,1|1,0,1]=4 502 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,1|1,0,1]=4 503 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,0,1|0,0,2]=4 504 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,1,0,0,0,1|1,0,0]=3 507 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,1,0,0,0,1|1,0,0]=3 508 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [0,1,0,0,0,1|1,0,1]=4 509 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 CNP0208726.0 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O CNP0085006.0 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.9 CC[C@@](C)(O)C1=CC=C(C=C1)C CNP0114687.2 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.9 CC[C@](C)(O)C1=CC=C(C=C1)C CNP0114687.1 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.9 COC(C)(C)C1=CC=C(C=C1)C CNP0279513.0 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0541877.0 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0548515.0 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)[O-] CNP0515842.0 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)[O-] CNP0546361.0 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.39 CNC[C@](C)(O)C1=CC=CC=C1 CNP0362211.2 [0,2,0,0,0,0|0,0,0]=2 519 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 CNP0359925.0 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 CNP0021992.1 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.3 C=CC(CC=O)C1=CC=CC=C1 CNP0002677.0 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 CNP0393554.0 [0,2,0,0,0,0|0,0,2]=4 523 B12R1.3 CCO[C@H](C#N)C1=CC=CC=C1 CNP0140613.1 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.3 CC[C@@H](NC=O)C1=CC=CC=C1 CNP0538754.1 [0,2,0,0,0,0|0,0,1]=3 525 B12R1.3 O=CN[C@@H](CO)C1=CC=CC=C1 CNP0504966.1 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.13 COC(OC)C1=CC=CC(=C1)C CNP0611238.0 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.243 CCC(CC)C1=CC=CC=C1O CNP0402285.0 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.478 CC(=O)[C@@H](C#N)C1=CC=CC=C1 CNP0076616.1 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 CNP0415741.0 [0,2,0,0,0,0|0,0,1]=3 532 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,2,0,0,0,0|0,0,2]=4 533 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 CNP0569843.0 [0,2,0,0,0,0|0,0,1]=3 534 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 CNP0002389.1 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 CNP0002389.2 [0,2,0,0,0,0|0,0,0]=2 536 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 CNP0318350.2 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CN=C1 CNP0487776.2 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 CNP0318350.1 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.478 CN[C@H](C(=O)O)C1=CC=CN=C1 CNP0487776.1 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.478 NC(=O)[C@@H](CO)C1=CC=CC=C1 CNP0503539.1 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 CNP0185259.1 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 CNP0185259.2 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|0,0,2]=4 547 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|0,0,2]=4 548 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,2,0,0,0,0|0,0,2]=4 549 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,2,0,0,0,0|0,0,2]=4 550 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|0,0,0]=2 552 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,2,0,0,0,0|0,0,2]=4 553 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|0,0,2]=4 555 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,2,0,0,0,0|0,0,2]=4 557 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,2,0,0,0,0|0,0,2]=4 558 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,2,0,0,0,0|0,0,2]=4 560 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,2,0,0,0,0|0,0,2]=4 561 B12R1.17 CNC[C@@H](O)C1=CC=CC(=C1)O CNP0319778.3 [0,2,0,0,0,0|0,0,0]=2 562 B12R1.17 CNC[C@H](O)C1=CC=CC(=C1)O CNP0319778.1 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,2,0,0,0,0|0,0,2]=4 564 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,2,0,0,0,0|0,0,2]=4 565 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,2,0,0,0,0|0,0,2]=4 568 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,2,0,0,0,0|0,0,2]=4 569 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,2,0,0,0,0|0,0,2]=4 570 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,2,0,0,0,0|0,0,2]=4 571 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,2,0,0,0,0|0,0,2]=4 572 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,2,0,0,0,0|0,0,2]=4 573 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,2,0,0,0,0|0,0,2]=4 578 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,2,0,0,0,0|0,0,2]=4 580 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,2,0,0,0,0|0,0,0]=2 581 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,2,0,0,0,0|0,0,1]=3 583 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,2,0,0,0,0|0,0,1]=3 586 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,2,0,0,0,0|0,0,1]=3 587 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,2,0,0,0,0|0,0,2]=4 588 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,2,0,0,0,0|0,0,2]=4 589 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,2,0,0,0,0|0,0,2]=4 591 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,2,0,0,0,0|0,0,2]=4 593 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,2,0,0,0,0|0,0,2]=4 594 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|0,0,2]=4 595 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|0,0,0]=2 597 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,2,0,0,0,0|0,0,1]=3 601 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.4 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.20 C[C@@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.2 [0,2,0,0,0,0|0,0,0]=2 603 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,2,0,0,0,0|0,0,0]=2 604 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,2,0,0,0,0|0,0,0]=2 605 B12R1.20 C[C@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.1 [0,2,0,0,0,0|0,0,0]=2 606 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.3 [0,2,0,0,0,0|0,0,0]=2 607 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,2,0,0,0,0|0,0,0]=2 608 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [0,2,0,0,0,0|0,0,2]=4 613 B12R1.367 CC[C@@H](C)C1=CC=C(C(=O)O1)C CNP0431455.1 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.367 CC[C@H](C)C1=CC(=C(C=N1)C)C CNP0297045.1 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.367 N#CC(O)C1=CC=C(C(=C1)O)O CNP0085424.0 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.225 C[C@@H](C1=CC=CC(=C1)O)N(C)C CNP0551992.1 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(=C1)O CNP0262047.1 [0,2,0,0,0,0|0,0,0]=2 624 B12R1.225 O=C(O)[C@@H](O)C1=CC=CC(=C1)O CNP0133718.2 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(=C1)O CNP0133718.1 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.354 CC1=CC=C(C(=C1)C(C)CO)O CNP0507522.0 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [0,2,0,0,0,0|0,0,0]=2 628 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [0,2,0,0,0,0|0,0,0]=2 629 B12R1.358 CCC(=O)C1=CC(=CC(=C1)O)O CNP0081565.0 [0,2,0,0,0,0|0,0,2]=4 630 B12R1.435 C=CC1=CC=CC(=C1)[C@@H](O)CO CNP0176380.1 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.435 C=CC1=CC=CC(=C1)[C@H](O)CO CNP0176380.2 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [0,2,0,0,0,0|0,0,2]=4 633 B12R1.435 CCC1=CC=CC(=C1)[C@H](O)CO CNP0170656.1 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.435 O=CC1=CC=CC(=C1)[C@@H](O)CO CNP0192523.1 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.124 CC1=CC=CC=C1[C@@H](O)C(=O)O CNP0017568.1 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.564 CC(C)(C)B(O)C1=CC=CC=C1 CNP0520582.0 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.564 CC(C)(C)[S@+]([O-])C1=CC=CC=C1 CNP0571258.2 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.564 CC(C)(C)[S@@+]([O-])C1=CC=CC=C1 CNP0571258.1 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.564 CC(C)(C)[S@@H+]([O-])C1=CC=CC=C1 CNP0582013.1 [0,2,0,0,0,0|1,0,1]=4 640 B12R1.564 CC(C)(O)[C@@H](O)C1=CC=CC=C1 CNP0049467.2 [0,2,0,0,0,0|0,0,0]=2 641 B12R1.564 CC(C)(O)[C@H](O)C1=CC=CC=C1 CNP0049467.1 [0,2,0,0,0,0|0,0,0]=2 642 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [0,2,0,0,0,0|0,0,2]=4 643 B12R1.3441 CC1=CC=CC(=C1[C@@H](O)CO)O CNP0239390.1 [0,2,0,0,0,0|1,0,0]=3 644 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,0]=2 645 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,0]=2 646 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,0]=3 647 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,0]=3 648 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 649 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 650 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 651 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 652 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,2]=4 653 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,0]=2 654 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,0]=2 655 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|1,0,0]=3 656 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|0,0,2]=4 657 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|0,0,0]=2 658 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|1,0,0]=3 659 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,0]=3 660 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,0]=3 661 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|2,0,0]=4 662 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|2,0,0]=4 663 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [1,0,0,1,0,0|0,0,2]=4 664 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|1,0,0]=3 665 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,1]=4 666 B12R2.18 C=C1C2=CC=CC=C2OC1O CNP0201067.0 [0,0,0,1,0,1|0,0,2]=4 667 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,0,0,1,0,1|0,0,1]=3 668 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,0,0,1,0,1|0,0,2]=4 669 B12R2.18 C[C@@H]1C2=CC=NC=C2C[C@H]1O CNP0245234.1 [0,0,0,1,0,1|1,0,0]=3 670 B12R2.18 C[C@@H]1C2=CN=CC=C2C[C@@H]1O CNP0103482.4 [0,0,0,1,0,1|1,0,0]=3 671 B12R2.18 C[C@@H]1C2=CN=CC=C2C[C@H]1O CNP0103482.1 [0,0,0,1,0,1|1,0,0]=3 672 B12R2.18 C[C@H]1C2=CN=CC=C2C[C@@H]1O CNP0103482.3 [0,0,0,1,0,1|1,0,0]=3 673 B12R2.18 C[C@H]1C2=CN=CC=C2C[C@H]1O CNP0103482.2 [0,0,0,1,0,1|1,0,0]=3 674 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,0,0,1,0,1|1,0,0]=3 675 B12R2.18 OC1=NC2=CC=CC=C2[C@@H]1O CNP0535565.1 [0,0,0,1,0,1|1,0,1]=4 676 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,0,0,1,0,1|1,0,0]=3 677 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,0,0,1,0,1|1,0,0]=3 678 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,0,1|2,0,0]=4 679 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|0,0,2]=4 680 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|0,0,2]=4 681 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|0,0,2]=4 682 B12R2.24 O[C@H]1CN=C2C=CC=CN2C1 CNP0248864.2 [0,0,0,1,0,1|2,0,0]=4 683 B12R2.24 O[C@H]1C[NH+]=C2C=CC=CN2C1 CNP0545554.1 [0,0,0,1,0,1|2,0,0]=4 684 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,0,0,1,0,1|1,0,1]=4 685 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,0,0,1,0,1|0,1,1]=4 686 B12R2.116 CC1(CNC1)C2=CC=CC=C2 CNP0381007.0 [0,1,0,1,0,0|1,0,0]=3 687 B12R2.2403 CC1(CNC2=CC=CC=C12)C CNP0335282.0 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|0,0,2]=4 690 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,1,0,1,0,0|1,0,1]=4 694 B12R2.2 C1=CN=CC(=C1)[C@@H]2CCCN2 CNP0110438.2 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.2 C1=CN=CC(=C1)[C@H]2CCCN2 CNP0110438.1 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|0,0,2]=4 697 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|0,0,2]=4 698 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|0,0,2]=4 699 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|0,0,2]=4 700 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|0,0,2]=4 701 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|0,0,2]=4 702 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|0,0,1]=3 703 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|0,0,0]=2 704 B12R2.2028 C=C1CC(C2=CC=NC=C12)O CNP0199160.0 [0,1,0,1,0,0|1,0,1]=4 705 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|0,0,1]=3 706 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|0,0,1]=3 707 B12R2.2028 CC1C=C(C2=CC=NC=C12)O CNP0075839.0 [0,1,0,1,0,0|1,0,1]=4 708 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|0,0,2]=4 710 B12R2.2028 C[C@@H]1C[C@H](C2=NC=CC=C12)C CNP0115326.1 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|0,0,2]=4 713 B12R2.2028 C[C@H]1C[C@H](C2=CC=NC=C12)O CNP0250441.1 [0,1,0,1,0,0|1,0,0]=3 714 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|1,0,1]=4 715 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,1,0,1,0,0|0,0,2]=4 716 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,1,0,1,0,0|0,0,0]=2 717 B12R2.290 CC1=CC=C(C=C1)C2(NN2)O CNP0347507.0 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.600 CC1C2=CC=C(C=C2C1C)Cl CNP0345606.0 [0,1,0,1,0,0|1,0,0]=3 719 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|0,0,2]=4 721 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|1,0,0]=3 722 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|0,0,2]=4 723 B12R2.612 OB1OCC2=CC(=CC=C12)Cl CNP0572392.0 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|0,0,2]=4 725 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|1,0,0]=3 726 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|0,0,2]=4 727 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,1,0,0|0,0,0]=2 728 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,1,0,0|0,0,0]=2 729 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|0,0,2]=4 730 B12R2.196 CC1=CN=CC2=C1CC[C@@H]2C CNP0181590.1 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.196 CC1=CN=CC2=C1CC[C@H]2C CNP0181590.2 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.92 ClC1(C[C@@H]1C2=CC=CC=C2)Cl CNP0057458.1 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.92 ClC1(C[C@H]1C2=CC=CC=C2)Cl CNP0057458.2 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.203 C[C@H]1CCC2=CC=CC(=C12)O CNP0249433.1 [0,1,0,1,0,0|1,0,0]=3 736 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|0,0,2]=4 737 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|1,0,1]=4 738 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,0,0,0,1,0|2,0,0]=4 739 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [1,0,0,0,1,0|2,0,0]=4 740 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,0,0,0,1,0|1,0,0]=3 741 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [1,0,0,0,1,0|1,0,0]=3 742 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,0,0,0,1,0|1,1,0]=4 743 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|1,0,0]=3 744 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|1,0,0]=3 745 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|1,0,0]=3 746 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,1,0|2,0,0]=4 747 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,0,0,0,1,0|2,0,0]=4 748 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|2,0,0]=4 749 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|2,0,0]=4 750 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,0,2|0,0,2]=4 751 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,0,2|0,0,2]=4 752 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,0,2|0,0,2]=4 753 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,0,0,0,0,2|1,0,0]=3 754 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,0,0,0,0,2|0,0,0]=2