0 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,0,0,0,0|0,0,4]=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|2,0,2]=4 5 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,0,0,0,0,0|0,0,2]=2 11 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,0,0|3,0,1]=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|3,0,1]=4 24 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,0,0,0,0,0|0,0,0]=0 28 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,0,0|1,0,1]=2 40 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,0,0|1,0,3]=4 43 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,0,0,0,0,0|1,0,2]=3 44 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,0,0,0,0|1,0,2]=3 45 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,0,0,0,0,0|1,0,0]=1 47 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|0,0,2]=3 50 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|0,0,2]=3 52 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|0,0,0]=1 56 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,0,0,0,0,0|0,0,2]=3 58 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|0,0,0]=1 64 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|0,0,0]=1 66 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [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|1,0,2]=4 87 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|0,0,2]=3 105 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|1,0,2]=4 106 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|1,0,2]=4 107 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|0,0,0]=1 109 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|1,1,1]=4 112 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|0,1,0]=2 113 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|2,1,0]=4 114 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.7 CC(C)(CO)C1=CC=CC=C1 CNP0520946.0 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.7 CC(C)(OO)C1=CC=CC=C1 CNP0082560.0 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.7 CC(O)(CO)C1=CC=CC=C1 CNP0122921.0 [0,1,0,0,0,0|0,0,0]=1 118 B11R1.7 C[C@@](N)(CN)C1=CC=CC=C1 CNP0275184.1 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.7 C[C@](N)(C#N)C1=CC=CC=C1 CNP0276998.1 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,1,0,0,0,0|0,0,3]=4 121 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.12 CCN(CC)C1=CC=CC=C1 CNP0287297.0 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.12 CC[NH+](CC)C1=CC=CC=C1 CNP0485521.0 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,0|0,0,1]=2 132 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,0|0,0,2]=3 133 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [0,1,0,0,0,0|0,1,1]=3 144 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [0,1,0,0,0,0|0,1,1]=3 145 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,0,0|0,0,2]=3 155 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,0,0|0,0,1]=2 180 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,0,0|0,0,1]=2 186 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,0,0|1,0,2]=4 201 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 CCC(C)C1=NN=CC=C1C CNP0391366.0 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,0,0,0,0|2,0,1]=4 208 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|1,0,2]=4 209 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,1,0,0|1,0,2]=4 210 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,1,0,0|0,1,2]=4 211 B11R2.1 CN1N=NC2=CC=CC=C12 CNP0059083.0 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,1,0,0|1,0,1]=3 213 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,1,0,0|1,0,1]=3 215 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|1,0,0]=2 216 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,1,0,0|2,0,0]=3 217 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|2,0,1]=4 218 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|1,0,1]=3 220 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|1,0,0]=2 222 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|1,0,0]=2 223 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|1,0,0]=2 224 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,0,0,1,0,0|1,0,2]=4 225 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,0,0,1,0,0|1,0,2]=4 226 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|1,0,1]=3 227 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|1,0,1]=3 228 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,0,0,1,0,0|1,0,1]=3 229 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,0,0,1,0,0|1,0,1]=3 230 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|1,0,1]=3 231 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,0,0,0,1,0|2,0,1]=4 232 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,0,0,0,1,0|2,0,1]=4 233 B9R1.11 CC(CN)C1=CN=CN1 CNP0517286.0 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,0,0,0,1,0|3,0,0]=4 235 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,0,0,0,1,0|2,0,1]=4 236 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,0,0,0,1,0|2,0,0]=3 237 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,0,0,0,0,1|0,0,3]=4 238 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,0,0,0,0,1|2,0,0]=3 239 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,0,1|2,0,1]=4 240 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,0,1|2,0,1]=4 241 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,0,1|2,0,1]=4 242 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,0,1|2,0,1]=4 243 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,0,0,0,0,1|2,0,0]=3 244 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,0,0,0,0,1|1,0,2]=4 245 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,0,0,0,0,1|2,0,0]=3 246 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,0,0,0,0,1|0,0,2]=3 248 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,0,0,0,0,1|2,0,1]=4 249 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,0,0,0,0,1|1,0,2]=4 250 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,0,0,0,0,1|1,0,2]=4 251 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,0,0,0,0,1|1,0,2]=4 252 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,0,0,0,0,1|1,0,2]=4 253 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,0,0,0,0,1|1,0,0]=2 254 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,0,0,0,0,1|1,0,0]=2 255 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,0,1|2,0,1]=4 256 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,0,1|1,0,1]=3 257 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,0,0,0,0,1|1,0,0]=2 258 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,0,0,0,0,1|1,0,0]=2 259 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,0,0,0,0,1|2,0,1]=4 260 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [1,0,1,0,0,0|1,0,1]=4 261 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [1,0,1,0,0,0|0,0,2]=4 262 B8R0.8 C=C/C=C/[C@@H](O)[C@@H](C)O CNP0429194.1 [1,0,1,0,0,0|1,0,1]=4 263 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,0,1,0,0,0|0,0,2]=4 264 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,0,1,0,0,0|0,0,2]=4 265 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|2,0,0]=4 266 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,0,1,0,0,0|0,0,2]=4 267 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|0,0,2]=4 268 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 269 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 270 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 271 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 280 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 283 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,2]=4 288 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,1]=4 289 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 290 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 291 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,1]=4 294 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 295 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 296 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 297 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 298 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 299 B10R0.46 C=C/C(=C\C(=O)[C@@H](C)CC)/C CNP0425329.1 [0,1,1,0,0,0|2,0,0]=4 300 B10R0.55 CC[C@H](C)/C=C/C=C/C(=O)O CNP0204010.1 [0,1,1,0,0,0|2,0,0]=4 301 B10R0.75 C=C/C=C/C=C/[C@H](O)[C@H](C)O CNP0243909.1 [0,1,1,0,0,0|1,0,0]=3 302 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|0,0,2]=4 303 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [1,1,0,0,0,0|0,0,2]=4 311 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [1,1,0,0,0,0|0,0,2]=4 312 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [1,1,0,0,0,0|0,0,2]=4 319 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [1,1,0,0,0,0|0,0,2]=4 320 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [1,1,0,0,0,0|0,0,2]=4 321 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [1,1,0,0,0,0|0,0,2]=4 322 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|0,0,0]=2 325 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.28 CC(C)(C)C1=CC=CCC1 CNP0063000.0 [1,1,0,0,0,0|0,0,2]=4 333 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|0,0,0]=2 334 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|0,0,2]=4 337 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|0,0,2]=4 338 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|0,0,2]=4 339 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|0,0,2]=4 340 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|0,0,0]=2 341 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|0,1,0]=3 342 B10R1.61 CC1=C(C=COC1)C(C)C CNP0183194.0 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.61 CC1=C(OCC=C1)C(C)C CNP0344214.0 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|0,0,2]=4 355 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|0,0,2]=4 356 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|0,0,2]=4 357 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.113 CC1=CC(=CC=N1)N(C)C CNP0436330.0 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [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|1,0,0]=3 369 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|1,0,1]=4 376 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,2]=4 379 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,2]=4 390 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|0,0,0]=2 406 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|0,1,0]=3 436 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|1,1,0]=4 437 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,1,0,0,0,0|0,0,2]=4 444 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,1,0,0,0,0|0,0,1]=3 445 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,1,0,0,0,0|0,0,1]=3 448 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|0,0,1]=3 449 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,1,0,0,0,0|0,0,1]=3 453 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,1,0,0,0,0|0,1,1]=4 454 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,1,0,0,0,0|0,1,1]=4 455 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|0,0,2]=4 469 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|0,0,2]=4 470 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|0,0,1]=3 471 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|0,0,2]=4 473 B12R1.32 C#CCN(C)CC1=CC=CC=C1 CNP0312462.0 [0,1,0,0,0,1|2,0,0]=4 474 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,1,0,0,0,1|0,0,2]=4 475 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,1,0,0,0,1|2,0,0]=4 476 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,1,0,0,0,1|1,0,0]=3 477 B12R1.34 CNC(C)[C@@H](O)C1=CC=CC=C1 CNP0171581.6 [0,1,0,0,0,1|2,0,0]=4 478 B12R1.34 CNC(C)[C@H](O)C1=CC=CC=C1 CNP0171581.7 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.5 [0,1,0,0,0,1|2,0,0]=4 480 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.4 [0,1,0,0,0,1|2,0,0]=4 481 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.2 [0,1,0,0,0,1|2,0,0]=4 482 B12R1.34 CN[C@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.1 [0,1,0,0,0,1|2,0,0]=4 483 B12R1.34 NC[C@@H](N)C(=O)C1=CC=CC=C1 CNP0340732.2 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.34 NC[C@H](N)C(=O)C1=CC=CC=C1 CNP0340732.1 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,0,0,0,1|0,0,2]=4 486 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,1|0,0,1]=3 487 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,0,1|1,0,0]=3 488 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,0,1|0,0,1]=3 489 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,1|0,0,1]=3 490 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,0,1|0,0,1]=3 491 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,0,1|1,0,0]=3 492 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,0,1|1,0,0]=3 493 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,0,1|0,0,1]=3 494 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O CNP0504436.1 [0,1,0,0,0,1|2,0,0]=4 495 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,1|1,0,1]=4 496 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,1,0,0,0,1|1,0,0]=3 497 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,0,1|1,0,1]=4 498 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,1|1,0,1]=4 499 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,1|1,0,1]=4 500 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,1|1,0,1]=4 501 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,1,0,0,0,1|0,0,2]=4 502 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,1,0,0,0,1|1,0,0]=3 503 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,1,0,0,0,1|1,0,0]=3 504 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,1,0,0,0,1|1,0,0]=3 505 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 CNP0070973.0 [0,1,0,0,0,1|1,0,1]=4 507 B12R1.194 CC(C)(CC1=CC=CC=C1)NO CNP0387326.0 [0,1,0,0,0,1|1,0,0]=3 508 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 CNP0208726.0 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,1,0,0,0,1|0,0,2]=4 510 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,1,0,0,0,1|1,0,1]=4 511 B12R1.9 CC1=CC=C(C=C1)C(C)(C)OO CNP0272709.0 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O CNP0085006.0 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.9 CC[C@@](C)(O)C1=CC=C(C=C1)C CNP0114687.2 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.9 CC[C@](C)(O)C1=CC=C(C=C1)C CNP0114687.1 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.9 COC(C)(C)C1=CC=C(C=C1)C CNP0279513.0 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0541877.0 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0548515.0 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)[O-] CNP0515842.0 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)[O-] CNP0546361.0 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.39 CNC[C@](C)(O)C1=CC=CC=C1 CNP0362211.2 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CNP0476981.0 [0,2,0,0,0,0|0,0,1]=3 522 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 CNP0021992.1 [0,2,0,0,0,0|0,0,1]=3 523 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 CNP0272279.1 [0,2,0,0,0,0|0,0,1]=3 524 B12R1.475 C#CC(C)(C#C)C1=CC=CC=C1 CNP0198467.0 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.3 C=CC(CC=O)C1=CC=CC=C1 CNP0002677.0 [0,2,0,0,0,0|0,0,2]=4 526 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 CNP0393554.0 [0,2,0,0,0,0|0,0,2]=4 527 B12R1.3 CCO[C@H](C#N)C1=CC=CC=C1 CNP0140613.1 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.3 CC[C@@H](NC=O)C1=CC=CC=C1 CNP0538754.1 [0,2,0,0,0,0|0,0,2]=4 529 B12R1.3 O=CN[C@@H](CO)C1=CC=CC=C1 CNP0504966.1 [0,2,0,0,0,0|0,0,1]=3 530 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|0,0,0]=2 532 B12R1.13 COC(OC)C1=CC=CC(=C1)C CNP0611238.0 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.243 CCC(CC)C1=CC=CC=C1O CNP0402285.0 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.478 CC(=O)[C@@H](C#N)C1=CC=CC=C1 CNP0076616.1 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 CNP0415741.0 [0,2,0,0,0,0|0,0,2]=4 536 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,2,0,0,0,0|0,0,2]=4 537 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 CNP0569843.0 [0,2,0,0,0,0|0,0,2]=4 538 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 CNP0002389.1 [0,2,0,0,0,0|0,0,1]=3 539 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 CNP0002389.2 [0,2,0,0,0,0|0,0,1]=3 540 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 CNP0318350.2 [0,2,0,0,0,0|0,0,1]=3 541 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CN=C1 CNP0487776.2 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 CNP0318350.1 [0,2,0,0,0,0|0,0,1]=3 543 B12R1.478 CN[C@H](C(=O)O)C1=CC=CN=C1 CNP0487776.1 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,2,0,0,0,0|0,0,1]=3 545 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,2,0,0,0,0|0,0,2]=4 546 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,2,0,0,0,0|0,0,1]=3 547 B12R1.478 NC(=O)[C@@H](CO)C1=CC=CC=C1 CNP0503539.1 [0,2,0,0,0,0|0,0,1]=3 548 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 CNP0185259.1 [0,2,0,0,0,0|0,0,1]=3 549 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 CNP0185259.2 [0,2,0,0,0,0|0,0,1]=3 550 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.17 CNC[C@@H](O)C1=CC=CC(=C1)O CNP0319778.3 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.17 CNC[C@H](O)C1=CC=CC(=C1)O CNP0319778.1 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,2,0,0,0,0|0,0,2]=4 563 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,2,0,0,0,0|1,1,0]=4 567 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,2,0,0,0,0|0,0,1]=3 581 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,2,0,0,0,0|0,0,1]=3 582 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,2,0,0,0,0|0,0,1]=3 583 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,2,0,0,0,0|0,0,1]=3 584 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.4 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.20 C[C@@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.2 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,2,0,0,0,0|0,0,1]=3 589 B12R1.20 C[C@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.1 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.3 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,2,0,0,0,0|1,0,1]=4 594 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,2,0,0,0,0|1,0,1]=4 595 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]=4 596 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]=4 597 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.367 CC[C@@H](C)C1=CC=C(C(=O)O1)C CNP0431455.1 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.367 CC[C@H](C)C1=CC(=C(C=N1)C)C CNP0297045.1 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.367 O=C(CO)C1=CC=C(C(=C1)O)O CNP0281749.0 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,2,0,0,0,0|0,0,2]=4 605 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,2,0,0,0,0|1,0,1]=4 607 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|0,0,0]=2 608 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)N CNP0584804.0 [0,2,0,0,0,0|0,0,1]=3 609 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)O CNP0140626.0 [0,2,0,0,0,0|0,0,1]=3 610 B12R1.225 CC1=CC=CC(=C1)[C@@H](N)C(=O)O CNP0581273.1 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.225 CC1=CC=CC(=C1)[C@H](N)C(=O)O CNP0581273.2 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.225 C[C@@H](C1=CC=CC(=C1)O)N(C)C CNP0551992.1 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(=C1)O CNP0262047.1 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.1 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.2 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)O CNP0183373.1 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.225 O=C(O)[C@@H](O)C1=CC=CC(=C1)O CNP0133718.2 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(=C1)O CNP0133718.1 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.354 CC(=NO)C1=CC(=CC=C1O)C CNP0288898.0 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.354 CC(=NO)C1=CC(=CC=C1O)Cl CNP0051443.0 [0,2,0,0,0,0|1,0,1]=4 621 B12R1.354 CC(=NO)C1=CC(=CC=C1O)O CNP0327949.0 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.354 CC1=CC=C(C(=C1)C(C)CO)O CNP0507522.0 [0,2,0,0,0,0|0,0,0]=2 623 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.354 CN(NO)C1=CC(=O)C=CC1=O CNP0343195.0 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.435 C=CC1=CC=CC(=C1)[C@@H](O)CO CNP0176380.1 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.435 C=CC1=CC=CC(=C1)[C@H](O)CO CNP0176380.2 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.435 CCC1=CC=CC(=C1)[C@H](O)CO CNP0170656.1 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.435 O=CC1=CC=CC(=C1)[C@@H](O)CO CNP0192523.1 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.124 CC1=CC=CC=C1[C@@H](O)C(=O)O CNP0017568.1 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.2 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.1 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.564 CC(C)(O)[C@@H](O)C1=CC=CC=C1 CNP0049467.2 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.564 CC(C)(O)[C@H](O)C1=CC=CC=C1 CNP0049467.1 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.564 N[C@@H](C1=CC=CC=C1)P(=O)(O)O CNP0411999.2 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.564 N[C@H](C1=CC=CC=C1)P(=O)(O)O CNP0411999.1 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.77 CC(C=O)C1=CC=CC=C1N=O CNP0285375.0 [0,2,0,0,0,0|0,0,2]=4 638 B12R1.3441 CC1=CC=CC(=C1[C@@H](O)CO)O CNP0239390.1 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.2 N[C@H]1C(=CC=C[C@@H]1O)C=O CNP0272558.1 [0,0,1,1,0,0|2,0,0]=4 640 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,0]=2 641 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,0]=2 642 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|0,0,0]=2 643 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|0,0,0]=2 644 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 645 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 646 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 647 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 648 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,2]=4 649 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,0]=2 650 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,0]=2 651 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|2,0,0]=4 652 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|2,0,0]=4 653 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|1,0,1]=4 654 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|1,0,0]=3 655 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|2,0,0]=4 656 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,0]=3 657 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,2]=4 658 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,1]=4 659 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|0,0,0]=2 660 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|1,0,0]=3 661 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|1,1,0]=4 662 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|2,0,0]=4 663 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,1]=4 664 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,0,0,1,0,1|0,0,1]=3 665 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,0,0,1,0,1|0,0,1]=3 666 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,0,0,1,0,1|0,0,2]=4 667 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,0,0,1,0,1|0,0,2]=4 668 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,0,0,1,0,1|2,0,0]=4 669 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,0,0,1,0,1|1,0,1]=4 670 B12R2.18 OC1=NC2=CC=CC=C2[C@@H]1O CNP0535565.1 [0,0,0,1,0,1|1,0,1]=4 671 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,0,0,1,0,1|1,0,0]=3 672 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,0,0,1,0,1|1,0,0]=3 673 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,0,1|2,0,0]=4 674 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,1|1,0,1]=4 675 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,1|1,0,1]=4 676 B12R2.32 ON=C1CC2=CC=CC=C2C1 CNP0396553.0 [0,0,0,1,0,1|1,0,1]=4 677 B12R2.2051 C=C[C@@]1(CC2=CC=CC=C12)C CNP0056455.2 [0,0,0,1,0,1|1,0,1]=4 678 B12R2.2051 C=C[C@]1(CC2=CC=CC=C12)C CNP0056455.1 [0,0,0,1,0,1|1,0,1]=4 679 B12R2.116 CC1(CNC1)C2=CC=CC=C2 CNP0381007.0 [0,1,0,1,0,0|1,0,0]=3 680 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.2403 CC1(C=NC2=CC=CC=C12)C CNP0037740.0 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.2403 CC1(CNC2=CC=CC=C12)C CNP0335282.0 [0,1,0,1,0,0|1,0,0]=3 683 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,1,0,1,0,0|0,0,2]=4 684 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,1,0,0|0,0,2]=4 685 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.2 C1=CN=CC(=C1)[C@@H]2CCCN2 CNP0110438.2 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.2 C1=CN=CC(=C1)[C@H]2CCCN2 CNP0110438.1 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|1,0,0]=3 691 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|0,0,1]=3 692 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|0,0,1]=3 693 B12R2.2028 CC1C=C(C2=CC=NC=C12)O CNP0075839.0 [0,1,0,1,0,0|1,0,1]=4 694 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|0,0,1]=3 696 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,1,0,1,0,0|1,0,1]=4 697 B12R2.2028 C[C@@H]1C[C@H](C2=NC=CC=C12)C CNP0115326.1 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|1,0,1]=4 699 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|0,0,1]=3 700 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,1,0,1,0,0|1,0,1]=4 701 B12R2.2028 C[C@H]1C[C@H](C2=CC=NC=C12)O CNP0250441.1 [0,1,0,1,0,0|1,0,0]=3 702 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|1,0,1]=4 703 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.600 CC1C2=CC=C(C=C2C1C)Cl CNP0345606.0 [0,1,0,1,0,0|1,0,0]=3 705 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|0,0,0]=2 706 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|1,0,0]=3 707 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|1,0,1]=4 708 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|1,0,0]=3 709 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,1,0,0|2,0,0]=4 712 B12R2.196 CC1=CN=CC2=C1CC[C@@H]2C CNP0181590.1 [0,1,0,1,0,0|2,0,0]=4 713 B12R2.196 CC1=CN=CC2=C1CC[C@H]2C CNP0181590.2 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,1,0,0|1,0,0]=3 715 B12R2.92 ClC1(C[C@@H]1C2=CC=CC=C2)Cl CNP0057458.1 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.92 ClC1(C[C@H]1C2=CC=CC=C2)Cl CNP0057458.2 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,1,0,1,0,0|0,0,1]=3 718 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,1,0,1,0,0|0,0,1]=3 719 B12R2.203 C[C@H]1CCC2=CC=CC(=C12)O CNP0249433.1 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|0,0,1]=3 721 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,0,0,0,1,0|1,0,0]=3 722 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [1,0,0,0,1,0|1,0,0]=3 723 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,0,0,0,1,0|1,0,0]=3 724 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [1,0,0,0,1,0|1,0,0]=3 725 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,0,0,0,1,0|1,1,0]=4 726 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|2,0,0]=4 727 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|2,0,0]=4 728 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|2,0,0]=4 729 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|1,0,0]=3 730 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [1,0,0,0,1,0|2,0,0]=4 731 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [1,0,0,0,1,0|2,0,0]=4 732 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [1,0,0,0,1,0|2,0,0]=4 733 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|1,0,0]=3 734 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [1,0,0,0,1,0|2,0,0]=4 735 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,0,0,0,0,2|1,0,1]=4 736 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,0,0,0,0,2|0,0,2]=4 737 B12R1.27 CC(COC1=CC=CC=C1)NN CNP0561827.0 [0,0,0,0,0,2|2,0,0]=4 738 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,0,0,0,0,2|1,0,0]=3 739 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,0,0,0,0,2|2,0,0]=4