0 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,0,0,0,0,0|1,1,0]=2 4 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,0,0,0,0,0|0,0,2]=3 22 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,0,0,0,0,0|0,0,0]=1 28 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,0,0,0,0,0|0,0,2]=3 32 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,0,0,0,0,0|0,0,0]=1 37 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,0,0,0,0,0|0,1,0]=2 42 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,0,0,0|0,0,1]=2 70 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,0|0,1,1]=3 71 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,0|1,1,1]=4 77 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|1,0,2]=4 82 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,0|1,1,1]=4 87 B12R1.3 CCO[C@H](C#N)C1=CC=CC=C1 CNP0140613.1 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.3 O=CC(=CNO)C1=CC=CC=C1 CNP0028719.0 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,1,0,0,0,0|0,0,0]=1 91 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,1,0,0,0,0|0,0,0]=1 98 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,1,0,0,0,0|0,0,0]=1 99 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.30 C#CC#CC(=O)C1=CC=CC=C1 CNP0203539.0 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,1,0,0,0,0|0,0,1]=2 104 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,1,0,0,0,0|1,0,2]=4 107 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.30 NCCNC(=O)C1=CC=CC=N1 CNP0456305.0 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.34 COC(O)C(=O)C1=CC=CC=C1 CNP0536152.0 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.34 NC[C@@H](N)C(=O)C1=CC=CC=C1 CNP0340732.2 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.34 NC[C@H](N)C(=O)C1=CC=CC=C1 CNP0340732.1 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 CNP0359925.0 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,0|1,0,2]=4 126 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,1,0,0,0,0|1,0,1]=3 129 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,1,0,0,0,0|0,0,0]=1 130 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,1,0,0,0,0|0,0,0]=1 131 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,1,0,0,0,0|2,0,0]=3 135 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,0,0,1,0,0|1,0,2]=4 136 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.2 C1=CC=C(N=C1)C2=NCCC2 CNP0240806.0 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.2 C1=CN=CC(=C1)C2=NCCC2 CNP0187035.0 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,0,0,1,0,0|2,0,1]=4 140 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,0,0,1,0,0|2,0,1]=4 141 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,0,0,1,0,0|1,0,0]=2 142 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,0,0,1,0,0|2,0,1]=4 146 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,0,0,1,0,0|1,0,2]=4 147 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,0,0,1,0,0|2,0,1]=4 148 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,0,0,1,0,0|1,0,0]=2 149 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,0,0,1,0,0|0,0,2]=3 150 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,0,0,1,0,0|0,0,0]=1 151 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,0,0,1,0,0|1,0,0]=2 152 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,0,0,1,0,0|1,0,1]=3 154 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.2028 CC1C=C(C2=CC=NC=C12)O CNP0075839.0 [0,0,0,1,0,0|2,0,1]=4 157 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,0,0,1,0,0|1,0,0]=2 159 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,0,0,1,0,0|2,0,0]=3 161 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,0,0,1,0,0|1,0,0]=2 162 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.2028 N=C1OC(=O)C2=CC=CN=C12 CNP0140879.0 [0,0,0,1,0,0|2,0,1]=4 164 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,0,0,1,0,0|1,0,1]=3 166 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [0,0,0,1,0,0|2,0,1]=4 167 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,0,0,1,0,0|1,0,0]=2 168 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,0,0,1,0,0|1,0,0]=2 169 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,0,0,1,0,0|1,0,0]=2 170 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,0,0,1,0,0|1,1,1]=4 171 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,0,0,1,0,0|1,0,0]=2 172 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,0,0,0,1,0|2,0,0]=3 173 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,0,0,0,1,0|2,0,0]=3 174 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,0,0,0,1,0|1,0,0]=2 175 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,0,0,0,1,0|1,0,0]=2 176 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,0,0,0,1,0|1,0,0]=2 177 B10R1.11 CCOC(=O)C1=CSN=N1 CNP0040312.0 [0,0,0,0,1,0|3,0,0]=4 178 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,0,0,0,1,0|2,0,0]=3 179 B10R1.11 CCOC(=O)N1C=CN=C1 CNP0182750.0 [0,0,0,0,1,0|2,0,0]=3 180 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,0,0,0,0,1|1,0,2]=4 181 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,0,0,0,0,1|1,0,0]=2 182 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,0,0,0,0,1|1,0,0]=2 183 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,0,0,0,0,1|1,0,2]=4 184 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,0,0,0,0,1|1,0,0]=2 185 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,0,0,0,0,1|0,0,0]=1 186 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,0,0,0,0,1|0,0,0]=1 187 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,0,0,0,0,1|0,1,0]=2 188 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,0,0,0,0,1|1,1,0]=3 189 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,0,0,0,0,1|2,0,0]=3 190 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [1,0,1,0,0,0|0,0,1]=3 191 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,1,0,0,0|1,0,1]=4 192 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [1,0,1,0,0,0|1,0,1]=4 193 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|0,0,0]=2 196 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|0,0,2]=4 204 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,1]=4 205 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|0,0,2]=4 206 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|1,0,1]=4 207 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|0,0,0]=2 216 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|0,1,0]=3 221 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|0,0,1]=3 222 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|0,0,1]=3 223 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|0,0,1]=3 224 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|1,0,1]=4 225 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|1,0,1]=4 226 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|0,0,2]=4 233 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,1]=3 234 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [2,0,0,0,0,0|1,0,1]=4 235 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,1]=3 236 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|1,0,1]=4 238 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|0,0,0]=2 241 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,1]=4 243 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|0,0,1]=3 244 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|0,1,1]=4 245 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|1,1,0]=4 246 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,1]=4 247 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,1]=4 248 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|1,1,0]=4 249 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|1,0,1]=4 250 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|1,0,1]=4 252 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,1,1,0,0,0|0,0,2]=4 253 B11R0.4 CC=CC=CC=CC(=O)OCC CNP0412321.0 [0,1,1,0,0,0|0,0,0]=2 254 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [1,1,0,0,0,0|0,0,1]=3 255 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.12 CCN(CC)C1=CC=CC=C1 CNP0287297.0 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.12 CC[NH+](CC)C1=CC=CC=C1 CNP0485521.0 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [1,1,0,0,0,0|0,0,1]=3 259 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [1,1,0,0,0,0|0,0,2]=4 260 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|0,0,0]=2 266 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|0,0,2]=4 268 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [1,1,0,0,0,0|0,0,0]=2 283 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [1,1,0,0,0,0|0,0,0]=2 285 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [1,1,0,0,0,0|0,0,0]=2 286 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [1,1,0,0,0,0|0,0,1]=3 290 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [1,1,0,0,0,0|1,1,0]=4 295 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [1,1,0,0,0,0|0,0,0]=2 296 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [1,1,0,0,0,0|0,0,2]=4 297 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [1,1,0,0,0,0|0,0,2]=4 298 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [1,1,0,0,0,0|0,0,2]=4 299 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [1,1,0,0,0,0|0,0,2]=4 300 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [1,1,0,0,0,0|0,0,0]=2 301 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [1,1,0,0,0,0|0,0,2]=4 302 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [1,1,0,0,0,0|0,0,2]=4 303 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [1,1,0,0,0,0|0,0,2]=4 304 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [1,1,0,0,0,0|0,0,2]=4 305 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [1,1,0,0,0,0|0,0,2]=4 306 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [1,1,0,0,0,0|0,0,0]=2 311 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [1,1,0,0,0,0|0,0,0]=2 313 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [1,1,0,0,0,0|0,0,0]=2 314 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [1,1,0,0,0,0|0,0,0]=2 315 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,1,0,0,0,0|0,0,1]=3 326 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [1,1,0,0,0,0|0,0,1]=3 331 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [1,1,0,0,0,0|0,0,2]=4 333 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,1,0,0,0,0|0,0,1]=3 340 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,1,0,0,0,0|0,0,2]=4 352 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.15 CCOC(=O)C1=CC(=CN1)C CNP0301824.0 [0,1,0,0,1,0|1,0,0]=3 357 B11R1.15 CCOC(=O)C1=CNC(=O)N1 CNP0282738.0 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.15 CCOC(=O)C1=CSC(=N1)C CNP0046767.0 [0,1,0,0,1,0|2,0,0]=4 359 B11R1.15 CCOC(=O)C1=NC(=O)N=C1 CNP0041998.0 [0,1,0,0,1,0|2,0,0]=4 360 B11R1.15 CCOC(=O)C1=NOC(=C1)C CNP0240524.0 [0,1,0,0,1,0|2,0,0]=4 361 B11R1.29 C=CCOC(=O)C1=CC=CO1 CNP0002876.0 [0,1,0,0,1,0|1,0,1]=4 362 B11R1.29 CCCCC(=O)C1=CC=CO1 CNP0002605.0 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.29 CCCOC(=O)C1=CC=CO1 CNP0083141.0 [0,1,0,0,1,0|1,0,0]=3 364 B11R1.29 COCNC(=O)C1=CC=CN1 CNP0458701.0 [0,1,0,0,1,0|2,0,0]=4 365 B11R1.31 CCC(=O)C(=O)C1=CC=CN1 CNP0132557.0 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.31 CCC(=O)C(=O)C1=CC=CO1 CNP0113129.0 [0,1,0,0,1,0|2,0,0]=4 367 B13R1.19 CC1=CC=C(C=C1)OC(=O)CCN CNP0457555.0 [0,1,0,0,0,1|2,0,0]=4 368 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)C CNP0277585.0 [0,1,0,0,0,1|1,0,0]=3 369 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O CNP0301144.0 [0,1,0,0,0,1|0,0,0]=2 370 B13R1.19 CCOC(=O)CN1C=CC(=N)C=C1 CNP0474320.0 [0,1,0,0,0,1|1,0,0]=3 371 B13R1.19 CCOC(=O)CN1C=CC(=[N])C=C1 CNP0605739.0 [0,1,0,0,0,1|1,0,0]=3 372 B13R1.19 CCOC(=S)NC1=CC=C(C=C1)O CNP0104345.0 [0,1,0,0,0,1|0,1,0]=3 373 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)O CNP0514800.0 [0,1,0,0,0,1|0,0,0]=2 374 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 CNP0293196.0 [0,1,0,0,0,1|0,0,1]=3 375 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [0,1,0,0,0,1|0,0,0]=2 376 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 CNP0318781.0 [0,1,0,0,0,1|0,0,0]=2 377 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 CNP0596138.0 [0,1,0,0,0,1|0,0,0]=2 378 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 CNP0145799.1 [0,1,0,0,0,1|0,0,0]=2 379 B13R1.79 CSCC(=CC1=CC=CC=C1)C=O CNP0352550.0 [0,1,0,0,0,1|2,0,0]=4 380 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,1|2,0,0]=4 381 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CNP0319392.0 [0,1,0,0,0,1|1,0,0]=3 382 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,1,0,0,0,1|0,0,0]=2 383 B13R1.470 CCOC(=O)CC1=CC=CC=C1O CNP0175356.0 [0,1,0,0,0,1|0,0,0]=2 384 B13R1.470 CCOC(=O)C[N+]1=CC=CC=C1Br CNP0579716.0 [0,1,0,0,0,1|1,0,0]=3 385 B13R1.1 CCOC(CO)C1=CC=C(C=C1)O CNP0609600.0 [0,2,0,0,0,0|0,0,2]=4 386 B13R1.26 CCCCC(=NO)C1=CC=CC=C1 CNP0122227.0 [0,2,0,0,0,0|1,0,1]=4 387 B13R1.26 COCOC(C=O)C1=CC=CC=C1 CNP0149378.0 [0,2,0,0,0,0|0,0,1]=3 388 B13R1.405 CCO[C@H](C(=O)O)C1=CC=CC=C1 CNP0224902.1 [0,2,0,0,0,0|0,0,1]=3 389 B13R1.713 CC(C)C=C(C=O)C1=CC=CC=C1 CNP0154099.0 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O CNP0598021.0 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)N CNP0112115.0 [0,2,0,0,0,0|0,0,0]=2 392 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O CNP0333884.0 [0,2,0,0,0,0|0,0,0]=2 393 B13R1.17 CNCO[C@@H](O)C1=CC=C(C=C1)O CNP0003653.1 [0,2,0,0,0,0|0,0,2]=4 394 B13R1.17 CON=CC(=O)C1=CC=C(C=C1)O CNP0483730.0 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl CNP0594342.0 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl CNP0558484.0 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O CNP0177000.0 [0,2,0,0,0,0|1,0,0]=3 398 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CNP0105691.0 [0,2,0,0,0,0|0,0,0]=2 399 B13R1.17 O=COCC(=O)C1=CC=C(C=C1)Br CNP0284016.0 [0,2,0,0,0,0|1,0,1]=4 400 B13R1.21 CNC(C)C(=O)C1=CC=C(C=C1)C CNP0475628.0 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.21 COC(=O)C(=O)C1=CC=C(C=C1)O CNP0422883.0 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.21 O=C(C1=CC=C(C=C1)O)[C@H](O)CO CNP0229154.1 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)C CNP0057972.0 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O CNP0491246.0 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.452 CCOC(=O)C1=CC=C(C=C1)NC CNP0322194.0 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC CNP0334589.0 [0,2,0,0,0,0|0,0,0]=2 407 B13R1.452 CCOC(=O)C1=CC=C(C=N1)OC CNP0243346.0 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.452 CCOC(=O)C1=CC=C(N=C1)OC CNP0232360.0 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.466 CCOC(=O)C1=CC(=O)C(=CO1)O CNP0491861.0 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)O)O CNP0317918.0 [0,2,0,0,0,0|0,0,0]=2 411 B13R1.466 CNCC(=O)C1=CC=C(C(=C1)O)O CNP0272151.0 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.466 O=C(CCO)C1=CC=C(C(=C1)O)O CNP0134924.0 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.1511 CCOC(=O)C1=CC=C(C=C1O)O CNP0403954.0 [0,2,0,0,0,0|0,0,0]=2 414 B13R1.1511 CCOC(=O)C1=CN=C(N=C1O)N CNP0546426.0 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.1511 NCCC(=O)C1=CC=C(C=C1N)Br CNP0432173.0 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.12 NCCC(=O)C1=CC=CC(=C1N)O CNP0062807.0 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.18 CCCOC(=O)C1=CC=CC(=C1)N CNP0064197.0 [0,2,0,0,0,0|0,0,0]=2 418 B13R1.446 CC=CC(=O)C1=CC(=CC=C1C)C CNP0598613.0 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.446 CC=CC(=O)C1=CC(=CC=C1O)O CNP0132941.0 [0,2,0,0,0,0|1,0,1]=4 420 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br CNP0606333.0 [0,2,0,0,0,0|0,0,0]=2 421 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)O CNP0176589.0 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.446 NCCC(=O)C1=CC(=CC=C1N)O CNP0370698.0 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.450 CCOC(=O)C1=CC(=CC(=C1)O)O CNP0106590.0 [0,2,0,0,0,0|0,0,0]=2 424 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC CNP0127250.0 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,2,0,0,0,0|1,0,1]=4 426 B13R1.11 CCC(C)OC(=O)C1=CC=CC=C1 CNP0609113.0 [0,2,0,0,0,0|0,0,0]=2 427 B13R1.11 CCC(O)CC(=O)C1=CC=CC=C1 CNP0116208.0 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.11 C[C@H](CO)OC(=O)C1=CC=CC=C1 CNP0076498.1 [0,2,0,0,0,0|0,0,0]=2 429 B13R1.24 CC#CC#CC(=O)C1=CC=CC=C1 CNP0162935.0 [0,2,0,0,0,0|1,0,1]=4 430 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.24 CC=CC=CC(=O)C1=CC=CC=C1 CNP0212500.0 [0,2,0,0,0,0|1,0,1]=4 432 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [0,2,0,0,0,0|1,0,1]=4 437 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [0,2,0,0,0,0|1,0,1]=4 440 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,2,0,0,0,0|1,0,1]=4 441 B13R1.45 CC(=O)OC=C(C)C1=CC=CC=C1 CNP0052211.0 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CNP0127742.0 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 CNP0334296.0 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 CNP0043608.0 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CNP0463813.0 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,2,0,0,0,0|1,0,1]=4 447 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CNP0201196.0 [0,2,0,0,0,0|1,0,1]=4 448 B13R1.674 C=CCOC(=O)C1=CC=CC=C1N CNP0100004.0 [0,2,0,0,0,0|0,0,1]=3 449 B13R1.674 CCCCC(=O)C1=CC=CC=C1O CNP0481328.0 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.674 CCCOC(=O)C1=CC=CC=C1O CNP0611678.0 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.674 O=C(OCCO)C1=CC=CC=C1O CNP0172292.0 [0,2,0,0,0,0|0,0,0]=2 452 B13R1.86 CCC(NC)C(=O)C1=CC=CC=C1 CNP0442443.0 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.86 CCN(CC)C(=O)C1=CC=CN=C1 CNP0341849.0 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.86 COC(CO)C(=O)C1=CC=CC=C1 CNP0582214.0 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.86 COP(OC)C(=O)C1=CC=CC=C1 CNP0040989.0 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.86 CO[PH](OC)C(=O)C1=CC=CC=C1 CNP0503971.0 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.152 CC(C)N(C)C(=O)C1=CC=CC=C1 CNP0411881.0 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.696 COC(=O)C(=O)C1=CC=CC=C1O CNP0103137.0 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1C CNP0457888.0 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 CNP0111003.0 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.352 CC(C)(C)OC(=O)C1=CC=CC=C1 CNP0038467.0 [0,2,0,0,0,0|0,0,0]=2 462 B13R1.352 O=C(OP(=O)(O)O)C1=CC=CC=C1 CNP0083793.0 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.464 CCCC(=O)C1=CC=CC=C1OC CNP0514775.0 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.464 CCOC(=O)C1=CC=CC=C1NC CNP0194191.0 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.464 CCOC(=O)C1=CC=CC=C1OC CNP0254680.0 [0,2,0,0,0,0|0,0,0]=2 466 B13R1.4453 CC=CC(=O)C1=C(C=CC=C1C)C CNP0250668.0 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.4453 CCCC(=O)C1=C(C=CC=C1O)O CNP0152707.0 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.4453 CCOC(=O)C1=C(C=CC=C1O)C CNP0116215.0 [0,2,0,0,0,0|0,0,0]=2 469 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,0,1,1,0,0|2,0,0]=4 470 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,1]=4 471 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,1]=4 472 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [1,0,0,1,0,0|2,0,0]=4 473 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [1,0,0,1,0,0|2,0,0]=4 474 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|1,0,1]=4 475 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,0,0]=2 476 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|1,0,0]=3 477 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,0]=3 478 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|1,0,1]=4 479 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|1,0,0]=3 480 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|2,0,0]=4 481 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|0,0,0]=2 482 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|1,0,1]=4 483 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [1,0,0,1,0,0|1,0,1]=4 484 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [1,0,0,1,0,0|1,0,0]=3 485 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [1,0,0,1,0,0|1,0,0]=3 486 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|1,0,0]=3 487 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,1,0,0|2,0,0]=4 488 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [1,0,0,1,0,0|2,0,0]=4 489 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [1,0,0,1,0,0|1,0,1]=4 490 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [1,0,0,1,0,0|1,0,1]=4 491 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [1,0,0,1,0,0|2,0,0]=4 492 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [1,0,0,1,0,0|1,0,1]=4 493 B13R2.15 O=C1CCC=C1C2=CC=CC=C2 CNP0587845.0 [0,0,0,1,0,1|1,0,1]=4 494 B13R2.26 CCSC1=NC2=CC=CC=C2S1 CNP0018019.0 [0,0,0,1,0,1|0,2,0]=4 495 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 CNP0133359.0 [0,0,0,1,0,1|2,0,0]=4 496 B13R2.64 C1=CC=C(C=C1)CC2=[NH+]CCN2 CNP0605683.0 [0,0,0,1,0,1|2,0,0]=4 497 B13R2.135 CC=C1C(=O)NC2=CC=CC=C12 CNP0115557.0 [0,0,0,1,0,1|1,0,1]=4 498 B13R2.135 CCN1C(=CC2=CC=CC=C12)O CNP0265807.0 [0,0,0,1,0,1|1,0,1]=4 499 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,0,0,1,0,1|1,0,1]=4 500 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,0,0,1,0,1|1,0,1]=4 501 B13R2.328 C[C@@H]1NC(=O)CC2=CC=NC=C12 CNP0192183.1 [0,0,0,1,0,1|2,0,0]=4 502 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,0,0,1,0,1|1,0,1]=4 503 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,0,0,1,0,1|1,0,1]=4 504 B13R2.3 C1=C(CCCC1)C2=CC=CC=C2 CNP0077019.0 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.10 CC1COC(O1)C2=CC=CC=C2 CNP0291344.0 [0,1,0,1,0,0|0,0,2]=4 506 B13R2.10 C[C@@H]1C=C(N=N1)C2=CC=CC=C2 CNP0053037.1 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.10 C[C@H]1C=C(N=N1)C2=CC=CC=C2 CNP0053037.2 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.1613 O=CN1CCCC2=CC=CC=C12 CNP0610512.0 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.2931 CN1C=C(C2=CC=CC=C12)C=O CNP0174507.0 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.2931 COC1=C[C@@H](C2=CC=CC=C12)C CNP0046972.1 [0,1,0,1,0,0|1,0,1]=4 511 B13R2.2931 COC1=C[C@H](C2=CC=CC=C12)C CNP0046972.2 [0,1,0,1,0,0|1,0,1]=4 512 B13R2.2931 COC1CC(=O)C2=CN=CC=C12 CNP0121639.0 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.2931 CO[C@@H]1C=C(C2=CC=CC=C12)C CNP0039873.1 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.2931 CO[C@@H]1OC(=O)C2=CC=CC=C12 CNP0262154.1 [0,1,0,1,0,0|0,0,0]=2 515 B13R2.2931 CO[C@H]1C=C(C2=CC=CC=C12)C CNP0039873.2 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.2931 CO[C@H]1OC(=O)C2=CC=CC=C12 CNP0262154.2 [0,1,0,1,0,0|0,0,0]=2 517 B13R2.2931 O=C1C[C@@H](C2=CN=CC=C12)CO CNP0075844.2 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.2931 O=C1C[C@H](C2=CN=CC=C12)CO CNP0075844.1 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.5179 CC1=CC2=C(C=N1)C(=O)OCC2 CNP0251579.0 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.5179 O=C1CCOC2=CC(=CC=C12)Br CNP0247122.0 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O CNP0038707.0 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.5187 CC1CC(=O)C2=CC=C(C=C12)O CNP0611868.0 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.5187 CC1CC(=O)C2=NC=C(C=C12)O CNP0315960.0 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.5187 C[C@@H]1CC(=O)C2=NC=C(C=C12)O CNP0315960.1 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.162 CC1=CC=C2OCCC(=O)C2=C1 CNP0104905.0 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.162 CC1=CC=C2SCCC(=O)C2=C1 CNP0580059.0 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.162 O=C1CCOC2=CC=C(C=C12)Cl CNP0034152.0 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.162 O=C1CCSC2=CC=C(C=C12)Cl CNP0116948.0 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.162 OC1=CC=C2CCOC(C2=C1)O CNP0547771.0 [0,1,0,1,0,0|0,0,2]=4 530 B13R2.342 CC1=CC=CC2=C1CCNC2=O CNP0565003.0 [0,1,0,1,0,0|1,0,0]=3 531 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O CNP0034587.0 [0,1,0,1,0,0|1,0,1]=4 532 B13R2.4857 CC1=CC=CC2=C1C(=O)O[C@@H]2O CNP0048978.2 [0,1,0,1,0,0|1,0,0]=3 533 B13R2.4857 CC1=CC=CC2=C1C(=O)O[C@H]2O CNP0048978.1 [0,1,0,1,0,0|1,0,0]=3 534 B13R2.4857 O=C1C[C@@H](C2=CC=CC(=C12)O)O CNP0523744.1 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.371 CN1C=CC(=O)C2=CC=CC=C12 CNP0296538.0 [0,1,0,1,0,0|1,0,1]=4 536 B13R2.371 CN1C=NC(=O)C2=CC=CC=C12 CNP0162462.0 [0,1,0,1,0,0|1,0,1]=4 537 B13R2.371 CN1CCC(=N)C2=CC=CC=C12 CNP0559627.0 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.371 O=C1CCC(=O)C2=CC=CC=C12 CNP0436754.0 [0,1,0,1,0,0|1,0,1]=4 539 B13R2.371 O=C1CC[C@@H](C2=CC=CC=C12)O CNP0162052.1 [0,1,0,1,0,0|1,0,0]=3 540 B13R2.371 O=C1CC[C@H](C2=CC=CC=C12)O CNP0162052.2 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.45 O=C1C(=CC2=CC=CC=C12)CO CNP0194849.0 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.3085 CC1=C(C(C2=CC=CC=C12)C)C CNP0214533.0 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@@H]1O CNP0068358.2 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@H]1O CNP0068358.1 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CNP0322287.0 [0,1,0,1,0,0|1,0,0]=3 547 B13R2.12159 CC1(OC(=O)C2=CC=CC=C12)C CNP0053854.0 [0,1,0,1,0,0|0,0,0]=2 548 B13R2.12159 CC1(OC(=O)C2=CC=CC[C@@H]12)C CNP0183480.1 [0,1,0,1,0,0|0,0,2]=4 549 B13R2.12159 CC1=C[C@@](C2=CC=CC=C12)(C)O CNP0137434.1 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.12159 CC1=C[C@](C2=CC=CC=C12)(C)O CNP0137434.2 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 CNP0085656.0 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.4818 O=C1OCC[C@@H]2C1=C(C=CC2)O CNP0158221.1 [0,1,0,1,0,0|0,0,2]=4 553 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [1,0,0,0,1,0|1,0,0]=3 554 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [1,0,0,0,1,0|1,0,0]=3 555 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [1,0,0,0,1,0|1,0,0]=3 556 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [1,0,0,0,1,0|2,0,0]=4 557 B9R1.11 CCC(=O)N1C=CN=C1 CNP0053427.0 [1,0,0,0,1,0|2,0,0]=4 558 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [1,0,0,0,1,0|1,0,0]=3 559 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [1,0,0,0,1,0|1,0,0]=3 560 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [1,0,0,0,1,0|1,0,0]=3 561 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [1,0,0,0,1,0|2,0,0]=4 562 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [1,0,0,0,1,0|2,0,0]=4 563 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [1,0,0,0,1,0|1,1,0]=4 564 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [1,0,0,0,1,0|2,0,0]=4 565 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,1,0|1,0,1]=4 566 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [1,0,0,0,0,1|0,0,0]=2 567 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,0,0,0,0,2|0,0,2]=4 568 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,0,0,0,0,2|1,0,1]=4 569 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,0,0,0,0,2|1,0,1]=4 570 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,0,0,0,0,2|1,0,1]=4 571 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,0,0,0,0,2|1,0,0]=3 572 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,0,0,0,0,2|1,0,0]=3 573 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,0,0,0,0,2|1,0,0]=3 574 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,0,0,0,0,2|0,1,0]=3 575 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,0,0,0,0,2|0,0,0]=2 576 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,0,0,0,0,2|0,0,0]=2 577 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,0,0,0,0,2|0,1,0]=3 578 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,0,0,0,0,2|2,0,0]=4 579 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,0,0,0,0,2|2,0,0]=4