0 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,0,0,0,0,0|0,0,2]=2 4 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|0,0,2]=3 32 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|0,0,0]=1 36 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [0,1,0,0,0,0|0,0,2]=3 62 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [0,1,0,0,0,0|0,0,2]=3 63 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,1,0,0,0,0|0,0,0]=1 65 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,1,0,0,0,0|0,0,2]=3 75 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,1,0,0,0,0|0,0,2]=3 76 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.10 C=CCC1=CN=CC(=N1)C CNP0002576.0 [0,1,0,0,0,0|0,0,2]=3 87 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [0,1,0,0,0,0|0,0,2]=3 88 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.10 CCSC1=NC(=O)C=CN1 CNP0293731.0 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,0|1,0,1]=3 99 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,0|0,0,0]=1 101 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,1,0,0,0,0|1,0,1]=3 109 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,1,0,0,0,0|0,0,0]=1 151 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,0,1,0,0,0|3,0,0]=4 161 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,0,1,0,0,0|2,0,1]=4 162 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,0,1,0,0,0|3,0,0]=4 165 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,0|3,0,0]=4 166 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,0|3,0,0]=4 167 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,0,0,1,0,0|1,0,0]=2 168 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,0,0,1,0,0|1,0,2]=4 169 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,0,0,1,0,0|0,0,2]=3 170 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,0,0,1,0,0|2,0,0]=3 171 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,0,0,1,0,0|3,0,0]=4 172 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,0,0,1,0,0|3,0,0]=4 173 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,0,0,1,0,0|3,0,0]=4 174 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [0,0,0,1,0,0|2,0,0]=3 175 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,0|1,0,0]=2 176 B10R2.7 C1=CN=C2NC=NC2=N1 CNP0404111.0 [0,0,0,1,0,0|2,0,1]=4 177 B10R2.7 C1=CN=C2NN=CC2=N1 CNP0367897.0 [0,0,0,1,0,0|2,0,1]=4 178 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|2,0,0]=3 179 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|2,0,0]=3 180 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|3,0,0]=4 181 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|3,0,0]=4 182 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|3,0,0]=4 183 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|3,0,0]=4 184 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|3,0,0]=4 185 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,0,0,0,1,0|1,0,2]=4 187 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,0,0,1,0|1,0,2]=4 188 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,0,1,0|1,0,0]=2 189 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,0,1,0|1,0,0]=2 190 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,0,1,0|2,0,0]=3 191 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,0,0,0,1,0|2,0,0]=3 192 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,0,0,0,1,0|2,0,0]=3 193 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,0,0,1,0|2,0,0]=3 194 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,0,0,1,0|2,0,0]=3 195 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,0,0,0,1,0|3,0,0]=4 196 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,0,0,0,1,0|2,0,1]=4 197 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,0,0,0,1,0|2,0,0]=3 198 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,0,0,0,1,0|1,0,1]=3 199 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,0,0,0,1,0|1,0,1]=3 200 B8R1.8 NCCN1C=CN=C1 CNP0591028.0 [0,0,0,0,1,0|2,0,0]=3 201 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,0,0,0,1,0|2,0,1]=4 202 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,0,0,0,1,0|1,0,2]=4 203 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,0,0,0,1,0|1,0,2]=4 204 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,0,1,0|2,0,0]=3 205 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,0,0,0,1,0|1,0,1]=3 206 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,0,0,0,1,0|2,0,0]=3 207 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,0,0,0,1,0|1,0,1]=3 208 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,0,0,0,1,0|3,0,0]=4 209 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [0,0,0,0,1,0|2,0,0]=3 210 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|1,0,0]=3 213 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|1,0,0]=3 215 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.12 C=NC(=COC)CC CNP0213287.0 [1,0,1,0,0,0|1,0,1]=4 221 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|2,0,0]=4 222 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 223 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 224 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 225 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|2,0,0]=4 226 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|0,0,0]=2 227 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 228 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 229 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [2,0,0,0,0,0|1,0,1]=4 230 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|2,0,0]=4 231 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|2,0,0]=4 232 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|2,0,0]=4 233 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,1,1,0,0,0|1,0,1]=4 234 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,1,1,0,0,0|2,0,0]=4 235 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,1,1,0,0,0|2,0,0]=4 236 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,1,1,0,0,0|2,0,0]=4 237 B9R0.12 CCCC(=NO)C(=NO)C CNP0177767.0 [0,1,1,0,0,0|2,0,0]=4 238 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [1,1,0,0,0,0|0,0,2]=4 239 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|0,0,0]=2 247 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [1,1,0,0,0,0|0,0,2]=4 251 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|1,0,1]=4 256 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|1,0,0]=3 257 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|0,0,0]=2 258 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|1,0,0]=3 259 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,1,0,0,0,0|1,0,0]=3 260 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,1,0,0,0,0|0,0,1]=3 261 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,1,0,0,0,0|0,0,1]=3 264 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,1,0,0,0,0|1,0,0]=3 266 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,1,0,0,0,0|0,0,0]=2 268 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,1,0,0,0,0|0,0,0]=2 269 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,1,0,0,0,0|1,0,1]=4 274 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [1,1,0,0,0,0|0,0,2]=4 276 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,1,0,0,0,0|0,0,0]=2 285 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,1,0,0,0,0|1,0,0]=3 289 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,0,1,0|1,0,1]=4 291 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,0,1,0|1,0,0]=3 292 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,0,1,0|1,0,0]=3 293 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,0,1,0|1,0,0]=3 294 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,0,1,0|1,0,0]=3 295 B9R1.7 CN1C=NC(=C1)CCN CNP0415799.0 [0,1,0,0,1,0|1,0,1]=4 296 B9R1.7 NCCC1=CN=C(N1)F CNP0610560.0 [0,1,0,0,1,0|1,0,1]=4 297 B9R1.11 CC(CN)C1=CN=CN1 CNP0517286.0 [0,1,0,0,1,0|1,0,1]=4 298 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,1,0|0,0,2]=4 299 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,1,0|1,0,1]=4 300 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,1,0|1,0,1]=4 301 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,1,0,0,1,0|1,0,1]=4 302 B9R1.11 CCC(=O)N1C=CN=C1 CNP0053427.0 [0,1,0,0,1,0|1,0,1]=4 303 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,1,0,0,1,0|1,0,0]=3 304 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,1,0,0,1,0|1,0,0]=3 306 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,1,0,0,1,0|1,0,0]=3 307 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,1,0,0,1,0|1,0,0]=3 309 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,1,0,0,1,0|2,0,0]=4 310 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,1,0,0,1,0|1,0,0]=3 311 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,1,0,0,1,0|1,0,0]=3 312 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [0,1,0,0,1,0|0,0,1]=3 313 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,1,0,0,1,0|2,0,0]=4 314 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,1,0,0,1,0|1,0,1]=4 315 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,1,0,0,1,0|1,0,0]=3 316 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,1,0,0,1,0|1,0,0]=3 317 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,1,0,0,1,0|2,0,0]=4 318 B9R1.33 CC1=C(SC=N1)CCCl CNP0572414.0 [0,1,0,0,1,0|2,0,0]=4 319 B9R1.33 CC1=C(SC=N1)CCO CNP0408975.0 [0,1,0,0,1,0|2,0,0]=4 320 B9R1.33 CN1C=NC=C1CCN CNP0407447.0 [0,1,0,0,1,0|1,0,1]=4 321 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,2,0,0,0,0|1,0,0]=3 324 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,2,0,0,0,0|2,0,0]=4 325 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,2,0,0,0,0|2,0,0]=4 328 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.81 C=CCC1=NC=C(N=C1C)C CNP0134147.0 [0,2,0,0,0,0|0,0,2]=4 340 B11R1.81 CC=CC1=NC=C(N=C1C)C CNP0185639.0 [0,2,0,0,0,0|0,0,2]=4 341 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [0,2,0,0,0,0|0,0,0]=2 344 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.192 C=CCC1=CN=C(C(=N1)C)C CNP0077645.0 [0,2,0,0,0,0|0,0,2]=4 346 B11R1.192 CC=CC1=CN=C(C(=N1)C)C CNP0002578.0 [0,2,0,0,0,0|0,0,2]=4 347 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.192 CCCC1=CN=C(C(=N1)C)C CNP0023321.0 [0,2,0,0,0,0|0,0,0]=2 349 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [0,2,0,0,0,0|0,0,0]=2 354 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,2,0,0,0,0|0,0,0]=2 359 B11R1.182 C=CCC1=NC(=CN=C1C)C CNP0014529.0 [0,2,0,0,0,0|0,0,2]=4 360 B11R1.182 CC=CC1=NC(=CN=C1C)C CNP0002579.0 [0,2,0,0,0,0|0,0,2]=4 361 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [0,2,0,0,0,0|0,0,0]=2 364 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.222 CCC(C)C1=NN=CC=C1C CNP0391366.0 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.605 CCCC1=C(C=CC=C1C)C CNP0181300.0 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.24 OCCSC1=CN=CC(=N1)Cl CNP0423336.0 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.34 CCCC1=CC(=CC(=C1)O)O CNP0332019.0 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.34 CCCC1=CC(=NC(=N1)S)O CNP0532678.0 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.34 CCCC1=NC(=CC(=O)N1)C CNP0512816.0 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,2,0,0,0,0|1,0,0]=3 375 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,2,0,0,0,0|0,0,0]=2 382 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,2,0,0,0,0|1,0,0]=3 404 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [0,2,0,0,0,0|0,0,0]=2 406 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,2,0,0,0,0|1,0,1]=4 415 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,2,0,0,0,0|0,0,0]=2 427 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,2,0,0,0,0|1,0,1]=4 430 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,1,1,0,0|2,0,0]=4 434 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|2,0,0]=4 435 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [1,0,0,1,0,0|2,0,0]=4 436 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,1,1,0|1,0,0]=3 437 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,1,0,1,0,0|2,0,0]=4 438 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,1,0,1,0,0|2,0,0]=4 439 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,1,0,1,0,0|1,0,0]=3 440 B11R2.36 CC1=CN=C2CCCC2=N1 CNP0296530.0 [0,1,0,1,0,0|0,0,0]=2 441 B11R2.36 O=C1C=C2CCCC2=NN1 CNP0571558.0 [0,1,0,1,0,0|2,0,0]=4 442 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|2,0,0]=4 443 B11R2.10 CC1=NC2=NC=CN=C2O1 CNP0001199.0 [0,1,0,1,0,0|1,0,1]=4 444 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,1,0,1,0,0|2,0,0]=4 445 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,1,0,1,0,0|2,0,0]=4 446 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,1,0,1,0,0|2,0,0]=4 447 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,1,0,1,0,0|2,0,0]=4 448 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,1,0,1,0,0|2,0,0]=4 449 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [0,1,0,1,0,0|2,0,0]=4 450 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,1,0,1,0,0|1,0,0]=3 451 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,1,0,1,0,0|0,0,0]=2 452 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,1,0,1,0,0|2,0,0]=4 453 B11R2.106 NC1=NC=NC2=C1CCC2 CNP0358774.0 [0,1,0,1,0,0|2,0,0]=4 454 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,1,0,1,0,0|2,0,0]=4 455 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,1,0,1,0,0|1,0,1]=4 456 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [0,1,0,1,0,0|1,0,1]=4 457 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,1,0,1,0,0|0,0,1]=3 458 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,1,0,1,0,0|0,0,0]=2 459 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,1,0,1,0,0|2,0,0]=4 460 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,1,0,1,0,0|1,0,0]=3 461 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,1,0,1,0,0|2,0,0]=4 462 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,1,0,1,0,0|2,0,0]=4 463 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,1,0,1,0,0|2,0,0]=4 464 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,1,0,1,0,0|2,0,0]=4 465 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,1,0,1,0,0|2,0,0]=4 466 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,0]=3 468 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,0]=3 469 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,0]=3 470 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,0]=3 471 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|1,0,0]=3 472 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|2,0,0]=4 473 B7R1.1 CCN1C=NN=C1 CNP0611862.0 [1,0,0,0,1,0|2,0,0]=4 474 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|1,0,1]=4 475 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|2,0,0]=4 476 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,1,0|1,0,1]=4 477 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|2,0,0]=4 478 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,1,0|2,0,0]=4 479 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,1,0|2,0,0]=4 480 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,1,0|2,0,0]=4 481 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,1,0|2,0,0]=4 482 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,1,0|2,0,0]=4 483 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,1,0|2,0,0]=4