0 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,0,0,0,0|0,1,0]=1 13 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,0,0,0,0,0|1,1,0]=2 20 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,0,0,0,0|1,1,1]=3 23 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,0,0,0,0|1,1,0]=2 38 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|0,0,2]=3 43 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|0,0,2]=3 44 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|0,1,2]=4 45 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|0,0,2]=3 46 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|0,0,0]=1 48 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|0,0,0]=1 54 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|0,0,0]=1 57 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|0,1,0]=2 58 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|1,1,0]=3 59 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|2,1,0]=4 60 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|1,1,1]=4 62 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|1,1,1]=4 69 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|1,1,0]=3 72 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,0,0,0,0|0,0,3]=4 97 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|0,0,1]=2 102 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.17 CC1=CC=CC=C1CSC#N CNP0032875.0 [0,1,0,0,0,0|1,1,1]=4 117 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.28 C#CC#CCC1=CC=CC=C1 CNP0119313.0 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,1,0,0,0,0|0,0,1]=2 130 B11R1.28 CC#CC#CC1=CC=CC=C1 CNP0169414.0 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [0,1,0,0,0,0|1,0,2]=4 134 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,1,0,0,0,0|0,0,1]=2 185 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.91 CN(C)N=NC1=CC=CC=C1 CNP0594797.0 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,1,0,0,0,0|3,0,0]=4 203 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,0,1,0,0,0|3,0,0]=4 204 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,1,0,0,0|1,0,0]=2 205 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,0,1,0,0,0|1,0,2]=4 206 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,0,1,0,0,0|1,0,2]=4 207 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,0,1,0,0,0|2,0,0]=3 208 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,0,1,0,0,0|2,0,1]=4 209 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|1,0,1]=3 210 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,1,0,0|2,0,1]=4 211 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,1,0,0|2,0,1]=4 212 B11R2.1 CN1N=NC2=CC=CC=C12 CNP0059083.0 [0,0,0,1,0,0|3,0,0]=4 213 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,1,0,0|1,0,1]=3 214 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,1,0,0|1,0,1]=3 216 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|1,0,0]=2 217 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,1,0,0|2,0,0]=3 218 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|1,0,1]=3 223 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|2,0,1]=4 224 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 CNP0580916.0 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|2,0,0]=3 226 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,0,1,0,0|1,0,1]=3 229 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,0,1,0,0|1,0,2]=4 230 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,0,0,1,0,0|1,0,0]=2 232 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,0,0,1,0,0|1,0,0]=2 233 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,0,0,1,0,0|2,0,0]=3 234 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,0,1,0,0|1,0,0]=2 235 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [0,0,0,1,0,0|1,0,2]=4 236 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,0,0,1,0,0|2,0,0]=3 237 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|1,0,2]=4 239 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|1,0,2]=4 240 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,0,0,1,0,0|2,0,1]=4 241 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,0,0,1,0,0|2,0,1]=4 242 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|3,0,0]=4 243 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,0,0,1,0|2,0,0]=3 244 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,0,0,0,1,0|1,0,0]=2 249 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,0,0,0,1,0|1,1,0]=3 250 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,0,0,0,1,0|2,1,0]=4 251 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,0,0,0,1,0|2,0,1]=4 252 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [0,0,0,0,0,1|1,0,2]=4 253 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [0,0,0,0,0,1|1,0,2]=4 254 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,1,0,0,0|0,0,2]=4 255 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|1,0,0]=3 256 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,1,0,0,0|1,0,1]=4 257 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 258 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 259 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 260 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 265 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|0,0,0]=2 266 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|0,0,1]=3 269 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|0,1,0]=3 271 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 273 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,2]=4 278 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,1]=4 279 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 280 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 281 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,1]=4 284 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 285 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 286 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 287 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 288 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 289 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|1,0,1]=4 290 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,1,0,0,0|2,0,0]=4 291 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,1,1,0,0,0|1,0,1]=4 292 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,1,1,0,0,0|1,0,0]=3 293 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,1,1,0,0,0|1,0,0]=3 294 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [0,1,1,0,0,0|1,0,1]=4 295 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [0,1,1,0,0,0|2,0,0]=4 296 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [0,1,1,0,0,0|1,0,1]=4 297 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,1,1,0,0,0|1,0,1]=4 298 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,2]=4 299 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|0,0,2]=4 300 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|0,0,2]=4 302 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|0,0,2]=4 303 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|0,0,2]=4 317 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|0,0,2]=4 318 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|0,0,2]=4 319 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|0,0,0]=2 325 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|0,0,0]=2 333 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|0,0,0]=2 334 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|0,0,0]=2 337 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|0,0,2]=4 342 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|0,0,2]=4 343 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|0,0,2]=4 346 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|0,0,1]=3 347 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|0,0,0]=2 349 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|0,0,0]=2 351 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|0,1,1]=4 360 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|0,0,1]=3 377 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|0,1,0]=3 393 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|0,1,0]=3 394 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,1,0,0,1,0|1,0,1]=4 402 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,1,0,0,1,0|1,0,1]=4 403 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,1,0,0,1,0|1,0,1]=4 404 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [0,1,0,0,1,0|2,0,0]=4 405 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [0,1,0,0,1,0|2,0,0]=4 408 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,1,0,0,1,0|1,0,1]=4 410 B10R1.66 CC(C)CCC1=COC=C1 CNP0161976.0 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,1,0,0,1,0|1,1,0]=4 412 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,1,0,0,0,1|1,0,1]=4 413 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.1 CCCCCC1=COC(=O)C=C1 CNP0537996.0 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.1 CCCCCN1C=CC(=N)C=C1 CNP0444738.0 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.1 CCCCCN1C=CC(=[N])C=C1 CNP0587495.0 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|0,0,1]=3 428 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,2,0,0,0,0|0,0,1]=3 429 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,2,0,0,0,0|0,0,1]=3 430 B12R1.16 CCO[C@H](C)C1=CN=C(C=N1)C CNP0206769.1 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,2,0,0,0,0|0,0,1]=3 436 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,2,0,0,0,0|0,0,1]=3 440 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.69 CCCCC1=C(OC(=O)C=C1)C CNP0332727.0 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.385 CCOCC1=CC=C(C(=C1)O)O CNP0111800.0 [0,2,0,0,0,0|0,0,0]=2 455 B12R1.385 CNCCC1=CC=C(C(=C1)Br)O CNP0131805.0 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.385 CNCCC1=CC=C(C(=C1)O)O CNP0309288.0 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.3 CCO[C@H](C#N)C1=CC=CC=C1 CNP0140613.1 [0,2,0,0,0,0|0,0,0]=2 459 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,2,0,0,0,0|0,0,1]=3 460 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,2,0,0,0,0|0,0,1]=3 461 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,2,0,0,0,0|0,0,1]=3 462 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,2,0,0,0,0|0,0,1]=3 463 B12R1.17 CNC[C@@H](O)C1=CC=CC(=C1)O CNP0319778.3 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.17 CNC[C@H](O)C1=CC=CC(=C1)O CNP0319778.1 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|0,0,2]=4 466 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,2,0,0,0,0|1,0,1]=4 470 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,2,0,0,0,0|1,0,1]=4 471 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,2,0,0,0,0|0,0,1]=3 472 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,2,0,0,0,0|0,0,1]=3 475 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.34 CNC(C)[C@@H](O)C1=CC=CC=C1 CNP0171581.6 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.34 CNC(C)[C@H](O)C1=CC=CC=C1 CNP0171581.7 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.5 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.4 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.2 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.34 CN[C@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.1 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.39 CNC[C@](C)(O)C1=CC=CC=C1 CNP0362211.2 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,2,0,0,0,0|0,0,1]=3 488 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,2,0,0,0,0|0,0,1]=3 489 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,2,0,0,0,0|0,0,1]=3 492 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,2,0,0,0,0|0,0,1]=3 493 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.25 CCCCC1=CC=CC(=C1O)C CNP0087721.0 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.25 OCCCC1=CC=CC(=C1O)O CNP0276683.0 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,2,0,0,0,0|0,0,1]=3 500 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.125 CC(C)COC1=CC=CC=C1N CNP0436425.0 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.267 CCCCOC1=CC=CC=C1N CNP0241644.0 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.374 CCCCC1=CC(=CC=C1C)O CNP0421010.0 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.374 CCCCN1C=C(C=CC1=O)Br CNP0046432.0 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.374 CCCCN1C=C(C=CC1=O)Cl CNP0037716.0 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.28 CCC=CCC1=CC=CC(=O)O1 CNP0355411.0 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.100 CCCCC1=CC(=CC(=C1)C)C CNP0235079.0 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,2,0,0,0,0|0,0,1]=3 511 B12R1.382 COC1=CC=CC(=C1)CCCN CNP0009838.0 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.8 C#CCC#CCC1=CC=CC=C1 CNP0245837.0 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.8 CC#CC#CCC1=CC=CC=C1 CNP0185877.0 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.8 CCC#CC#CC1=CC=CC=C1 CNP0371831.0 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.8 S=C=NCCCC1=CC=CC=C1 CNP0186955.0 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.27 CC(COC1=CC=CC=C1)NN CNP0561827.0 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,2,0,0,0,0|0,0,1]=3 536 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.32 C#CCN(C)CC1=CC=CC=C1 CNP0312462.0 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,2,0,0,0,0|0,0,1]=3 545 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,2,0,0,0,0|0,0,1]=3 546 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,2,0,0,0,0|0,1,1]=4 547 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,2,0,0,0,0|0,0,1]=3 552 B12R1.252 CC(C)CN=CC1=CC=CC=C1 CNP0478741.0 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,2,0,0,0,0|0,1,1]=4 555 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [0,2,0,0,0,0|0,1,0]=3 568 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 CNP0208726.0 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [0,2,0,0,0,0|2,0,0]=4 572 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,0]=2 573 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,0]=2 574 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|2,0,0]=4 575 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|1,0,0]=3 576 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|0,0,2]=4 577 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|0,0,2]=4 578 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|1,0,1]=4 579 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|0,0,0]=2 580 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|0,0,0]=2 581 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,0]=3 582 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,2]=4 583 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,1]=4 584 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|0,0,0]=2 585 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|1,0,0]=3 586 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|1,1,0]=4 587 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [1,0,0,1,0,0|0,0,2]=4 588 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|1,0,0]=3 589 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,1]=4 590 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|0,0,0]=2 591 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|0,0,0]=2 592 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 593 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 594 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 595 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 596 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,1]=4 597 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,0]=3 598 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,0]=3 599 B12R2.24 CC1=CC2=C(C=N1)CCCC2 CNP0203215.0 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [0,1,0,1,0,0|1,0,0]=3 601 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,1,0,1,0,0|1,0,0]=3 602 B12R2.24 IC1=CC=C2CCNCC2=C1 CNP0494703.0 [0,1,0,1,0,0|1,0,0]=3 603 B12R2.24 O=C1C=C2COCCC2=NN1 CNP0398736.0 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.24 O=C1C=CC2=C(O1)CCCC2 CNP0079762.0 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,1,0,1,0,0|0,0,1]=3 606 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.24 OC1=CC=C2CCNCC2=C1 CNP0284580.0 [0,1,0,1,0,0|1,0,0]=3 611 B12R2.24 OC1=CC=C2CNCCC2=C1 CNP0194768.0 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,1,0,1,0,0|0,0,0]=2 613 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|1,0,0]=3 614 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,1,0,1,0,0|1,0,1]=4 617 B12R2.2 C1=CN=CC(=C1)[C@@H]2CCCN2 CNP0110438.2 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.2 C1=CN=CC(=C1)[C@H]2CCCN2 CNP0110438.1 [0,1,0,1,0,0|2,0,0]=4 619 B12R2.116 CC1(CNC1)C2=CC=CC=C2 CNP0381007.0 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.1081 CC1=CC=CC2=C1CCCC2 CNP0246317.0 [0,1,0,1,0,0|1,0,0]=3 621 B12R2.1081 CC1=CC=NC2=C1CCCC2 CNP0208012.0 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [0,1,0,1,0,0|1,0,1]=4 623 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|1,0,1]=4 624 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|0,0,1]=3 625 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|0,0,1]=3 627 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.1081 OC1=CC=CC2=C1CNCC2 CNP0142475.0 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|1,0,1]=4 632 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|1,0,1]=4 634 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|1,0,1]=4 635 B12R2.2028 C[C@@H]1C[C@H](C2=NC=CC=C12)C CNP0115326.1 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.2028 C[C@H]1C[C@H](C2=CC=NC=C12)O CNP0250441.1 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,1,0,1,0,0|1,0,1]=4 643 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.196 CC1=CN=CC2=C1CC[C@@H]2C CNP0181590.1 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.196 CC1=CN=CC2=C1CC[C@H]2C CNP0181590.2 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|1,0,1]=4 649 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|1,0,1]=4 650 B12R2.203 C[C@H]1CCC2=CC=CC(=C12)O CNP0249433.1 [0,1,0,1,0,0|1,0,0]=3 651 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.612 OB1OCC2=CC(=CC=C12)Cl CNP0572392.0 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.18 C[C@@H]1C2=CC=NC=C2C[C@H]1O CNP0245234.1 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.18 C[C@@H]1C2=CN=CC=C2C[C@@H]1O CNP0103482.4 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.18 C[C@@H]1C2=CN=CC=C2C[C@H]1O CNP0103482.1 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.18 C[C@H]1C2=CN=CC=C2C[C@@H]1O CNP0103482.3 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.18 C[C@H]1C2=CN=CC=C2C[C@H]1O CNP0103482.2 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.92 ClC1(C[C@@H]1C2=CC=CC=C2)Cl CNP0057458.1 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.92 ClC1(C[C@H]1C2=CC=CC=C2)Cl CNP0057458.2 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.2403 CC1(C=NC2=CC=CC=C12)C CNP0037740.0 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.2403 CC1(CNC2=CC=CC=C12)C CNP0335282.0 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|1,0,0]=3 677 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|1,0,0]=3 678 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|1,0,0]=3 679 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [1,0,0,0,1,0|2,0,0]=4 680 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [1,0,0,0,1,0|2,0,0]=4 681 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,1,0|1,0,0]=3 682 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,0,0,0,1,0|1,1,0]=4 683 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|2,0,0]=4 684 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|2,0,0]=4