0 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,0,0,0,0|1,1,1]=3 12 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,0,0,0,0|1,1,1]=3 22 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,0,0,0,0|1,0,1]=2 26 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,0,0,0,0|0,0,0]=0 31 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,0,0,0,0,0|1,0,3]=4 32 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,0,0,0,0,0|1,0,3]=4 33 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,0,0,0,0|0,1,2]=3 36 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,0,0,0,0,0|1,1,1]=3 38 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,0,0,0,0|1,1,0]=2 40 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|1,1,0]=3 43 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|0,0,1]=2 54 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|0,1,1]=3 55 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|1,1,1]=4 56 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|1,1,1]=4 58 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|0,0,0]=1 62 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|0,0,0]=1 65 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|0,1,1]=3 66 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|0,0,2]=3 67 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|0,1,1]=3 69 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|1,1,1]=4 70 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|0,1,1]=3 71 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,1,0,0,0,0|1,0,1]=3 73 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [0,1,0,0,0,0|1,1,1]=4 82 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [0,1,0,0,0,0|1,1,1]=4 95 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [0,1,0,0,0,0|1,1,1]=4 96 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|1,0,2]=4 99 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.17 CC1=CC=CC=C1CSC#N CNP0032875.0 [0,1,0,0,0,0|1,1,1]=4 104 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.28 C#CC#CCC1=CC=CC=C1 CNP0119313.0 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [0,1,0,0,0,0|1,1,1]=4 131 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,1,0,0,0,0|1,1,0]=3 132 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,1,0,0,0,0|0,0,0]=1 159 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,1,0,0,0,0|1,1,0]=3 169 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,1,0,0,0|2,0,1]=4 181 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|2,0,0]=3 186 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|2,0,1]=4 189 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.1 N=C1ON=C2C1=CC=CN2 CNP0272100.0 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.1 N=C1ON=C2C1=CNC=C2 CNP0283866.0 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.1 N=C1ON=C2N1C=CC=C2 CNP0197743.0 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.1 N=C1ONC2=CC=CN=C12 CNP0051116.0 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.1 N=C1ONC2=CC=NC=C12 CNP0173963.0 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.1 N=C1ONC2=CN=CC=C12 CNP0352829.0 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.1 NC1=C2C=CC=NC2=NO1 CNP0001255.0 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.1 NC1=C2C=CN=CC2=NO1 CNP0293891.0 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.1 NC1=C2C=NC=CC2=NO1 CNP0277328.0 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.1 NC1=C2N=CC=CC2=NO1 CNP0001258.0 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|2,0,0]=3 204 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|1,0,0]=2 206 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|2,0,0]=3 207 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,1,0,0|1,0,1]=3 209 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|1,0,0]=2 210 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,0,0,1,0,0|3,0,0]=4 213 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,1,0,0|2,0,0]=3 215 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|0,0,0]=1 216 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 CNP0580916.0 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,0,1,0,0|2,0,0]=3 224 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [0,0,0,1,0,0|2,0,1]=4 227 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [0,0,0,1,0,0|2,0,1]=4 228 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,0,0,1,0,0|2,0,1]=4 229 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [0,0,0,1,0,0|3,0,0]=4 232 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [0,0,0,1,0,0|2,0,1]=4 233 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,0,1,0,0|0,0,2]=3 235 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|2,0,0]=3 237 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,0,0,1,0,0|2,0,1]=4 238 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,0,0,0,1,0|2,0,1]=4 241 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [0,0,0,0,1,0|2,0,1]=4 242 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,0,0,1,0|2,0,1]=4 243 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,0,0,0,1,0|2,0,0]=3 244 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,0,0,0,1,0|1,0,0]=2 245 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,0,0,0,1,0|1,1,0]=3 246 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|0,0,2]=4 247 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [1,0,1,0,0,0|2,0,0]=4 248 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 249 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,1]=3 250 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,1]=4 251 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,1]=4 252 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,1]=3 253 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,1]=4 254 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,1]=4 255 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,1]=4 256 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,1]=4 257 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|0,0,1]=3 258 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,1]=4 259 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,0,1]=4 260 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|0,0,2]=4 261 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|0,1,1]=4 262 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 264 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 265 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 269 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 271 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 275 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 276 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 279 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 280 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 281 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 282 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 283 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 284 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|1,0,0]=3 285 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,1,1,0,0,0|2,0,0]=4 286 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [0,1,1,0,0,0|1,0,1]=4 287 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|0,0,1]=3 297 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|0,0,2]=4 302 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|0,0,1]=3 313 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|0,0,2]=4 317 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,1,0,0,0,0|1,1,0]=4 331 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,1,0,0,0,0|1,1,0]=4 332 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,0]=2 333 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|0,0,2]=4 342 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|0,0,2]=4 345 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,1]=3 352 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,2]=4 354 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,2]=4 355 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,2]=4 356 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,0]=2 363 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,1,0]=4 368 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|0,1,1]=4 373 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|0,1,1]=4 374 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,1,0,0,0,0|1,1,0]=4 377 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [1,1,0,0,0,0|1,1,0]=4 381 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,1,0,0,0,0|1,1,0]=4 382 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|0,0,0]=2 384 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,1,0,0,1,0|1,0,0]=3 388 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,1,0,0,1,0|1,1,0]=4 389 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,2,0,0,0,0|0,0,0]=2 398 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,2,0,0,0,0|0,0,0]=2 405 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,2,0,0,0,0|0,0,0]=2 419 B12R1.385 CCOCC1=CC=C(C(=C1)O)O CNP0111800.0 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.3 C=CC(CC=O)C1=CC=CC=C1 CNP0002677.0 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 CNP0393554.0 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.3 CCO[C@H](C#N)C1=CC=CC=C1 CNP0140613.1 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.3 CC[C@@H](NC=O)C1=CC=CC=C1 CNP0538754.1 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.3 O=CN[C@@H](CO)C1=CC=CC=C1 CNP0504966.1 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.34 CC(C1=CC=CC=C1)C(N)C=O CNP0518505.1 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.34 C[C@@H](C1=CC=CC=C1)N(C)C=O CNP0565966.1 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,2,0,0,0,0|1,1,0]=4 437 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,2,0,0,0,0|0,0,1]=3 444 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,2,0,0,0,0|0,0,0]=2 451 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.28 O=CC=COC1=CC=CC(=C1)O CNP0162512.0 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.226 N=C(N)NCC1=CC=CC(=C1)I CNP0461583.0 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.226 NC(=NCC1=CC=CC(=C1)I)N CNP0595788.0 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.8 O=CC=CC=CC1=CC=CC=C1 CNP0470167.0 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [0,2,0,0,0,0|0,0,0]=2 475 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [0,2,0,0,0,0|0,0,0]=2 476 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [0,2,0,0,0,0|1,1,0]=4 477 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [0,2,0,0,0,0|1,1,0]=4 478 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,2,0,0,0,0|0,0,0]=2 487 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,2,0,0,0,0|0,0,0]=2 488 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,2,0,0,0,0|0,0,0]=2 490 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,2,0,0,0,0|0,1,0]=3 504 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,2,0,0,0,0|2,0,0]=4 531 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,1]=3 532 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,1]=3 533 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|1,0,1]=4 534 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|1,0,0]=3 535 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|1,0,1]=4 536 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|0,0,1]=3 537 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|1,0,0]=3 538 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|0,1,1]=4 539 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|2,0,0]=4 540 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|1,0,1]=4 541 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|0,0,1]=3 542 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|1,0,1]=4 543 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,1,0,0|2,0,0]=4 544 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,1]=4 545 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 546 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|1,0,0]=3 547 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,0]=3 548 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|0,0,2]=4 549 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|0,0,2]=4 550 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|0,1,1]=4 551 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,1,0,0|1,1,0]=4 552 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|2,0,0]=4 553 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,0]=3 554 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,1]=4 555 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,1]=4 556 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,1]=4 557 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,1]=4 558 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,1]=4 559 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,1]=4 560 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,0]=2 561 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,2]=4 562 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,2]=4 563 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,1,1,0|2,0,0]=4 564 B12R2.41 C1=CC=C2CC=CC=C2C=C1 CNP0563249.0 [0,0,0,1,0,1|2,0,0]=4 565 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,1,0,1,0,0|1,0,1]=4 566 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,1,0,1,0,0|1,0,1]=4 567 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,1,0,1,0,0|1,0,1]=4 568 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,1,0,1,0,0|0,0,0]=2 569 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,1,0,1,0,0|1,0,0]=3 570 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,1,0,1,0,0|1,0,0]=3 571 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,1,0,1,0,0|1,0,1]=4 575 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,1,0,1,0,0|1,0,1]=4 580 B12R2.2 C1=CC=C(C=C1)C2=COC=C2 CNP0103654.0 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,1,0,1,0,0|1,0,1]=4 583 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,1,0,1,0,0|1,0,1]=4 584 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|1,0,0]=3 585 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|1,0,0]=3 587 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|0,0,0]=2 588 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,1,0,1,0,0|1,0,1]=4 589 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|1,0,0]=3 592 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,1,0,1,0,0|0,0,1]=3 593 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|0,0,0]=2 594 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,1,0,1,0,0|1,0,0]=3 595 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,1,0,1,0,0|1,0,0]=3 596 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|1,0,1]=4 597 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|1,0,0]=3 601 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|1,0,0]=3 604 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.2028 N=C1OC(=O)C2=CC=CN=C12 CNP0140879.0 [0,1,0,1,0,0|1,0,1]=4 606 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,1,0,0|0,0,1]=3 608 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|0,0,0]=2 610 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|0,0,0]=2 611 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|0,0,0]=2 612 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,1,0,0|0,1,1]=4 613 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,1,0,1,0,0|1,0,1]=4 614 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|0,0,0]=2 616 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|0,0,0]=2 617 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|1,0,0]=3 618 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|0,0,0]=2 619 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|0,0,0]=2 621 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.612 OB1OCC2=CC(=CC=C12)Cl CNP0572392.0 [0,1,0,1,0,0|1,0,1]=4 625 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [0,1,0,1,0,0|2,0,0]=4 627 B12R2.1 O=CC1=C2C=CC=CC2=NN1 CNP0129572.0 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,1,0,0|1,0,1]=4 629 B12R2.1 O=CC1=NNC2=CC=CC=C12 CNP0602039.0 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,1,0,1,0,0|1,0,0]=3 631 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|1,0,0]=3 635 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.2051 C=C[C@@]1(CC2=CC=CC=C12)C CNP0056455.2 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.2051 C=C[C@]1(CC2=CC=CC=C12)C CNP0056455.1 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,1,0,1,0,0|1,0,0]=3 640 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,0,0,0,1,0|2,0,0]=4 642 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [1,0,0,0,1,0|2,0,0]=4 643 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,1,0|1,0,1]=4 644 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,0,0,0,1,0|1,0,0]=3 645 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [1,0,0,0,1,0|2,0,0]=4 646 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [1,0,0,0,1,0|2,0,0]=4