0 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,0,0,0,0,0|2,0,0]=2 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|1,0,3]=4 6 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,0,0,0,0|2,0,1]=3 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|3,0,0]=3 20 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,0,0,0,0,0|1,0,3]=4 21 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,0,0,0,0,0|1,0,1]=2 22 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,0,0,0,0,0|1,0,3]=4 24 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,0,0,0,0|0,0,2]=2 29 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,0,0,0,0|0,0,0]=0 30 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,0,0,0,0,0|0,0,4]=4 34 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,0,0,0,0,0|0,0,4]=4 35 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,0,0,0,0,0|0,0,2]=2 36 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,0,0,0,0|1,0,2]=3 38 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,0,0,0,0,0|1,1,1]=3 40 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,0,0,0,0,0|1,1,1]=3 41 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,0,0,0,0|1,1,0]=2 42 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|0,0,1]=2 43 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|0,0,1]=2 48 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|0,0,0]=1 65 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|0,0,1]=2 70 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|1,1,1]=4 73 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|0,1,0]=2 74 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|2,1,0]=4 75 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,1,0,0,0,0|0,0,2]=3 77 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,1,0,0,0,0|0,0,2]=3 90 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [0,1,0,0,0,0|1,1,1]=4 92 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,1,0,0,0,0|0,0,2]=3 93 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [0,1,0,0,0,0|1,1,1]=4 109 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [0,1,0,0,0,0|1,1,1]=4 110 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|0,0,2]=3 114 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.17 CC1=CC=CC=C1CSC#N CNP0032875.0 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.17 N#CCCN1C=CC=CC1=O CNP0136265.0 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,1,0,0,0,0|0,0,2]=3 126 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,1,0,0,0,0|0,0,2]=3 127 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,1,0,0,0,0|0,0,2]=3 130 B11R1.28 C#CC#CCC1=CC=CC=C1 CNP0119313.0 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,1,0,0,0,0|0,0,1]=2 148 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [0,1,0,0,0,0|0,0,3]=4 150 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,1,0,0,0,0|0,0,2]=3 151 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [0,1,0,0,0,0|0,0,3]=4 152 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,1,0,0,0,0|0,0,1]=2 153 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [0,1,0,0,0,0|0,1,1]=3 154 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,1,0,0,0,0|0,1,1]=3 155 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,0|0,0,2]=3 156 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,0|0,0,0]=1 165 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,0|0,0,0]=1 171 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,0,0,0,0|0,0,2]=3 175 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,0|0,0,2]=3 176 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,0|0,0,2]=3 177 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,1,0,0,0,0|0,0,2]=3 180 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,1,0,0,0,0|0,0,0]=1 181 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,1,0,0,0,0|0,0,2]=3 187 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,1,0,0,0,0|1,1,0]=3 192 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,1,0,0,0,0|0,0,2]=3 193 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,1,0,0,0,0|0,0,0]=1 194 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,1,0,0,0,0|0,0,2]=3 195 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,1,0,0,0,0|0,0,2]=3 196 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,0,0,0,0|0,0,0]=1 198 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,1,0,0,0,0|1,0,1]=3 203 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,1,0,0,0|1,0,1]=3 204 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,0,1,0,0,0|2,0,1]=4 205 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,1,0,0|2,0,1]=4 206 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,1,0,0|1,0,2]=4 208 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,1,0,0|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 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|1,0,1]=3 213 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,1,0,0|2,0,1]=4 214 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|2,0,0]=3 217 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,1,0,0|1,0,1]=3 220 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|0,0,0]=1 221 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|1,0,0]=2 222 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|1,0,0]=2 223 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,1,0,0|1,0,1]=3 224 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|1,0,0]=2 225 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,1,0,0|2,0,0]=3 230 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|1,0,0]=2 231 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|1,0,2]=4 232 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|1,0,1]=3 233 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|1,0,1]=3 235 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|1,0,1]=3 236 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|1,0,1]=3 237 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,0,1,0,0|1,0,0]=2 238 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,0,1,0,0|2,0,0]=3 239 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [0,0,0,1,0,0|1,0,2]=4 241 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [0,0,0,1,0,0|2,0,1]=4 242 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,0,0,1,0,0|1,0,1]=3 243 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,0,0,1,0,0|2,0,0]=3 244 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [0,0,0,1,0,0|1,0,2]=4 245 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [0,0,0,1,0,0|2,0,1]=4 246 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [0,0,0,1,0,0|2,0,1]=4 247 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,0,0,1,0,0|1,0,1]=3 248 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,0,1,0,0|1,0,2]=4 249 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,0,0,1,0,0|2,0,1]=4 250 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|1,0,0]=2 251 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|1,0,0]=2 252 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,0,0,1,0,0|1,0,1]=3 253 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,0,0,1,0,0|1,0,1]=3 254 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|1,0,2]=4 255 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,0,0,1,0|2,0,1]=4 256 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,0,0,0,1,0|2,0,1]=4 257 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,0,0,0,1,0|2,0,1]=4 258 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [0,0,0,0,1,0|1,0,2]=4 259 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,0,0,1,0|1,0,2]=4 260 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,0,0,0,1,0|2,0,0]=3 262 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,0,0,0,1,0|2,0,0]=3 263 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|0,0,2]=4 264 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|1,0,1]=4 265 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [1,0,1,0,0,0|2,0,0]=4 266 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 267 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,1]=3 268 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,1]=4 269 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,1]=4 270 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 271 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 280 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 283 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 288 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 289 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 290 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,1]=3 294 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,1]=4 295 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,1]=4 296 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 297 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 298 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 299 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 300 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,1]=3 301 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 302 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|0,0,0]=2 303 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,1,1,0,0,0|1,0,1]=4 304 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,1,1,0,0,0|1,0,1]=4 305 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [0,1,1,0,0,0|0,0,2]=4 306 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,1]=3 307 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|0,0,1]=3 308 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|0,0,1]=3 312 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|0,0,1]=3 323 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|0,0,1]=3 325 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|0,0,1]=3 326 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|0,0,1]=3 331 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|0,0,1]=3 332 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|0,0,1]=3 342 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|0,0,1]=3 349 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|0,0,2]=4 350 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|0,0,1]=3 351 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|0,0,2]=4 352 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|0,0,2]=4 353 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|0,0,1]=3 354 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|0,0,2]=4 360 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|0,0,1]=3 369 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,1]=3 379 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|0,0,1]=3 387 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,1,0]=4 394 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|0,0,1]=3 401 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,1,0,0,0,0|1,1,0]=4 405 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|0,0,0]=2 406 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [1,1,0,0,0,0|1,1,0]=4 409 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,1,0,0,0,0|1,1,0]=4 410 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|0,0,0]=2 411 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.27 N[C@H](C=O)CC1=CN=CN1 CNP0338079.1 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.27 N[C@H](C=O)CC1=CNC=N1 CNP0586262.1 [0,1,0,0,1,0|2,0,0]=4 417 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,1,0,0,1,0|2,0,0]=4 419 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.66 O=C(O)CCN1C=CN=C1 CNP0153546.0 [0,1,0,0,1,0|2,0,0]=4 423 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,2,0,0,0,0|0,0,2]=4 431 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,2,0,0,0,0|0,0,2]=4 433 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [0,2,0,0,0,0|0,0,0]=2 434 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|0,0,2]=4 439 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,2,0,0,0,0|0,0,2]=4 440 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,2,0,0,0,0|0,0,2]=4 446 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,2,0,0,0,0|0,0,2]=4 449 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,2,0,0,0,0|0,0,2]=4 450 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,2,0,0,0,0|0,0,2]=4 451 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,2,0,0,0,0|0,0,2]=4 452 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,2,0,0,0,0|0,0,0]=2 453 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,2,0,0,0,0|0,0,0]=2 456 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,2,0,0,0,0|0,0,2]=4 457 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,2,0,0,0,0|0,0,2]=4 458 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,2,0,0,0,0|0,0,2]=4 459 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,2,0,0,0,0|0,0,0]=2 460 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,2,0,0,0,0|0,0,0]=2 466 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,2,0,0,0,0|0,0,2]=4 467 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,2,0,0,0,0|0,0,0]=2 468 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,2,0,0,0,0|0,0,2]=4 469 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,2,0,0,0,0|0,0,2]=4 472 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.385 CNCCC1=CC=C(C(=C1)Br)O CNP0131805.0 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.385 CNCCC1=CC=C(C(=C1)O)O CNP0309288.0 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [0,2,0,0,0,0|0,0,2]=4 477 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [0,2,0,0,0,0|0,0,2]=4 478 B12R1.3 C=CC(CC=O)C1=CC=CC=C1 CNP0002677.0 [0,2,0,0,0,0|0,0,0]=2 479 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 CNP0393554.0 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.3 CC[C@@H](NC=O)C1=CC=CC=C1 CNP0538754.1 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.3 O=CN[C@@H](CO)C1=CC=CC=C1 CNP0504966.1 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.17 CNC[C@@H](O)C1=CC=CC(=C1)O CNP0319778.3 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.17 CNC[C@H](O)C1=CC=CC(=C1)O CNP0319778.1 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.34 CC(C1=CC=CC=C1)C(N)C=O CNP0518505.1 [0,2,0,0,0,0|0,0,0]=2 489 B12R1.34 CNC(C)[C@@H](O)C1=CC=CC=C1 CNP0171581.6 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.34 CNC(C)[C@H](O)C1=CC=CC=C1 CNP0171581.7 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.5 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.4 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.2 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.34 CN[C@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.1 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.34 C[C@@H](C1=CC=CC=C1)N(C)C=O CNP0565966.1 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.39 CNC[C@](C)(O)C1=CC=CC=C1 CNP0362211.2 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,2,0,0,0,0|0,0,1]=3 498 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,2,0,0,0,0|0,0,0]=2 504 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,2,0,0,0,0|0,1,0]=3 507 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,2,0,0,0,0|0,0,0]=2 508 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,2,0,0,0,0|0,0,0]=2 510 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.25 CCCCC1=CC=CC(=C1O)C CNP0087721.0 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.25 OCCCC1=CC=CC(=C1O)O CNP0276683.0 [0,2,0,0,0,0|0,0,2]=4 516 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [0,2,0,0,0,0|0,0,2]=4 517 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,2,0,0,0,0|0,0,2]=4 518 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,2,0,0,0,0|0,0,0]=2 519 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,2,0,0,0,0|0,0,2]=4 525 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,2,0,0,0,0|0,0,2]=4 526 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,2,0,0,0,0|0,0,2]=4 528 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,2,0,0,0,0|0,0,2]=4 529 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,2,0,0,0,0|0,0,2]=4 530 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.267 CCCCOC1=CC=CC=C1N CNP0241644.0 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,2,0,0,0,0|0,0,0]=2 534 B12R1.374 C=CCOC1=CC(=CC=C1N)C CNP0059333.0 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.374 CCCCC1=CC(=CC=C1C)O CNP0421010.0 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.28 O=CC=COC1=CC=CC(=C1)O CNP0162512.0 [0,2,0,0,0,0|0,0,2]=4 537 B12R1.100 CCCCC1=CC(=CC(=C1)C)C CNP0235079.0 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.226 N=C(N)NCC1=CC=CC(=C1)I CNP0461583.0 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.226 NC(=NCC1=CC=CC(=C1)I)N CNP0595788.0 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,2,0,0,0,0|0,0,2]=4 542 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,2,0,0,0,0|0,0,2]=4 543 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,2,0,0,0,0|0,0,2]=4 544 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.226 O=C(O)CSC1=CC=CC(=N1)Cl CNP0286786.0 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.382 COC1=CC=CC(=C1)CCCN CNP0009838.0 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.8 C#CCC#CCC1=CC=CC=C1 CNP0245837.0 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.8 O=CC=CC=CC1=CC=CC=C1 CNP0470167.0 [0,2,0,0,0,0|0,0,2]=4 556 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [0,2,0,0,0,0|0,0,1]=3 557 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [0,2,0,0,0,0|0,0,0]=2 558 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.8 S=C=NCCCC1=CC=CC=C1 CNP0186955.0 [0,2,0,0,0,0|0,1,1]=4 560 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [0,2,0,0,0,0|0,1,0]=3 561 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [0,2,0,0,0,0|0,1,0]=3 562 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.27 CC(COC1=CC=CC=C1)NN CNP0561827.0 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,2,0,0,0,0|0,0,0]=2 565 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,2,0,0,0,0|0,0,2]=4 569 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,2,0,0,0,0|0,0,2]=4 570 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,2,0,0,0,0|0,0,2]=4 571 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,2,0,0,0,0|0,0,2]=4 576 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.32 C#CCN(C)CC1=CC=CC=C1 CNP0312462.0 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,2,0,0,0,0|0,0,0]=2 580 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,2,0,0,0,0|0,0,0]=2 586 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,2,0,0,0,0|0,0,0]=2 587 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,2,0,0,0,0|0,0,1]=3 588 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,2,0,0,0,0|0,0,1]=3 591 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,2,0,0,0,0|0,0,0]=2 595 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,2,0,0,0,0|0,0,0]=2 596 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,2,0,0,0,0|0,0,2]=4 597 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,2,0,0,0,0|0,0,2]=4 598 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,2,0,0,0,0|0,0,1]=3 599 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,2,0,0,0,0|0,0,0]=2 601 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,2,0,0,0,0|0,0,2]=4 603 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,2,0,0,0,0|0,0,0]=2 605 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,2,0,0,0,0|0,0,2]=4 607 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,2,0,0,0,0|0,0,1]=3 611 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,2,0,0,0,0|0,0,0]=2 612 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O CNP0504436.1 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,2,0,0,0,0|0,0,2]=4 616 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O CNP0307488.2 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.43 N[C@@H](CC1C=CC=CC1)C(=O)O CNP0486521.1 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.43 N[C@H](CC1=CCC=CC1)C(=O)O CNP0307488.1 [0,2,0,0,0,0|0,0,2]=4 624 B12R1.43 N[C@H](CC1C=CCC=C1)C(=O)O CNP0412664.1 [0,2,0,0,0,0|0,0,2]=4 625 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,2,0,0,0,0|0,0,2]=4 626 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,2,0,0,0,0|0,0,2]=4 627 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,2,0,0,0,0|0,0,1]=3 628 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,2,0,0,0,0|0,0,0]=2 629 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,2,0,0,0,0|0,0,0]=2 630 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,2,0,0,0,0|0,0,2]=4 631 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.194 CC(C)(CC1=CC=CC=C1)NO CNP0387326.0 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 CNP0208726.0 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,2,0,0,0,0|0,0,2]=4 635 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.891 O=S(=O)([O-])CC[N+]1=CC=CC=C1 CNP0541829.0 [0,2,0,0,0,0|2,0,0]=4 639 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,1]=3 640 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,1]=3 641 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|1,0,1]=4 642 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|0,0,1]=3 643 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|1,0,1]=4 644 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|1,0,1]=4 645 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|2,0,0]=4 646 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|1,0,1]=4 647 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|1,0,1]=4 648 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|0,0,1]=3 649 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|1,0,1]=4 650 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|1,0,1]=4 651 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,1,0,0|2,0,0]=4 652 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,0]=3 653 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 654 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,2]=4 655 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,1]=4 656 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|0,0,1]=3 657 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|1,0,1]=4 658 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|0,1,1]=4 659 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,1,0,0|1,1,0]=4 660 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|1,1,0]=4 661 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|2,0,0]=4 662 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|1,0,1]=4 663 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,0]=3 664 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|0,0,1]=3 665 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|0,0,1]=3 666 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 667 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 668 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 669 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 670 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,0]=2 671 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,1]=3 672 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,1]=3 673 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,1,1,0|1,0,0]=3 674 B12R2.41 C1=CC=C2CC=CC=C2C=C1 CNP0563249.0 [0,0,0,1,0,1|1,0,1]=4 675 B12R2.586 O=C1CCC2=C1NCCC=C2 CNP0002631.0 [0,0,0,1,0,1|0,0,2]=4 676 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.24 IC1=CC=C2CCNCC2=C1 CNP0494703.0 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,1,0,1,0,0|0,0,2]=4 680 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,1,0,1,0,0|0,0,2]=4 681 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,1,0,1,0,0|0,0,2]=4 682 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,1,0,1,0,0|1,0,0]=3 683 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,1,0,1,0,0|0,0,0]=2 684 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,1,0,1,0,0|0,0,0]=2 685 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,1,0,1,0,0|0,0,0]=2 686 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,1,0,1,0,0|1,0,0]=3 687 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,1,0,1,0,0|1,0,0]=3 688 B12R2.24 O=C1CSC2=NC=CC=C2N1 CNP0047542.0 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.24 OC1=CC=C2CCNCC2=C1 CNP0284580.0 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.24 OC1=CC=C2CNCCC2=C1 CNP0194768.0 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|0,0,0]=2 695 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|0,0,0]=2 697 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|1,0,0]=3 698 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,1,0,0|0,0,2]=4 699 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,1,0,0|0,0,2]=4 700 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,1,0,1,0,0|1,0,1]=4 701 B12R2.116 CC1(CNC1)C2=CC=CC=C2 CNP0381007.0 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.1081 CC1=CC=CC2=C1CCCC2 CNP0246317.0 [0,1,0,1,0,0|1,0,1]=4 703 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [0,1,0,1,0,0|1,0,1]=4 704 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,1,0,1,0,0|0,0,2]=4 705 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,1,0,1,0,0|0,0,2]=4 706 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|0,0,0]=2 707 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|0,0,0]=2 708 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|0,0,0]=2 709 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|0,0,0]=2 710 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,1,0,1,0,0|0,0,2]=4 712 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|0,0,0]=2 714 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,1,0,1,0,0|0,0,2]=4 715 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|0,0,0]=2 716 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.1081 OC1=CC=CC2=C1CNCC2 CNP0142475.0 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|0,0,1]=3 720 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|0,0,2]=4 721 B12R2.2028 C=C1CC(C2=CC=NC=C12)O CNP0199160.0 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|1,0,1]=4 723 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|1,0,1]=4 725 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|0,0,0]=2 726 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,1,0,1,0,0|1,0,0]=3 727 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|0,0,0]=2 729 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,1,0,1,0,0|1,0,0]=3 730 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,1,0,0|1,0,1]=4 731 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,1,0,0|1,0,1]=4 732 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|1,0,0]=3 734 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|1,0,0]=3 735 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,1,0,0|1,0,1]=4 736 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,1,0,1,0,0|0,0,2]=4 737 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|0,0,0]=2 738 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,1,0,0|1,0,1]=4 739 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|1,0,0]=3 740 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|1,0,0]=3 741 B12R2.203 C[C@H]1CCC2=CC=CC(=C12)O CNP0249433.1 [0,1,0,1,0,0|1,0,1]=4 742 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|0,0,0]=2 743 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|1,0,0]=3 744 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|0,0,0]=2 745 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|1,0,1]=4 747 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|0,0,0]=2 748 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|1,0,0]=3 749 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|0,0,2]=4 751 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [0,1,0,1,0,0|1,0,0]=3 752 B12R2.1 O=CC1=C2C=CC=CC2=NN1 CNP0129572.0 [0,1,0,1,0,0|1,0,1]=4 753 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,1,0,0|0,0,2]=4 754 B12R2.1 O=CC1=NNC2=CC=CC=C12 CNP0602039.0 [0,1,0,1,0,0|1,0,1]=4 755 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,1,0,1,0,0|0,0,0]=2 756 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [0,1,0,1,0,0|1,0,0]=3 757 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,1,0,1,0,0|0,0,2]=4 758 B12R2.18 C=C1C2=CC=CC=C2OC1O CNP0201067.0 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,1,0,0|1,0,1]=4 760 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|0,0,0]=2 761 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|0,0,0]=2 762 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,1,0,1,0,0|1,0,1]=4 763 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,1,0,0|1,0,1]=4 764 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,1,0,0|1,0,1]=4 765 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,1,0,1,0,0|0,0,2]=4 766 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,1,0,1,0,0|0,0,2]=4 767 B12R2.2051 C=C[C@@]1(CC2=CC=CC=C12)C CNP0056455.2 [0,1,0,1,0,0|1,0,0]=3 768 B12R2.2051 C=C[C@]1(CC2=CC=CC=C12)C CNP0056455.1 [0,1,0,1,0,0|1,0,0]=3 769 B12R2.2051 N#C[C@@]1(CC2=CC=CC=C12)Cl CNP0247827.2 [0,1,0,1,0,0|1,0,1]=4 770 B12R2.2051 N#C[C@]1(CC2=CC=CC=C12)Cl CNP0247827.1 [0,1,0,1,0,0|1,0,1]=4 771 B12R2.92 ClC1(C[C@@H]1C2=CC=CC=C2)Cl CNP0057458.1 [0,1,0,1,0,0|1,0,1]=4 772 B12R2.92 ClC1(C[C@H]1C2=CC=CC=C2)Cl CNP0057458.2 [0,1,0,1,0,0|1,0,1]=4 773 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,1,0,1,0,0|0,0,0]=2 774 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,1,0,1,0,0|0,0,0]=2 775 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,0,0,0,1,0|1,0,1]=4 776 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [1,0,0,0,1,0|1,0,1]=4 777 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|1,0,1]=4 778 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|1,0,1]=4 779 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|1,0,1]=4 780 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,0,0,0,1,0|1,0,0]=3 781 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [1,0,0,0,1,0|2,0,0]=4 782 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [1,0,0,0,1,0|2,0,0]=4 783 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|1,0,1]=4 784 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|1,0,1]=4