0 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [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|2,0,1]=3 11 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,0,0,0,0,0|1,0,3]=4 20 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,0,0,0,0|1,0,3]=4 26 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,0,0,0,0|0,0,2]=2 27 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,0,0,0,0|0,0,4]=4 28 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,0,0,0,0|1,0,3]=4 29 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,0,0,0,0|1,0,3]=4 31 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,0,0,0,0,0|0,0,2]=2 32 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,0,0,0,0,0|0,0,0]=0 33 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,0,0,0,0,0|0,0,2]=2 34 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,0,0,0,0,0|1,0,1]=2 35 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,0,0,0,0|1,0,1]=2 36 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,0,0,0,0,0|1,0,1]=2 37 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,0,0,0,0,0|1,1,2]=4 38 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,0,0,0,0,0|1,1,1]=3 39 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,0,0,0,0|1,1,2]=4 40 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|0,0,2]=3 41 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|0,0,0]=1 44 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 CC=CC1CC=CC=N1 CNP0077182.0 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|0,0,2]=3 48 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,2]=4 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|1,0,2]=4 62 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|0,0,2]=3 65 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|0,0,1]=2 69 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|1,1,1]=4 72 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|0,1,1]=3 73 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,1,0,0,0,0|0,0,2]=3 74 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,1,0,0,0,0|0,0,2]=3 84 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,1,0,0,0,0|0,0,2]=3 86 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,1,0,0,0,0|1,1,1]=4 99 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,1,0,0,0,0|0,0,2]=3 101 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|0,0,2]=3 103 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|0,0,2]=3 104 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,1,0,0,0,0|1,0,2]=4 106 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,1,0,0,0,0|0,0,2]=3 110 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,1,0,0,0,0|0,0,2]=3 111 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,1,0,0,0,0|0,0,2]=3 114 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,1,0,0,0,0|1,0,2]=4 122 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,1,0,0,0,0|1,0,2]=4 124 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,1,0,0,0,0|0,0,2]=3 130 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,1,0,0,0,0|0,0,2]=3 132 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [0,1,0,0,0,0|0,0,1]=2 133 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,1,0,0,0,0|0,1,2]=4 135 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,0|0,0,2]=3 136 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,0|1,0,2]=4 145 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,0|0,0,2]=3 148 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,0|0,0,2]=3 149 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,0,0,0,0|0,0,2]=3 152 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,0|0,0,2]=3 153 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,0|0,0,2]=3 154 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,1,0,0,0,0|0,0,2]=3 157 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,1,0,0,0,0|0,0,0]=1 159 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,1,0,0,0,0|0,0,2]=3 163 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,1,0,0,0,0|0,0,2]=3 164 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,1,0,0,0,0|0,0,2]=3 165 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,1,0,0,0,0|0,0,3]=4 166 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,1,0,0,0,0|0,0,1]=2 167 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [0,1,0,0,0,0|0,0,3]=4 169 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,0,0,0,0|0,0,3]=4 170 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,1,0,0,0,0|1,0,2]=4 174 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,1,0,0,0|1,0,2]=4 175 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,1,0,0|2,0,1]=4 176 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,1,0,0|1,0,1]=3 178 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|1,0,2]=4 180 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,1,0,0|1,0,0]=2 184 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,1,0,0|1,0,0]=2 185 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|1,0,2]=4 186 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,1,0,0|2,0,1]=4 187 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,1,0,0|2,0,1]=4 188 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,1,0,0|1,0,2]=4 189 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,1,0,0|1,0,2]=4 190 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|1,0,1]=3 191 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|1,0,2]=4 192 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.1 ON1C=CC2=CC=NN=C12 CNP0168936.0 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.1 ON1C=CC2=CN=CN=C12 CNP0000811.0 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.1 ON1C=CC2=CN=NC=C12 CNP0132654.0 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.1 ON1C=CC2=NC=CN=C12 CNP0000929.0 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.1 ON1C=CC2=NC=NC=C12 CNP0365222.0 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.1 ON1C=CC2=NN=CC=C12 CNP0000930.0 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.1 ON1C=NC2=CC=CN=C12 CNP0026387.0 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.1 ON1C=NC2=CC=NC=C12 CNP0001180.0 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.1 ON1C=NC2=CN=CC=C12 CNP0207833.0 [0,0,0,1,0,0|3,0,0]=4 202 B11R2.1 ON1C=NC2=NC=CC=C12 CNP0001287.0 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.1 ON1N=CC2=CC=CN=C12 CNP0001300.0 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.1 ON1N=CC2=CC=NC=C12 CNP0000859.0 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.1 ON1N=CC2=CN=CC=C12 CNP0006547.0 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.1 ON1N=CC2=NC=CC=C12 CNP0265253.0 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.1 ON1N=NC2=CC=CC=C12 CNP0077091.0 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|1,0,2]=4 209 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|1,0,2]=4 210 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|1,0,2]=4 211 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,0,1,0,0|1,0,0]=2 212 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,0,1,0,0|0,0,0]=1 214 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [0,0,0,1,0,0|1,0,1]=3 215 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [0,0,0,1,0,0|2,0,0]=3 216 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,0,0,1,0,0|1,0,2]=4 217 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,0,0,1,0,0|2,0,1]=4 218 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [0,0,0,1,0,0|1,0,1]=3 219 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,0,0,1,0,0|1,0,2]=4 222 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,0,1,0,0|1,0,1]=3 223 B11R2.20 C1=CN=C2C=NC=CC2=C1 CNP0564328.0 [0,0,0,1,0,0|2,0,1]=4 224 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|1,0,1]=3 225 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,0,0,1,0|1,0,2]=4 226 B11R1.203 CC/C=C/[C@@H]1C=CCC=CC1 CNP0245637.1 [0,0,0,0,0,1|1,0,2]=4 227 B11R1.203 CC/C=C/[C@H]1C=CCC=CC1 CNP0245637.3 [0,0,0,0,0,1|1,0,2]=4 228 B11R1.203 CC/C=C\[C@@H]1C=CCC=CC1 CNP0245637.2 [0,0,0,0,0,1|1,0,2]=4 229 B11R1.203 CC/C=C\[C@H]1C=CCC=CC1 CNP0245637.4 [0,0,0,0,0,1|1,0,2]=4 230 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|0,0,2]=4 231 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 232 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,0]=2 233 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,0]=3 234 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,0]=3 235 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [2,0,0,0,0,0|0,0,2]=4 236 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,1]=3 238 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,1]=4 239 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,1]=4 240 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,1]=4 241 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 243 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 246 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 247 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 248 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 249 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 250 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,1]=3 254 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,1]=4 255 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,1]=4 256 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,1]=4 257 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 258 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 259 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 262 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 263 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 264 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 265 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 266 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,0]=3 267 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,1,1,0,0,0|1,0,0]=3 268 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,1,1,0,0,0|1,0,0]=3 269 B10R0.71 C=CCC=CCC=CCCO CNP0018339.0 [0,1,1,0,0,0|0,0,2]=4 270 B10R0.71 CC=CC=CC#CC=CCO CNP0312353.0 [0,1,1,0,0,0|0,0,2]=4 271 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [0,1,1,0,0,0|0,0,2]=4 272 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [0,1,1,0,0,0|1,0,0]=3 273 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [0,1,1,0,0,0|1,0,1]=4 274 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [0,1,1,0,0,0|1,0,1]=4 275 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,2]=4 276 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|0,0,2]=4 277 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,2]=4 279 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|0,0,0]=2 281 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|0,0,2]=4 283 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,2]=4 292 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|0,0,1]=3 293 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|0,0,2]=4 299 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.4 CC1=CC=NC=C1C=NO CNP0030608.0 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.4 CC=CC1=C(C=CCC1)C CNP0266247.0 [1,1,0,0,0,0|0,0,2]=4 303 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.4 C[N+]1=CC=CC=C1C=NO CNP0581381.0 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|0,0,1]=3 315 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|0,0,2]=4 321 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|0,0,2]=4 322 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|0,0,1]=3 326 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|0,0,1]=3 328 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|0,0,1]=3 329 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|0,0,2]=4 331 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|0,0,0]=2 337 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|0,0,2]=4 340 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|0,0,2]=4 341 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|0,0,2]=4 342 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|0,0,2]=4 343 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|0,0,1]=3 353 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,0]=2 361 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,2]=4 365 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [1,1,0,0,0,0|0,0,2]=4 374 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,1]=3 376 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|0,0,2]=4 385 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,1,0,0,0,0|1,1,0]=4 389 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|0,0,2]=4 390 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,1,0,0,0,0|1,1,0]=4 392 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|0,0,2]=4 394 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|0,0,2]=4 397 B10R1.377 CC=CC1(C=CC=CC1)C CNP0535246.0 [1,1,0,0,0,0|0,0,2]=4 398 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,1,0,0,1,0|2,0,0]=4 399 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [0,1,0,0,1,0|2,0,0]=4 400 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,1,0,0,1,0|1,0,1]=4 401 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [0,1,0,0,1,0|1,0,1]=4 402 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,2,0,0,0,0|0,0,2]=4 404 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,2,0,0,0,0|0,0,2]=4 405 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|0,0,1]=3 411 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|0,0,2]=4 412 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,2,0,0,0,0|0,0,2]=4 414 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,2,0,0,0,0|0,0,1]=3 415 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,2,0,0,0,0|0,0,2]=4 416 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,2,0,0,0,0|0,0,2]=4 417 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,2,0,0,0,0|0,0,2]=4 418 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,2,0,0,0,0|0,0,2]=4 419 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,2,0,0,0,0|0,0,1]=3 420 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,2,0,0,0,0|0,0,1]=3 421 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,2,0,0,0,0|0,0,1]=3 422 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.21 OB(O)C=CC1=CC=C(C=C1)Cl CNP0527100.0 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.49 N=C(NO)NC1=CC=C(C=C1)Cl CNP0512446.0 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,2,0,0,0,0|0,0,2]=4 428 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,2,0,0,0,0|0,0,2]=4 429 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,2,0,0,0,0|0,0,2]=4 430 B12R1.49 ON=C(S)CC1=CC=C(C=C1)O CNP0205375.0 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.69 CCC=CC1=C(OC(=O)C=C1)C CNP0411529.0 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.69 NC1=CC=C(C(=C1)N)OCCO CNP0611677.0 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.71 COC1=CC=C(C=C1)C=CC#N CNP0327482.0 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,2,0,0,0,0|0,0,2]=4 436 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.385 COC=CC1=CC=C(C(=C1)O)O CNP0132109.0 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [0,2,0,0,0,0|0,0,2]=4 440 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [0,2,0,0,0,0|0,0,2]=4 442 B12R1.3 O=CC(=CNO)C1=CC=CC=C1 CNP0028719.0 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,2,0,0,0,0|0,0,1]=3 456 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,2,0,0,0,0|0,0,1]=3 457 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.34 NC[C@@H](N)C(=O)C1=CC=CC=C1 CNP0340732.2 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.34 NC[C@H](N)C(=O)C1=CC=CC=C1 CNP0340732.1 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.25 OCCCC1=CC=CC(=C1O)O CNP0276683.0 [0,2,0,0,0,0|0,0,2]=4 468 B12R1.121 COC1=CC=CC=C1C=CC#N CNP0211278.0 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,2,0,0,0,0|0,0,2]=4 471 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,2,0,0,0,0|0,0,2]=4 472 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,2,0,0,0,0|0,0,1]=3 473 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,2,0,0,0,0|0,0,1]=3 475 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,2,0,0,0,0|0,0,1]=3 476 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,2,0,0,0,0|0,0,1]=3 477 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.28 CCC=CCC1=CC=CC(=O)O1 CNP0355411.0 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.28 CCCC=CC1=CC=CC(=O)O1 CNP0322313.0 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.28 O=CC=COC1=CC=CC(=C1)O CNP0162512.0 [0,2,0,0,0,0|0,0,2]=4 481 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,2,0,0,0,0|0,0,1]=3 482 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,2,0,0,0,0|0,0,1]=3 483 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,2,0,0,0,0|0,0,1]=3 484 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.8 CNCCC=CC1=CC=CN=C1 CNP0127845.0 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.8 O=CC=CC=CC1=CC=CC=C1 CNP0470167.0 [0,2,0,0,0,0|0,0,2]=4 488 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [0,2,0,0,0,0|0,0,0]=2 489 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [0,2,0,0,0,0|0,0,2]=4 490 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,2,0,0,0,0|0,0,2]=4 491 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,2,0,0,0,0|0,0,1]=3 492 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,2,0,0,0,0|0,0,2]=4 496 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,2,0,0,0,0|0,0,2]=4 497 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,2,0,0,0,0|0,0,1]=3 498 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,2,0,0,0,0|0,0,1]=3 501 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.252 CC(C)CN=CC1=CC=CC=C1 CNP0478741.0 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,2,0,0,0,0|0,0,1]=3 511 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,2,0,0,0,0|0,0,2]=4 514 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,2,0,0,0,0|0,0,1]=3 517 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] CNP0485758.0 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,2,0,0,0,0|0,0,2]=4 519 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,2,0,0,0,0|0,0,2]=4 524 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,2,0,0,0,0|0,0,2]=4 525 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,2,0,0,0,0|0,0,2]=4 526 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,2,0,0,0,0|0,0,1]=3 527 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,2,0,0,0,0|0,0,2]=4 528 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,2,0,0,0,0|0,0,1]=3 529 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,2,0,0,0,0|0,0,1]=3 530 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,2,0,0,0,0|0,0,2]=4 533 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,2,0,0,0,0|0,0,2]=4 534 B12R1.118 N#CC(=CC1=CC=CC=C1)C#N CNP0055306.0 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,2,0,0,0,0|0,0,2]=4 536 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,0,1,1,0,0|0,0,2]=4 537 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,0,1,1,0,0|2,0,0]=4 538 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,0,1,1,0,0|2,0,0]=4 539 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,0,1,1,0,0|2,0,0]=4 540 B10R1.172 C=CC1=CC=CC(=C1)C=C CNP0283418.0 [0,0,1,1,0,0|1,0,1]=4 541 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [0,0,1,1,0,0|2,0,0]=4 542 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [0,0,1,1,0,0|0,0,2]=4 543 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [0,0,1,1,0,0|1,0,1]=4 544 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,0,1,1,0,0|1,0,1]=4 545 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,1]=3 546 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,1]=3 547 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|2,0,0]=4 548 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [1,0,0,1,0,0|1,1,0]=4 549 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|0,0,0]=2 550 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|1,0,0]=3 551 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,1,0,0|1,0,1]=4 552 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|1,0,1]=4 553 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|2,0,0]=4 554 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|1,0,1]=4 555 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|1,0,0]=3 556 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [1,0,0,1,0,0|2,0,0]=4 557 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|0,0,2]=4 558 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|1,0,1]=4 559 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|1,0,0]=3 560 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,1,0,0|2,0,0]=4 561 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,1]=4 562 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 563 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,0]=2 564 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,0]=3 565 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|0,0,1]=3 566 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|1,0,0]=3 567 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|0,1,0]=3 568 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,1,0,0|1,1,0]=4 569 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|1,1,0]=4 570 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|1,1,0]=4 571 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,1,0,0|2,0,0]=4 572 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,0]=3 573 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|0,0,2]=4 574 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|0,0,2]=4 575 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,1]=4 576 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,1]=4 577 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,1]=4 578 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,1]=4 579 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,2]=4 580 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,1]=3 581 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,1]=3 582 B12R2.41 C1=CC2=CC=CC=C2C=CC1 CNP0496294.0 [0,0,0,1,0,1|1,0,1]=4 583 B12R2.41 C1=CC=C2CC=CC=C2C=C1 CNP0563249.0 [0,0,0,1,0,1|1,0,1]=4 584 B12R2.586 OC1=CC=C2C1=CC=CC=C2 CNP0566607.0 [0,0,0,1,0,1|0,0,1]=3 585 B12R2.2017 C1=CC=C2C=CC=CC(=C1)C2 CNP0061663.0 [0,0,0,1,0,1|1,0,1]=4 586 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,1,0,1,0,0|1,0,1]=4 588 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,1,0,1,0,0|1,0,1]=4 589 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [0,1,0,1,0,0|1,0,1]=4 595 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,1,0,1,0,0|1,0,1]=4 596 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [0,1,0,1,0,0|1,0,1]=4 597 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [0,1,0,1,0,0|1,0,1]=4 598 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [0,1,0,1,0,0|1,0,1]=4 599 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,1,0,1,0,0|0,0,2]=4 600 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,1,0,1,0,0|0,0,2]=4 601 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,1,0,1,0,0|0,0,1]=3 602 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,1,0,1,0,0|1,0,1]=4 603 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,1,0,1,0,0|0,0,1]=3 608 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,1,0,1,0,0|0,0,1]=3 609 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|0,0,0]=2 610 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,1,0,1,0,0|1,0,1]=4 612 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,1,0,1,0,0|0,1,1]=4 613 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,1,0,1,0,0|1,0,1]=4 614 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,1,0,0|0,0,2]=4 615 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,1,0,0|0,0,2]=4 616 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,1,0,1,0,0|0,0,1]=3 617 B12R2.2 C1=CC=C(C=C1)C2=CN=CN2 CNP0534648.0 [0,1,0,1,0,0|1,0,1]=4 618 B12R2.2 C1=CC=C(C=C1)C2=CN=CS2 CNP0313698.0 [0,1,0,1,0,0|0,1,1]=4 619 B12R2.2 C1=CC=C(C=C1)C2=COC=C2 CNP0103654.0 [0,1,0,1,0,0|0,0,1]=3 620 B12R2.2 C1=CC=C(C=C1)C2=CON=C2 CNP0452957.0 [0,1,0,1,0,0|1,0,0]=3 621 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,1,0,1,0,0|1,0,1]=4 622 B12R2.1081 C=C1C=C[CH]C2=CC=CC=C12 CNP0546671.0 [0,1,0,1,0,0|1,0,1]=4 623 B12R2.1081 CC1=CC=CC2=CC=CC=C12 CNP0115105.0 [0,1,0,1,0,0|1,0,1]=4 624 B12R2.1081 CC1=CC=CC2=CC=CN=C12 CNP0256900.0 [0,1,0,1,0,0|1,0,1]=4 625 B12R2.1081 CC1=CC=CC2=CN=CC=C12 CNP0132588.0 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.1081 CC1=CC=CC2=NC=CC=C12 CNP0205038.0 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CNP0138798.0 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.1081 CC1=CN=NC2=CC=CC=C12 CNP0290464.0 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.1081 CC1=NC=CC2=CC=CC=C12 CNP0255450.0 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CNP0232039.0 [0,1,0,1,0,0|1,0,1]=4 632 B12R2.1081 NC1=CC=CC2=CN=CC=C12 CNP0491811.0 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CNP0117074.0 [0,1,0,1,0,0|1,0,1]=4 634 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,1,0,1,0,0|0,0,2]=4 635 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,1,0,1,0,0|0,0,1]=3 636 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|0,0,1]=3 639 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,1,0,1,0,0|0,0,2]=4 640 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,1,0,1,0,0|0,0,2]=4 642 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [0,1,0,1,0,0|0,0,1]=3 645 B12R2.1081 OC1=CC=CC2=CC=CN=C12 CNP0302552.0 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.1081 OC1=CC=CC2=CN=CC=C12 CNP0482477.0 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CNP0508656.0 [0,1,0,1,0,0|0,0,1]=3 648 B12R2.1081 OC1=NC=NC2=CC=CC=C12 CNP0201692.0 [0,1,0,1,0,0|1,0,1]=4 649 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|0,0,2]=4 651 B12R2.1081 [CH2]C1=CC=CC2=CC=CC=C12 CNP0547790.0 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 CNP0590286.0 [0,1,0,1,0,0|1,0,1]=4 653 B12R2.2028 C=C1CC(C2=CC=NC=C12)O CNP0199160.0 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|0,0,0]=2 655 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|0,0,0]=2 656 B12R2.2028 CC1C=C(C2=CC=NC=C12)O CNP0075839.0 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|1,0,0]=3 660 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|1,0,0]=3 663 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,1,0,1,0,0|1,0,1]=4 666 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,1,0,1,0,0|1,0,1]=4 669 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,1,0,1,0,0|0,0,2]=4 670 B12R2.32 ON=C1CC2=CC=CC=C2C1 CNP0396553.0 [0,1,0,1,0,0|1,0,1]=4 671 B12R2.612 [O-][N+]1=CC=C2C(=C1)C=CN2O CNP0516601.0 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|0,0,2]=4 675 B12R2.1 N#CC1=CNC2=CC=CC=C12 CNP0266284.0 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.1 NCC1=CNC2=CC=CC=C12 CNP0174270.0 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,1,0,0|0,0,2]=4 678 B12R2.1 OCC1=CC=C2C1=COC=C2 CNP0300361.0 [0,1,0,1,0,0|1,0,0]=3 679 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,1,0,0|0,0,0]=2 680 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,1,0,1,0,0|0,0,2]=4 681 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,1,0,0|0,0,0]=2 682 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,1,0,0|0,0,0]=2 683 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.18 OC1=NC2=CC=CC=C2[C@@H]1O CNP0535565.1 [0,1,0,1,0,0|1,0,0]=3 688 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,1,0,1,0,0|0,0,2]=4 689 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,1,0,1,0,0|0,0,2]=4 690 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,1,0,1,0,0|1,0,0]=3 691 B12R2.2403 CC1(C=NC2=CC=CC=C12)C CNP0037740.0 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,0,0,0,1,0|1,0,0]=3 693 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|1,0,1]=4 694 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|1,0,1]=4 695 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [1,0,0,0,1,0|2,0,0]=4 696 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [1,0,0,0,1,0|2,0,0]=4