0 B11R1.280 CCc1cc(ccc1Br)OC WX633194 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.280 COc1ccc(c(c1)C=O)Cl WX622079 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.280 COc1ccc(c(c1)CBr)Cl WX630237 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.280 COc1ccc(c(c1)CBr)F WX630203 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.280 Cc1ccc(nc1NC)CN WX603138 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.30 CCc1cc(ccc1Br)O WX633044 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 CCc1cc(ccc1O)F WX645008 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.30 COc1c(ccc(n1)Br)N WX609220 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.30 COc1cc(cnc1Cl)Br WX637391 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.30 COc1cc(ncc1Br)N WXC01994 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.30 Cc1ccc(c(c1)C=O)Br WX622040 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.30 Cc1ccc(c(c1)OC)Cl WX632007 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.30 Cc1ccc(c(n1)C=O)O WXC01810 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.30 Cc1ccc(c(n1)CO)O WX640367 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.30 c1cc(c(cc1Br)CO)O WXC01146 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.172 COc1cc(ccn1)C#N WX683548 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.172 COc1cc(ccn1)C=O WX622010 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.172 COc1cc(ccn1)CN WX603011 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.172 COc1cc(ccn1)CO WX640064 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.172 COc1cc(cnc1)C=O WX624057 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.172 COc1cccc(c1)C#C WX685201 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.172 COc1cccc(n1)C#C WX686201 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.172 COc1ccnc(c1)C#N WX683556 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.172 c1cc(cc(c1)C#N)CN WX603070 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.176 Cc1ccc(cc1C)CN WX603058 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.176 Cc1ccc(cc1C)CN WX603165 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.176 c1cc(c(cc1C=O)F)O WX624053 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.176 c1cc(c(cc1CN)F)Cl WX603025 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.56 COc1cc(ccc1Cl)C(=O)O WX612010 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] WX649073 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.78 CCc1cc(ccc1CO)C#N WX640155 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.78 COc1cc(cnc1OC)C=O WX624212 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.270 COc1ccc(c(c1)CCN)Br WX609536 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.300 COc1cc(cc(c1O)F)C=O WX622089 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.449 COc1cc(c(cc1Cl)F)C=O WX622066 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.654 COc1c(ccc(c1F)C=O)Cl WX622071 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.44 CCc1ccc2c(c1)cc[nH]2 WX690015 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.44 CCc1ccc2cc[nH]c2c1 WX690029 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.44 c1cc2c(cc1CBr)CCC2 WX630246 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.44 c1cc2c(cc1CN)CCC2 WX603098 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.44 c1cc2c(cc1CO)CCO2 WX640273 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.44 c1cc2c(cc1CO)OCO2 WX640280 [0,0,0,1,0,0|1,0,0]=2 43 B9R1.2 CCc1nccc(n1)O WXC04103 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.2 COc1cc(ccn1)Br WX637041 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 COc1cc(ccn1)Cl WX636220 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.2 COc1cc(ccn1)O WX645099 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.2 COc1cccc(n1)I WXC00054 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.2 COc1ccnc(c1)N WX609515 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.2 Cc1cc(ccn1)CN WX609039 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.2 Cc1cc(cnc1)CN WX603037 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.2 Cc1cc(cnc1)CN WX603115 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.2 Cc1cc(cnc1)CO WX640286 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.2 Cc1cccc(n1)CCl WX630176 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.2 Cc1cccc(n1)CN WX609028 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.2 Cc1ccnc(c1)CN WX603045 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 CCc1c(cccn1)O WX649107 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.15 COc1c(cccn1)Br WX637046 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.15 COc1ccncc1Br WX637275 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 c1ccc(c(c1)CN)O WXC02211 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.69 Cc1c(cnc(n1)C)O WX649102 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.69 Cc1cc(c(nc1)I)C WX638014 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.69 Cc1ccc(c(n1)C)O WX649106 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.69 c1cc(c(cc1Cl)O)I WX634028 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.69 c1cc(c(cc1O)O)N WX602111 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 CCc1ccc(nc1)Cl WX636306 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 CNc1ccc(cc1)Br WXC02256 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 c1cc(ccc1CF)Br WX630205 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.8 COc1cc(cc(c1N)Br)F WXC01320 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.8 Cc1cc(c(c(c1)C=O)O)C WX622085 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.8 Cc1cc(cc(c1I)OC)Cl WX634017 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.37 COc1cc(ccc1C#N)Br WX633093 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.37 COc1cc(ccc1SC)N WX602203 [1,1,0,0,0,0|1,1,0]=4 73 B11R1.37 COc1cc(cnc1OC)Br WX637392 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.37 COc1ccc(nc1OC)N WX609238 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.37 Cc1ccc(c(c1)C#N)OC WX683303 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.167 CC(C)c1cc(ccc1O)Br WX633226 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.9 CCc1cc(cc(n1)CC)Br WX637028 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.189 COc1cc(ccn1)CCN WX607121 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.189 COc1cc(cnc1)CCN WX607135 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.189 COc1cccc(n1)CC#N WX683016 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.189 COc1cccc(n1)CCN WX607112 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.189 c1cc(cc(c1)C#N)CCN WX600142 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.189 c1cc(cc(c1)C#N)CCO WX640156 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.266 CC(=O)c1cccc(c1)CBr WX630200 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.266 CN(C)c1cccc(c1)CN WX603059 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.267 COc1cccc(c1F)CBr WX630233 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.267 COc1cccc(c1I)OC WXC00986 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.267 Cc1c(cccc1OC)CO WX640354 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N WX603189 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.192 Cc1cc(ccc1O)SC#N WX690009 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.278 Cc1c(c(ccc1C#N)O)C WX683308 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.278 Cc1c(ccc(c1O)C=O)O WXC01854 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.279 Cc1cc(cnc1OC)CO WX640343 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.49 CCc1cc(ccc1O)C(=O)OC WX645073 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.49 COc1cc(ccc1N)C(=O)OC WXC01902 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.99 CCc1ccc(c(c1)CC)C(=O)O WXC02640 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.434 COc1cc(c(c(c1)Br)C=O)OC WX622091 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.434 COc1cc(cc(c1OC)Br)C=O WX622033 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.434 COc1cc(cc(c1OC)F)C=O WXFC0166 [0,2,0,0,0,0|1,0,1]=4 100 B13R1.2200 COc1cc(c(cc1OC)OC)O WXC03699 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.2431 COc1ccc(c(c1)C(=O)OC)Br WXC03334 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.2431 COc1ccc(c(c1)C(=O)OC)N WX602026 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.425 COc1cc(c(c(c1F)N)F)OC WX602104 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.98 CC(C)(c1cc(ccc1O)OC)O WX645082 [0,2,0,0,0,0|2,0,0]=4 105 B11R2.36 Cc1ccc2c(c1)NCC2 WX604533 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.430 CC(c1ccc2c(c1)OCO2)O WX642068 [0,1,0,1,0,0|0,0,0]=2 107 B13R2.57 c1cc2c(cc1CN)OCCO2 WX609019 [0,1,0,1,0,0|1,0,0]=3 108 B13R2.57 c1cc2c(cc1CO)NCCO2 WX640269 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.57 c1cc2c(cc1CO)OCCO2 WX640375 [0,1,0,1,0,0|1,0,0]=3 110 B13R2.449 c1cc2c(cco2)cc1CCCl WX630258 [0,1,0,1,0,0|1,0,1]=4 111 B13R2.449 c1cc2c(cco2)cc1CCO WX640319 [0,1,0,1,0,0|1,0,1]=4 112 B13R2.599 c1c(c(cc2c1OCO2)Cl)CO WX640281 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.654 c1c(cc(c2c1OCO2)Br)C=O WX622056 [0,1,0,1,0,0|1,0,1]=4 114 B13R2.654 c1c(cc(c2c1OCO2)Cl)CO WX640129 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.265 COc1c(ccnc1OC)O WX649117 [0,0,0,0,1,1|1,0,0]=3 116 B11R1.265 COc1cccc(c1OC)I WX634018 [0,0,0,0,1,1|2,0,0]=4 117 B11R1.265 COc1cccc(c1OC)N WX602075 [0,0,0,0,1,1|2,0,0]=4