0 B10R1.61 B(c1ccccc1N)(O)O WX650019 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.61 B(c1ccccc1O)(O)O WX650052 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.61 B(c1cccnc1Br)(O)O WX654020 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 B(c1cccnc1C)(O)O WX654053 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.61 B(c1cccnc1Cl)(O)O WX654018 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 B(c1ccncc1C)(O)O WX654051 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.61 B(c1cnccc1C)(O)O WX654008 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.61 CC(C)c1c(cccn1)O WX645029 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.61 Cc1c(cccn1)C(=O)O WX614245 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.61 Cc1cccnc1C(=O)O WX619068 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 Cc1ccncc1C(=O)O WX614191 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 Cc1cnccc1C(=O)O WX614130 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] WX637155 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 c1ccc(c(c1)C(=N)N)Cl WX619951 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.61 c1ccc(c(c1)C(=N)N)F WX619904 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.61 c1ccc(c(c1)C(F)F)N WXFC0033 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.61 c1cncc(c1C(=O)O)F WX614062 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] WX636139 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 B(c1cccnc1)(O)O WX654050 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 B(c1ccncc1)(O)O WX654049 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 CC(c1ccccn1)O WX642039 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 CC(c1cccnc1)O WX642141 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 CC(c1ccncc1)O WX642142 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 c1c(cncn1)C(=O)O WX614058 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 c1cc(cnc1)[N+](=O)[O-] WXC00124 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.6 c1ccnc(c1)C(=N)N WX619917 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 c1cnc(nc1)C(=O)O WX614147 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 c1cnccc1C(=N)N WX619915 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.6 c1cncnc1C(=O)O WX614254 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.15 C#Cc1ccccc1F WX685202 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.15 CCc1c(cccn1)O WX649107 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.15 Cc1c(cccn1)CO WX640263 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.15 Cc1cccnc1C=O WX624058 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.15 Cc1cccnc1CO WX640138 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.15 Cc1cnccc1CO WX640116 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.15 c1cc(c(nc1)Br)CO WXC02240 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.15 c1cc(c(nc1)Cl)C=O WX624177 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.15 c1cc(c(nc1)O)C#N WX683506 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.15 c1ccc(c(c1)CN)O WXC02211 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.15 c1ccc(c(c1)CO)I WX640329 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.15 c1cncc(c1Br)CO WX640177 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.15 c1cncc(c1CO)Br WX637213 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.15 c1cncc(c1CO)F WX640299 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.15 c1cncc(c1Cl)C=O WX624176 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.15 c1cncc(c1Cl)CO WX640034 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.15 c1cncc(c1N)C=O WX624056 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.15 c1cncc(c1N)C=O WXC03252 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.53 B(c1ccccc1CBr)(O)O WX650077 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.53 B(c1ccccc1CO)(O)O WX650075 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.53 COc1ccccc1C(=N)N WX619916 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.53 COc1ccccc1C(=N)N WX690199 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.53 COc1cnccc1C(=O)O WX613412 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.87 CC(C)(c1ccccc1Br)O WXC00385 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.87 CP(=O)(C)c1ccccc1N WXC01999 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O WX650003 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.156 CC(=O)c1c(cccc1Br)F WX633079 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.156 CC(=O)c1c(ccnc1Cl)Cl WX636165 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.156 CC(c1c(cccc1F)F)O WX642108 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.156 Cc1cccc(c1[N+](=O)[O-])N WX602176 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.156 Cc1cncc(c1C(=O)O)N WXC01384 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])Cl WXC00639 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl WX614308 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.159 B(c1cccc(c1C)Cl)(O)O WX650020 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.159 B(c1cccc(c1C)F)(O)O WX650018 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.159 C1=CC([N+](=O)C(=C1)C(=O)O)Br WXC03285 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.159 Cc1c(cccc1Br)C(=O)C WXC02293 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.159 Cc1c(ncnc1C(=O)O)C WX614375 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.159 Cn1c(cccc1=O)C(=O)O WXC00223 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.159 Cn1cccc(c1=O)C(=O)O WX614268 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.159 c1c(c(c(cn1)Br)O)[N+](=O)[O-] WX637005 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N WX619947 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.159 c1cc(c(c(c1)F)N)[N+](=O)[O-] WX609165 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.159 c1cc(n(c(=S)c1)O)C(=O)O WXC02677 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl WX614144 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.159 c1cnc(c(c1[N+](=O)[O-])O)Cl WX649017 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.166 B(c1ccc(cc1C)O)(O)O WX654005 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.166 CC(=O)c1ccc(cc1O)Br WX626004 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O WX614340 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.166 Cc1cc(ncc1C(=O)O)N WXC01124 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.166 Cc1ccc(c(c1)F)C(=O)O WX612018 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl WX614282 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl WX614383 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N WX632029 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] WX645001 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.166 c1cc(nc(c1C(=O)N)Cl)Cl WXC03960 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.167 B(c1cc(ccc1Cl)F)(O)O WX650084 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.167 B(c1cc(ccc1O)F)(O)O WX650017 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.167 CC(=O)c1cc(ccc1Br)O WX645034 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.167 CC(=O)c1cc(ccc1F)Br WX626031 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.167 CC(C)c1cc(ccc1O)Br WX633226 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O WX614044 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])C WX609935 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.167 c1c(c(cnc1Br)F)C(=O)O WX614380 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.167 c1c(c(cnc1Cl)Br)C(=O)O WX637100 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O WX614231 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O WXC01548 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.167 c1c(c(cnc1F)F)C(=O)O WXC02149 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.167 c1c(c(cnc1F)N)C(=O)O WX609514 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F WXC03336 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O WX645007 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Br WX645002 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F WX636058 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl WX609483 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.222 CCC(=O)c1ccccc1Br WX626030 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.222 CCC(=O)c1ccccc1Cl WXC00823 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.222 COC(=O)c1ccc[nH]c1=O WX618226 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.222 COC(=O)c1ccncc1Cl WX632025 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.222 COC(=O)c1ccncc1F WXC00989 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.222 COC(=O)c1ccncc1O WX649041 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.222 Cc1ccccc1C(=S)NN WXC00708 [0,1,0,0,0,0|2,1,0]=4 110 B11R1.222 Cc1cccnc1C(=O)OC WX618463 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.222 Cc1cccnc1\C(=N\O)\N WX690152 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.222 c1ccc(c(c1)C(=NO)N)Br WX690159 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl WX631003 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.222 c1ccc(c(c1)C(=O)CCl)N WX631029 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.222 c1ccc(c(c1)C(CN)O)Br WX603077 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.222 c1ccc(c(c1)\C(=N/O)\N)Cl WX690161 [0,1,0,0,0,0|2,0,0]=3 117 B11R2.1 c1cc2c(c(no2)N)nc1 WX609206 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.1 c1cc2c(nc1)C(=O)CC2 WX626094 [0,0,0,1,0,0|3,0,0]=4 119 B11R2.1 c1ccc2c(c1)CCC2O WX649087 [0,0,0,1,0,0|2,0,1]=4 120 B11R2.1 c1ccc2c(c1)CNC2=O WX619030 [0,0,0,1,0,0|2,0,0]=3 121 B11R2.1 c1ccc2c(c1)c(co2)Br WX637107 [0,0,0,1,0,0|2,0,0]=3 122 B11R2.1 c1ccn2c(c1)nnc2O WX645024 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.41 Cc1c([nH]cn1)C(=O)O WX614250 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.41 Cc1c(c[nH]n1)C(=O)O WX613012 [0,0,0,0,1,0|3,0,0]=4 125 B9R1.41 Cc1c(cc[nH]1)C(=O)O WX614100 [0,0,0,0,1,0|2,0,0]=3 126 B9R1.41 Cc1c(con1)C(=O)O WX614141 [0,0,0,0,1,0|3,0,0]=4 127 B9R1.41 Cc1c(ocn1)C(=O)O WX614136 [0,0,0,0,1,0|3,0,0]=4 128 B9R1.41 Cc1c[nH]cc1C(=O)O WX614124 [0,0,0,0,1,0|2,0,0]=3 129 B9R1.41 Cc1cocc1C(=O)O WX613137 [0,0,0,0,1,0|2,0,0]=3 130 B9R1.41 Cc1cscc1C(=O)O WX614279 [0,0,0,0,1,0|2,0,0]=3 131 B9R1.41 Cn1c(ccn1)C(=O)O WX614032 [0,0,0,0,1,0|3,0,0]=4 132 B9R1.41 Cn1ccnc1C(=O)O WX614056 [0,0,0,0,1,0|3,0,0]=4 133 B9R1.41 Cn1cncc1C(=O)O WX614251 [0,0,0,0,1,0|3,0,0]=4 134 B9R1.41 c1c(c([nH]n1)C(=O)O)Cl WX614249 [0,0,0,0,1,0|3,0,0]=4 135 B9R1.41 c1c(c(cs1)Br)C(=O)O WXC02715 [0,0,0,0,1,0|2,0,0]=3 136 B9R1.41 c1coc(c1Br)C(=O)O WX614376 [0,0,0,0,1,0|2,0,0]=3 137 B11R1.86 c1ccn(c(=O)c1)CC(=O)O WX610390 [0,0,0,0,0,1|1,0,1]=3 138 B11R1.86 c1cnc(=O)n(c1)CC(=O)O WXC03415 [0,0,0,0,0,1|2,0,1]=4 139 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl WXC01521 [0,0,0,0,0,1|3,0,0]=4 140 B8R1.2 C=Cc1cccnc1 WX685205 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 c1cc(cnc1)CO WX640285 [2,0,0,0,0,0|1,0,1]=4 142 B8R1.2 c1ccnc(c1)CO WX640282 [2,0,0,0,0,0|1,0,1]=4 143 B8R1.2 c1cnc(cn1)C=O WX624187 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 c1cnccc1CO WX640289 [2,0,0,0,0,0|1,0,1]=4 145 B8R1.5 Cc1c(cccn1)O WX649093 [2,0,0,0,0,0|1,0,1]=4 146 B8R1.5 Cc1ccccc1O WX645081 [2,0,0,0,0,0|0,0,1]=3 147 B8R1.5 Cc1cccnc1O WX649097 [2,0,0,0,0,0|1,0,1]=4 148 B8R1.5 Cc1ccncc1O WX649091 [2,0,0,0,0,0|1,0,1]=4 149 B8R1.5 Cc1cnccc1O WX645018 [2,0,0,0,0,0|1,0,1]=4 150 B8R1.5 c1cncc(c1N)O WX609099 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.5 c1cncc(c1O)N WX609105 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.13 B(c1ccc(cc1)N)(O)O WX650024 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.13 CC(=O)c1ccc(cn1)Br WX619067 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.13 CC(=O)c1ccc(nc1)Cl WX626037 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.13 Cc1ccc(cn1)C(=O)O WX614214 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.13 Cc1ccc(nc1)C(=O)O WX614117 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.13 c1c(cnc(n1)C(=O)O)Br WX614067 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.13 c1c(cnc(n1)C(=O)O)Cl WX614088 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.13 c1cc(ccc1C(=N)N)Br WX684427 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.13 c1cc(ccc1C(=N)N)Br WX690071 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.13 c1cc(ccc1C(=O)N)N WXC02462 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.13 c1cc(ncc1O)C(=O)O WX614146 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.13 c1cc(nnc1C(=O)O)O WX614045 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.15 COC(=O)c1ccncn1 WX618355 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.15 COC(=O)c1ncccn1 WXC01002 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.15 c1ccc(cc1)C(=S)NN WXC00705 [1,1,0,0,0,0|1,1,0]=4 169 B10R1.15 c1ccc(cc1)\C(=N\O)\N WX690132 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.15 c1ccnc(c1)C(=O)CBr WX631026 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.15 c1cnccc1C(=O)CBr WX631022 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 CC(=O)c1cc(ccn1)Br WXC02208 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.113 CC(=O)c1cc(ccn1)Cl WX636192 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.113 CC(=O)c1cc(cnc1)Br WX637241 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.113 CC(=O)c1cccc(n1)Br WX624141 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.113 CC(=O)c1ccnc(c1)Cl WX636120 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.113 Cc1cc(cnc1)C(=O)N WX619274 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.113 Cc1cc(cnc1)C(=O)O WX614246 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.113 Cc1cccc(n1)C(=O)O WX614192 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.113 Cc1ccnc(c1)C(=O)O WX614114 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.113 Cc1nccc(n1)C(=O)O WX614004 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.113 c1c(cncc1Cl)C(=O)O WX614059 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.113 c1c(cncc1F)C(=O)N WXC01409 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.113 c1c(cncc1F)C(=O)O WX614202 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.113 c1c(cnnc1Cl)C(=O)O WXC00935 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.113 c1c(nc(cn1)Cl)C(=O)O WX614271 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.113 c1c(ncnc1O)C(=O)O WX614294 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.113 c1cc(cc(c1)Cl)C(=S)N WX619930 [1,1,0,0,0,0|1,1,0]=4 192 B10R1.113 c1cc(nc(c1)Cl)C(=O)O WX614070 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.113 c1cnc(cc1Br)C(=O)O WX614145 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.113 c1cnc(cc1C(=O)O)F WX614285 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.2 COc1cccc(c1O)F WX645094 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.2 Cc1c(cccc1Br)CO WXC02559 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.2 c1cc(c(c(c1)Br)F)C=O WXC01703 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.2 c1cc(c(c(c1)Br)F)CO WXC00439 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.2 c1cc(c(c(c1)F)N)C=O WXC02100 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.2 c1cc(c(c(c1)F)N)CO WXC02099 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.4 Cc1ccccc1NC=O WXC00961 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.4 c1ccc(c(c1)NC=O)Br WXC04003 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.4 c1ccc(c(c1)\C=N\O)Br WX633099 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.20 COc1ccccc1NN WX684227 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.20 c1ccc(c(c1)CO)CF WX640195 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.25 COc1ccc(cc1O)O WX645051 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.25 Cc1c(ccc(n1)Cl)C=O WX624065 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.25 Cc1cc(ncc1C=O)Cl WX624064 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.25 c1c(c(cnc1Cl)C=O)Cl WXC01807 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.25 c1cc(c(cc1Br)O)C=O WX622075 [1,1,0,0,0,0|0,0,0]=2 211 B10R1.25 c1cc(c(cc1Br)O)CO WXC01145 [1,1,0,0,0,0|0,0,1]=3 212 B10R1.25 c1cc(c(cc1F)F)C=O WXC00153 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [1,1,0,0,0,0|0,0,0]=2 214 B10R1.25 c1cc(c(cc1O)Br)C=O WX622017 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.25 c1cc(nc(c1C=O)F)Cl WX636267 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.30 CCc1cc(ccc1O)F WX645008 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.30 Cc1ccc(c(c1)C=O)Br WX622040 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.30 Cc1ccc(c(n1)C=O)O WXC01810 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.30 Cc1ccc(c(n1)CO)O WX640367 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.30 c1cc(c(cc1Br)CO)O WXC01146 [1,1,0,0,0,0|0,0,1]=3 221 B10R1.30 c1cc(c(cc1Cl)C=O)Cl WXC00108 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.245 COc1c(cccc1Br)O WXC02342 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.245 c1cc(c(c(c1)Br)C=O)F WX642107 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.245 c1cc(c(c(c1)Br)CO)F WX640088 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.245 c1cnc(c(c1I)C=O)Cl WXC01649 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.245 c1cnc(c(c1I)C=O)F WX624106 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.39 COc1cscc1C(=O)O WX614134 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.59 Cc1c(cc(s1)Br)C(=O)O WXC01808 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.59 Cn1cc(cc1C(=O)O)F WX613775 [0,1,0,0,1,0|2,0,0]=4 230 B10R1.59 c1c(c(sc1Br)C(=O)O)Br WX614076 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.149 COC(=O)c1c(cc[nH]1)Br WXC01617 [0,1,0,0,1,0|2,0,0]=4 232 B10R1.149 Cc1cc[nH]c1C(=O)OC WX618007 [0,1,0,0,1,0|2,0,0]=4 233 B10R1.194 Cc1c(scc1C(=O)O)C WX614379 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.75 COc1c(cccn1)CC(=O)O WX613443 [0,1,0,0,0,1|1,0,0]=3 235 B12R1.75 c1ccc(c(c1)CC(=O)O)CBr WX610189 [0,1,0,0,0,1|1,0,0]=3 236 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)Cl WX610225 [0,1,0,0,0,1|1,0,0]=3 237 B12R1.233 CC(=O)Nc1ccc(cc1I)Br WX634026 [0,1,0,0,0,1|2,0,0]=4 238 B12R1.233 Cc1cc(ccc1CC(=O)O)N WX610079 [0,1,0,0,0,1|1,0,0]=3 239 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl WXC00307 [0,1,0,0,0,1|2,0,0]=4 240 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C WXC01838 [0,1,0,0,0,1|2,0,0]=4 241 B12R1.371 CNC(=O)Cc1ccccc1Br WX633083 [0,1,0,0,0,1|2,0,0]=4 242 B12R1.371 CNC(=O)Cc1ccccc1Cl WXC00239 [0,1,0,0,0,1|2,0,0]=4 243 B12R1.371 COC(=O)Cc1ccccc1N WX602188 [0,1,0,0,0,1|1,0,0]=3 244 B12R1.371 Cc1ccccc1C\C(=N/O)\N WX690166 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.371 Cc1ccccc1NC(=O)CCl WX630229 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.371 c1ccc(c(c1)C\C(=N/O)\N)Br WX690179 [0,1,0,0,0,1|2,0,0]=4 247 B12R1.371 c1ccc(c(c1)NC(=O)CBr)F WX631028 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.46 COc1ccc(cc1C(=O)O)Br WX612003 [0,2,0,0,0,0|0,0,0]=2 249 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I WXC01959 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.57 B(c1ccc(cc1OC)F)(O)O WXC03636 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.57 COc1cc(ccc1[N+](=O)[O-])O WX645045 [0,2,0,0,0,0|1,0,1]=4 252 B12R1.57 COc1cc(ncc1C(=O)O)Cl WX614012 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] WX609902 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.77 COC(=O)c1c(cccn1)CBr WX630328 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.77 COC(=O)c1cccnc1C#N WX618549 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.77 COc1ccccc1\C(=N\O)\N WX690155 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.77 COc1cccnc1C(=O)OC WXC01491 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.77 COc1ccncc1C(=O)OC WXC00990 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.261 B(c1ccccc1C(=O)O)(O)O WX650054 [0,2,0,0,0,0|0,0,0]=2 260 B12R1.261 c1cc(c(nc1)C(=O)N)C(=O)O WX612185 [0,2,0,0,0,0|1,0,1]=4 261 B12R1.283 B(c1ccccc1COC)(O)O WX650015 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.283 c1ccc(c(c1)CC#N)C(=O)O WX612094 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.437 COc1cccc(c1[N+](=O)[O-])F WX635021 [0,2,0,0,0,0|1,0,1]=4 264 B12R1.894 Cc1ccc(c(c1C(=O)O)N)F WX612153 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F WXC02290 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])F)F WXC00452 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.3441 COC(=O)c1c(cccc1Br)N WX618009 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.3441 COC(=O)c1c(cccc1F)F WXC01350 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.3441 Cc1cccc(c1C(=O)OC)I WX634009 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.24 CCC(=O)c1cccc(c1C)F WXC00217 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.24 Cc1c(cccc1I)C(=O)OC WX618129 [0,2,0,0,0,0|1,0,0]=3 272 B12R1.24 Cc1c(cccc1O)C(=O)OC WXC02365 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.24 Cc1c(ccnc1C(=O)OC)Br WXC02580 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.24 Cc1cccc(c1C)\C(=N/O)\N WX690165 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.24 Cc1cccc(c1N)C(=O)OC WXC02674 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.440 CNc1cccc(c1O)C(=O)O WXC01230 [0,2,0,0,0,0|0,0,0]=2 277 B12R1.440 COc1cccc(c1F)C(=O)O WX612106 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.511 Cc1cc(cc(c1N)C(=O)O)Cl WX612129 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Br)F WXC02534 [0,2,0,0,0,0|1,0,1]=4 280 B12R1.893 Cc1ccc(c(c1I)F)C(=O)O WXC02082 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F WXC02103 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.232 Cc1cc(c(cc1C(=O)O)N)Br WX603151 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O WX614054 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.232 c1c(c(cc(c1Cl)O)O)C(=O)O WX612073 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.232 c1c(c(nc(c1F)N)Cl)C(=O)O WXC02109 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O WXC02421 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.452 c1cc(c(cc1C#N)O)[N+](=O)[O-] WXC01128 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.1703 CCC(=O)c1ccc(cc1F)Br WX633145 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.1703 COC(=O)c1ccc(cc1Br)Br WX633104 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.1703 COC(=O)c1ccc(cc1Cl)N WX602016 [0,2,0,0,0,0|1,0,0]=3 291 B12R1.1703 COC(=O)c1ccc(cc1F)Br WX633100 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.1703 COC(=O)c1ccc(cc1N)F WXC00605 [0,2,0,0,0,0|1,0,0]=3 293 B12R1.1703 COC(=O)c1ccc(cc1O)Cl WX618314 [0,2,0,0,0,0|0,0,0]=2 294 B12R1.1703 COC(=O)c1ccc(nc1N)Cl WXC02573 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.1703 COC(=O)c1cnc(cc1N)Cl WXC00308 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br WX633105 [0,2,0,0,0,0|1,0,0]=3 297 B12R1.1703 Cc1cc(ccc1C(=O)OC)O WXC01025 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.1703 Cc1cc(ccc1\C(=N\O)\N)Cl WX619921 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br WX637097 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.1703 Cc1cc(cnc1C(=O)O[Na])Br WXC02912 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.354 CCC(=O)c1cc(ccc1O)Cl WX632004 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.354 COC(=O)c1cc(ccc1Br)F WX633146 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.354 COC(=O)c1cc(ccc1F)N WXC02806 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.354 COC(=O)c1cc(ccc1O)Br WX645042 [0,2,0,0,0,0|0,0,0]=2 305 B12R1.354 COC(=O)c1cc(cnc1Cl)I WX636020 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.354 COC(=O)c1cc(cnc1O)I WX638009 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.354 COC(=O)c1cc(ncc1Br)Cl WX637101 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.354 Cc1ccc(cc1C(=O)NN)Br WXC01160 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.354 Cc1ccc(cc1C(=O)OC)O WX645023 [0,2,0,0,0,0|1,0,0]=3 310 B12R1.453 COc1cc(c(cn1)F)C(=O)O WXC02148 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl WX612013 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.453 Cc1ccc(cc1C(=O)O)OC WXC03716 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.453 c1cc(c(cc1C#N)C(=O)O)I WX612027 [0,2,0,0,0,0|1,0,0]=3 314 B12R1.453 c1cc(c(cc1C=O)C(=O)O)F WX610325 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.453 c1cc(c(cc1CBr)C(=O)O)Br WXC01974 [0,2,0,0,0,0|1,0,0]=3 316 B12R1.308 CCNC(=O)c1ccccc1Br WX633149 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.308 CCNC(=O)c1ccccc1O WX645076 [0,2,0,0,0,0|1,0,0]=3 318 B12R1.308 CCOC(=O)c1cnccc1C WX618177 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.66 c1cc(oc1)\C=C\C(=O)O WXC01781 [0,0,1,1,0,0|0,0,0]=2 320 B10R1.66 c1cc(oc1)\C=C\[N+](=O)[O-] WXC00050 [0,0,1,1,0,0|1,0,1]=4 321 B10R1.66 c1cc(sc1)\C=C\C(=O)O WX610235 [0,0,1,1,0,0|0,1,0]=3 322 B10R1.66 c1cscc1\C=C\C(=O)O WX614386 [0,0,1,1,0,0|2,0,0]=4 323 B12R2.24 c1ccc2c(c1)CC(=O)OC2 WX690066 [0,0,0,1,0,1|1,0,0]=3 324 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,0,0,1,0,1|2,0,0]=4 325 B12R2.24 c1ccc2c(c1)NCC(=O)N2 WX602060 [0,0,0,1,0,1|2,0,0]=4 326 B12R2.24 c1ccc2cnc(cc2c1)O WX622020 [0,0,0,1,0,1|2,0,0]=4 327 B12R2.202 Cc1[nH]c2cccc(c2n1)O WX649076 [0,0,0,1,0,1|2,0,0]=4 328 B12R2.202 Cc1cc2c([nH]1)cccc2O WX649002 [0,0,0,1,0,1|2,0,0]=4 329 B12R2.202 c1cc(c2c(c1)sc(n2)N)O WX609082 [0,0,0,1,0,1|1,1,0]=4 330 B12R2.202 c1cc(c2c(c1)sc(n2)N)O WX609508 [0,0,0,1,0,1|1,1,0]=4 331 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 WX633088 [0,0,0,1,0,1|2,0,0]=4 332 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 WX633048 [0,0,0,1,0,1|2,0,0]=4 333 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 WXFC0192 [0,0,0,1,0,1|2,0,0]=4 334 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 WX604538 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.2028 C[C@@H]1c2ccccc2C(=O)N1 WX619181 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.203 Cc1c[nH]c2c1c(ccc2)O WX645026 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 WX633054 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.196 c1cc2c(c(c1)Br)CCC2=O WX633095 [0,1,0,1,0,0|2,0,0]=4 339 B12R2.196 c1cc2c(c(c1)Br)CNC2=O WX633211 [0,1,0,1,0,0|2,0,0]=4 340 B12R2.196 c1cc2c(c(c1)N)CNC2=O WX602093 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.612 c1cc2c(cc1Br)CNC2=O WX633084 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.612 c1cc2c(cc1Br)onc2N WX609288 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.132 c1cc2c(cc1N)C(=O)NC2 WX602200 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.132 c1cc2c(cc1N)C(=O)OC2 WX602074 [0,1,0,1,0,0|1,0,0]=3 345 B12R2.1 c1ccc/2c(c1)CC\C2=N/O WX690241 [0,1,0,1,0,0|2,0,0]=4 346 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O WX624002 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO WX640278 [0,1,0,1,0,0|2,0,0]=4 348 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O WX624131 [0,1,0,1,0,0|2,0,0]=4 349 B12R2.1 c1ccc2c(c1)c(no2)CBr WX630337 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.7 c1c(cn[nH]1)C(=O)O WX614069 [1,0,0,0,1,0|2,0,0]=4 351 B8R1.7 c1c(con1)C(=O)O WX614066 [1,0,0,0,1,0|2,0,0]=4 352 B8R1.7 c1c(nc[nH]1)C(=O)O WX614057 [1,0,0,0,1,0|2,0,0]=4 353 B8R1.7 c1c(nco1)C(=O)O WX614087 [1,0,0,0,1,0|2,0,0]=4 354 B8R1.7 c1c(scn1)C(=O)O WX614255 [1,0,0,0,1,0|2,0,0]=4 355 B8R1.7 c1c[nH]cc1C(=O)O WX614253 [1,0,0,0,1,0|1,0,0]=3 356 B8R1.7 c1c[nH]nc1C(=O)O WX614216 [1,0,0,0,1,0|2,0,0]=4 357 B8R1.7 c1cn[nH]c1C(=O)O WX614248 [1,0,0,0,1,0|2,0,0]=4 358 B8R1.7 c1cnc([nH]1)C(=O)O WX614140 [1,0,0,0,1,0|2,0,0]=4 359 B12R1.125 CC(=O)SCc1ccccc1Cl WXC01340 [0,0,0,0,0,2|2,0,0]=4 360 B12R1.125 Cc1c(cccn1)CCC(=O)O WX613463 [0,0,0,0,0,2|2,0,0]=4 361 B12R1.125 Cc1cccnc1CCC(=O)O WX613467 [0,0,0,0,0,2|2,0,0]=4 362 B12R1.125 Cc1ccncc1CCC(=O)O WX613471 [0,0,0,0,0,2|2,0,0]=4 363 B12R1.125 Cc1cnccc1CCC(=O)O WX613468 [0,0,0,0,0,2|2,0,0]=4 364 B12R1.125 c1ccc(c(c1)CCC(=O)O)F WXC03386 [0,0,0,0,0,2|1,0,0]=3