0 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.83 CCCc1ccc(cn1)C#N AB28605 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.83 CCOc1ccc(cn1)C#C AB68996 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.83 CCOc1ccc(cn1)CCl AB59947 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.83 c1c(cnc(n1)CCN)C=O AB63291 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.83 c1cc(ccc1C=O)N=C=O AB74254 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.1 CCNc1ccc(cn1)Br AB51199 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.1 CCOc1ccc(nn1)Cl MB01118 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 CCOc1cnc(cn1)Br AB51350 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.1 CCOc1cnc(nc1)Br PB31743 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.1 CCOc1cnc(nc1)Cl PB17760 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.1 CCOc1ncc(cn1)Br AB41256 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.1 CCOc1ncc(cn1)N AB58985 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [1,0,0,0,0,0|0,0,2]=3 27 B10R1.3 CCc1ccc(cc1)NN AB10141 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.3 CCc1ccc(nc1)CCl AB60001 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.3 CNc1ccc(nc1)OC AB60608 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.3 CNc1ncc(cn1)C=O AB30585 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.3 COc1ccc(cc1)NN AB11940 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.3 COc1ccc(cn1)C#C PB23831 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.3 COc1ccc(cn1)C#N AB03173 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.3 COc1ccc(cn1)CN PB34107 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.3 COc1ccc(cn1)CO PB17339 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.3 COc1ccc(cn1)NN AB50207 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.3 COc1ccc(nc1)C#C AB68974 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.3 COc1ccc(nc1)C#N PB32629 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.3 COc1ccc(nc1)C=O PB17495 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 COc1ccc(nc1)CN AB59858 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.3 COc1ccc(nc1)CO PB32580 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.3 COc1ccc(nn1)C=O AB61123 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.3 COc1cnc(cn1)C=O AB60467 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 COc1cnc(nc1)C=O AB59742 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.3 COc1ncc(cn1)C=O AB15446 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.3 CSc1ccc(cc1)CCl AB05549 [1,0,0,0,0,0|1,1,1]=4 52 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,0,0,0,0,0|0,1,2]=4 53 B10R1.3 CSc1ncc(cn1)C=O PB17314 [1,0,0,0,0,0|2,1,0]=4 54 B10R1.3 c1c(cnc(n1)CCl)C=O AB59413 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 c1c(cnc(n1)CN)C=O AB63214 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.3 c1cc(ccc1CN)CO AB23442 [1,0,0,0,0,0|1,0,2]=4 57 B10R1.3 c1cc(ncc1C#N)C=O AB67705 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 c1cc(ncc1C=O)C#N AB66011 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [1,0,0,0,0,0|2,0,0]=3 61 B12R1.4 CC(C)Cc1cnc(cn1)C=O AB73114 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.5 COC(=N)c1ccc(cc1)C=O AB60994 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.5 COC(=O)c1ccc(cn1)C=O AB63118 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.5 COC(=O)c1ccc(nc1)C=O AB44523 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.71 CCc1ccc(cc1)CCCN AB38698 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.71 c1cc(ccc1C=O)OCCCl AB01954 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.113 B(c1ccc(cc1)CCC)(O)O AB07462 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.113 B(c1ccc(cc1)OCC)(O)O AB06924 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.113 B(c1ccc(cc1)SCC)(O)O AB08647 [0,1,0,0,0,0|1,1,1]=4 77 B12R1.113 B(c1ccc(nc1)OCC)(O)O AB23096 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.113 CC(=O)c1ccc(cc1)CC#C AB73223 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] AB09600 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.114 CCOc1c(cc(cn1)C=O)F AB40831 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.116 CCOc1ccc(cn1)N=C=O AB74224 [0,1,0,0,0,0|1,0,1]=3 82 B12R2.9 c1c(ncc(n1)C2CC2)C=O AB73134 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.9 c1cc(ncc1C=O)C2CC2 AB71851 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.44 C#Cc1ccc2c(c1)OCO2 AB42394 [0,0,0,1,0,0|2,0,1]=4 85 B12R2.44 c1c(cnc2=NCC=c21)C=O PB31050 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.44 c1c(cnc2c1CCN2)C=O AB26247 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.44 c1c(cnc2c1OCO2)C=O AB66663 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.44 c1c2=CCN=c2cnc1C=O AB59848 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.44 c1c2c(cnc1C=O)N=NC2 AB66621 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.44 c1cc2c(cc1C#N)CCN2 MB04564 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,0,0,1,0,0|0,0,0]=1 93 B12R2.44 c1cc2c(cc1C=O)cno2 AB70274 [0,0,0,1,0,0|1,0,1]=3 94 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,0,0,1,0,0|1,0,1]=3 95 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,0,0,1,0,0|0,0,2]=3 96 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,0,0,1,0,0|0,1,2]=4 97 B9R1.1 CCc1ccc(cn1)N AB63590 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 CCc1ccc(cn1)O MB03842 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.1 CCc1ccc(nc1)Br MB10294 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [2,0,0,0,0,0|1,0,1]=4 102 B9R1.1 COc1ccc(cn1)Br AB08771 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 COc1ccc(cn1)Cl AB23682 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 COc1ccc(cn1)F AB13611 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.1 COc1ccc(cn1)N PB27370 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.1 COc1ccc(cn1)O CB10969 [2,0,0,0,0,0|1,0,1]=4 107 B9R1.1 COc1ccc(nc1)Br PB22062 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.1 COc1ccc(nc1)Cl AB25956 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.1 COc1ccc(nc1)F AB66773 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 COc1ccc(nc1)I AB11726 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.1 COc1ccc(nc1)N PB14487 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.1 Cc1ccc(cn1)C=C PB17233 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.1 Cc1ccc(cn1)C=O PB17503 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|1,0,1]=4 115 B9R1.1 Cc1ccc(nc1)C=O AB31466 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.1 Cc1ccc(nn1)C=O AB44106 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 Cc1cnc(cn1)C=O PB23818 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.1 Cc1cnc(nc1)C=O PB31489 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 Cc1ncc(cn1)C=O PB13046 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.1 c1cc(ccc1CBr)Br AB00113 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,1]=4 125 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,1]=4 126 B9R1.1 c1cc(ncc1Br)C=O PB30785 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.1 c1cc(ncc1C=O)Br PB27654 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.1 c1cc(ncc1C=O)F PB23560 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.1 c1cc(ncc1C=O)N PB19003 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.1 c1cc(ncc1F)C=O AB42648 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.1 c1cc(ncc1N)C=O AB67740 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.1 c1cc(ncc1O)C=O AB59867 [2,0,0,0,0,0|1,0,0]=3 135 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.1 c1cc(ccc1OCC#N)Cl PB28971 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [1,1,0,0,0,0|0,0,1]=3 152 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.81 CCOc1c(cc(cn1)Br)F AB40985 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.81 CCOc1c(cc(cn1)Br)I AB31057 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.81 CCOc1c(cc(cn1)Br)N AB40966 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.81 CCOc1c(cc(cn1)Cl)F AB41060 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.81 CCOc1c(cc(cn1)Cl)N AB41041 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.81 CCOc1c(cc(cn1)N)F AB40828 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.192 CCOc1cc(c(cn1)N)N AB66694 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.3 B(c1ccc(cc1)C=O)(O)O AB03995 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.3 B(c1ccc(cc1)CC)(O)O AB07463 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [1,1,0,0,0,0|0,0,2]=4 176 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.3 CC(C)c1cnc(cn1)C=O AB73119 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.3 CC(C)c1ncc(cn1)C=O AB30578 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.3 CC(c1ncc(cn1)C=O)N AB63229 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [1,1,0,0,0,0|0,1,0]=3 184 B11R1.3 CCc1ccc(cn1)[N+](=O)[O-] PB20052 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.3 CN(C)c1ccc(cn1)C=O AB44362 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.3 CN(C)c1ccc(nc1)C=O AB73189 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [1,1,0,0,0,0|0,0,0]=2 189 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [1,1,0,0,0,0|0,1,0]=3 190 B11R1.3 COc1ccc(cn1)C(=N)N MB05831 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] AB00668 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.3 c1cc(ccc1C=O)C(=N)N AB11535 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.3 c1cc(ncc1C(F)F)C=O AB74732 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.3 c1cc(ncc1C=O)C(F)F AB74731 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.279 CCc1ccc(cc1O)C#N MB23779 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.279 CCc1ccc(cc1O)CN MB23838 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.279 CCc1ccc(cc1O)NC MB23855 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.279 CCc1ccc(cc1O)OC MB04144 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.279 CCc1ccc(cc1O)SC MB23989 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.279 CNc1ccc(cc1O)OC MB36336 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.279 COc1c(cc(cn1)C=O)Br AB70947 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.279 COc1c(cc(cn1)C=O)Cl AB20954 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.279 COc1c(cc(cn1)C=O)F AB17649 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.279 COc1cc(c(cn1)C=O)Br AB67009 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.279 COc1cc(c(cn1)C=O)Cl AB66998 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.279 COc1cc(c(cn1)C=O)N AB83675 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.279 COc1cc(c(cn1)C=O)O AB74871 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.279 COc1cc(c(nc1)C=O)N AB83737 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.279 COc1cc(c(nc1)C=O)O AB84580 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.279 COc1ccc(c(c1)Br)C#N MB06936 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.279 COc1ccc(c(c1)F)CBr AB50043 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.279 COc1ccc(c(c1)F)CN AB20685 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.279 COc1ccc(c(c1)F)CO AB20682 [1,1,0,0,0,0|0,0,2]=4 230 B11R1.279 COc1ccc(c(c1)N)C#N AB21542 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [1,1,0,0,0,0|0,0,0]=2 232 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.279 COc1ccc(c(n1)Br)C=O AB68201 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.279 COc1ccc(c(n1)Cl)C=O AB59889 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.279 COc1ccc(c(n1)F)C=O AB71338 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.279 COc1ccc(c(n1)N)C=O AB76143 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.279 COc1ccc(c(n1)O)C=O AB84537 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.279 COc1ccc(cc1Br)C#N AB03835 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.279 COc1ccc(cc1F)C#N AB04880 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.279 COc1ccc(cc1O)C#N MB02393 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.279 COc1ccc(cc1O)SC MB37214 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.279 COc1cnc(c(n1)Cl)C=O AB60389 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.279 COc1cnc(cc1Cl)C=O AB67540 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.279 COc1ncc(c(n1)N)C=O AB42558 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [1,1,0,0,0,0|0,1,0]=3 250 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [1,1,0,0,0,0|0,1,0]=3 251 B11R1.279 Cc1c(ncc(n1)OC)C=O AB85667 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.279 c1c(cnc(c1O)C=O)CCl AB84592 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.279 c1c(ncc(c1O)C=O)CCl AB84446 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.279 c1cc(c(cc1C#N)F)C=O AB32080 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.279 c1cc(c(cc1C=O)F)C#N AB28328 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.279 c1cc(c(nc1CCl)O)C=O AB84549 [1,1,0,0,0,0|2,0,0]=4 262 B13R1.4 CC(C)(C)Oc1ccc(cc1)C#N AB14659 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.4 CC(C)(C)Oc1ccc(cc1)CN AB23467 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.4 CC(C)(C)Oc1ccc(cc1)CO AB03109 [0,2,0,0,0,0|0,0,2]=4 265 B13R1.4 c1cc(ccc1CC(F)(F)F)C=O AB76687 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.5 CC(CN)Oc1ccc(cc1)OC AB12551 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.35 CC(C)Oc1ccc(c(c1)O)C#N MB22978 [0,2,0,0,0,0|1,0,1]=4 268 B13R1.35 CC(C)Oc1ccc(c(c1)O)C=O MB06708 [0,2,0,0,0,0|0,0,0]=2 269 B13R1.35 CC(C)Oc1ccc(c(c1)O)OC MB37143 [0,2,0,0,0,0|2,0,0]=4 270 B13R1.35 CC(C)Oc1ccc(c(c1)O)SC MB26080 [0,2,0,0,0,0|2,0,0]=4 271 B13R1.35 CCc1ccc(cc1O)OC(C)C MB23981 [0,2,0,0,0,0|1,0,1]=4 272 B13R1.142 CC(C)Oc1ccc(cn1)N=C=O AB74226 [0,2,0,0,0,0|1,0,1]=4 273 B13R1.142 c1cc(ccc1CCN)CC(=O)O AB30412 [0,2,0,0,0,0|2,0,0]=4 274 B13R1.585 B(c1ccc(cc1)OC(C)C)(O)O AB15039 [0,2,0,0,0,0|1,0,1]=4 275 B13R1.585 CC(C)Oc1ccc(cn1)[N+](=O)[O-] AB40628 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.653 CC(C)Oc1ccc(cc1O)C#N MB22980 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.653 CC(C)Oc1ccc(cc1O)C=O MB23004 [0,2,0,0,0,0|0,0,0]=2 278 B13R1.653 CC(C)Oc1ccc(cc1O)CN MB28319 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.653 CC(C)Oc1ccc(cc1O)SC MB30393 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.653 CCc1ccc(c(c1)O)OC(C)C MB23978 [0,2,0,0,0,0|1,0,1]=4 281 B13R1.95 CNC(=O)c1ccc(cc1O)C=O MB25312 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.139 CCOc1ccc(cc1)C(=O)C=O AB45359 [0,2,0,0,0,0|0,0,0]=2 283 B13R1.139 CCOc1ccc(cc1)C(=O)C=O AB48696 [0,2,0,0,0,0|0,0,0]=2 284 B13R1.139 COC(=O)c1ccc(cc1)CCBr CB11804 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.537 CCC(=O)c1ccc(cc1)[N+](=O)[O-] AB01233 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.3088 CNC(=O)c1ccc(c(c1)O)C=O MB25309 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.3 CC(=O)COc1ccc(cc1)C#N AB26115 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,2,0,0,0,0|2,0,0]=4 289 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.74 B(c1ccc(cc1)OCCC)(O)O AB15054 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.74 B(c1ccc(cc1)OCOC)(O)O AB14354 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.74 CCCCc1ccc(cc1)C(=N)N AB18400 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] AB25403 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.74 c1cc(ccc1CCCN)[N+](=O)[O-] AB55100 [0,2,0,0,0,0|2,0,0]=4 295 B13R1.140 [B-](c1ccc(cc1)OCC)(F)(F)F AB20548 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.144 B(c1ccc(c(c1)C)OCC)(O)O AB26516 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.144 B(c1ccc(c(c1)Cl)OCC)(O)O AB15792 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.144 CCOc1c(cc(cn1)C(=O)O)F AB76975 [0,2,0,0,0,0|1,0,0]=3 299 B13R1.385 B(c1ccc(cc1C)OCC)(O)O AB20348 [0,2,0,0,0,0|1,0,1]=4 300 B13R1.385 B(c1ccc(cc1Cl)OCC)(O)O AB12620 [0,2,0,0,0,0|1,0,1]=4 301 B11R1.267 CCc1cccc(c1O)C=O MB06560 [0,0,1,1,0,0|2,0,0]=4 302 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [0,0,1,1,0,0|2,0,0]=4 303 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [1,0,0,1,0,0|2,0,0]=4 304 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,1,0,0|1,0,0]=3 305 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [1,0,0,1,0,0|2,0,0]=4 306 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,1,0,0|1,0,0]=3 307 B13R2.184 CCc1ccc(cc1)OC2CC2 MB38311 [0,1,0,1,0,0|1,0,1]=4 308 B13R2.184 CNc1ccc(cc1)OC2CC2 MB50677 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.184 COc1ccc(cc1)OC2CC2 MB35609 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.184 CSc1ccc(cc1)OC2CC2 MB51019 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.184 c1cc(ccc1C#N)OC2CC2 MB20116 [0,1,0,1,0,0|1,0,1]=4 312 B13R2.184 c1cc(ccc1C=O)OC2CC2 MB20130 [0,1,0,1,0,0|0,0,0]=2 313 B13R2.184 c1cc(ccc1CN)OC2CC2 MB20084 [0,1,0,1,0,0|1,0,1]=4 314 B13R2.184 c1cc(ncc1OC2CC2)C=O MB27619 [0,1,0,1,0,0|1,0,0]=3 315 B13R2.2121 Cn1cc2cc(ccc2n1)C=O PB25792 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.2121 Cn1cc2ccc(cc2n1)C=O PB11539 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.2130 c1cc2c(cc1C=O)CNC2=O AB66631 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.57 COc1ccc2c(c1)NCCO2 AB43971 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.57 c1c(cnc2c1CCCO2)C=O AB71418 [0,1,0,1,0,0|1,0,0]=3 320 B13R2.57 c1c(cnc2c1COCC2)C=O AB68710 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.57 c1c(cnc2c1OCCO2)C=O AB65653 [0,1,0,1,0,0|1,0,0]=3 322 B13R2.57 c1c(ncc2c1OCCO2)C=O MB08156 [0,1,0,1,0,0|1,0,0]=3 323 B13R2.57 c1c2c(nc(n1)C=O)CCOC2 AB59054 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.57 c1cc(nc2c1CCCN2)C=O AB66650 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.57 c1cc2c(cc1C#N)NCCO2 AB45779 [0,1,0,1,0,0|1,0,1]=4 326 B13R2.57 c1cc2c(cc1NN)OCCO2 AB12012 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.669 COc1ccc2c(c1)C(CO2)N AB49134 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.669 Cn1c2cc(ccc2cn1)C=O PB34574 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.428 CC(=O)c1ccc(nc1)C2CC2 AB74682 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.428 c1cc(ncc1C(=O)O)C2CC2 AB74679 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O AB12166 [0,1,0,1,0,0|1,0,1]=4 332 B13R2.430 CC(=O)c1cc2c(nc1)OCO2 AB73670 [0,1,0,1,0,0|2,0,0]=4 333 B13R2.430 c1c(cnc2c1CCN2)C(=O)O AB26245 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,1,0,1,0,0|2,0,0]=4 335 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 AB30281 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 PB28170 [0,1,0,1,0,0|2,0,0]=4 337 B13R2.430 c1cc2c(cc1C(=O)O)cno2 AB70277 [0,1,0,1,0,0|1,0,1]=4 338 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 AB12143 [0,1,0,1,0,0|1,1,0]=4 339 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,1,0,1,0,0|0,0,2]=4 340 B13R2.654 c1c(cc2c(c1O)OCO2)C=O AB31261 [0,1,0,1,0,0|1,0,0]=3 341 B13R2.449 c1cc2c(cc1\C=C\Br)OCO2 AB49370 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.599 c1c(c(cc2c1OCO2)N)C=O AB06502 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.21 CCc1[nH]c(cn1)C=O AB08501 [1,0,0,0,1,0|2,0,0]=4 344 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [1,0,0,0,1,0|2,0,0]=4 345 B9R1.21 COc1ncc(s1)C=O AB50989 [1,0,0,0,1,0|2,0,0]=4