0 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl AB30050 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 B(c1cc(ccn1)OC)(O)O AB63993 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.266 B(c1cc(cnc1)OC)(O)O AB14737 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.266 B(c1cccc(c1)C#C)(O)O PB21242 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.266 B(c1cccc(c1)C#N)(O)O AB08782 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.266 B(c1cccc(c1)C=C)(O)O AB08117 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.266 B(c1cccc(c1)CBr)(O)O AB09478 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.266 B(c1cccc(c1)CC)(O)O AB25651 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.266 B(c1cccc(c1)CN)(O)O AB10727 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.266 B(c1cccc(c1)CO)(O)O AB08606 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.266 B(c1cccc(c1)OC)(O)O AB04236 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.266 B(c1cccc(c1)SC)(O)O AB08890 [0,0,0,0,0,0|1,1,1]=3 12 B11R1.266 B(c1cccc(n1)OC)(O)O AB13228 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.266 B(c1ccnc(c1)CC)(O)O AB40842 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.266 B(c1ccnc(c1)OC)(O)O AB32134 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.266 B(c1ccnc(n1)OC)(O)O AB50861 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.266 C#Cc1cccc(c1)[N+](=O)[O-] AB11482 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.266 CC(=O)c1cc(ccn1)C#N AB30645 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.266 CC(=O)c1cc(cnc1)C#N AB50231 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.266 CC(=O)c1cc(ncn1)OC AB76963 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.266 CC(=O)c1cccc(c1)C#C AB21440 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.266 CC(=O)c1cccc(n1)C#N AB50229 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.266 CC(=O)c1cccc(n1)CBr AB60305 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.266 CC(=O)c1cccc(n1)CCl AB59962 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.266 CC(=O)c1cccc(n1)CO AB49267 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.266 CC(=O)c1ccnc(c1)C#N AB25373 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.266 CC(=O)c1ccnc(n1)OC AB76951 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.266 CC(c1cccc(n1)OC)N AB67101 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.266 CC(c1ccnc(c1)OC)N AB67104 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.266 CCc1cc(ccn1)[N+](=O)[O-] AB66446 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.266 CCc1cccc(c1)C(=S)N AB26908 [0,0,0,0,0,0|2,1,0]=3 35 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [0,0,0,0,0,0|1,0,0]=1 37 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [0,0,0,0,0,0|1,1,0]=2 39 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [0,0,0,0,0,0|1,0,0]=1 41 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [0,0,0,0,0,0|1,0,0]=1 44 B11R1.266 COc1ccnc(n1)C(=N)N PB15472 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [0,0,0,0,0,0|2,0,0]=2 46 B11R1.266 c1c(cncc1C(=O)O)C#N AB31370 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.266 c1cc(cc(c1)C(=N)N)C=O AB14991 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN AB14090 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.266 c1cc(nc(c1)C(=O)O)C#N AB56397 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.266 c1cc(nc(c1)C(=O)O)CN AB25598 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.266 c1cnc(cc1C#N)C(=O)O AB49710 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.266 c1cnc(cc1C(=O)Cl)CCl AB60021 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.266 c1cnc(cc1C(=O)O)C#N AB14211 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.266 c1cnc(cc1C(=O)O)CCl AB60022 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.266 c1cnc(cc1C(=O)O)NN PB20224 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.113 B(c1cc(ccn1)C)(O)O AB13221 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.113 B(c1cc(cnc1)O)(O)O AB67806 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [1,0,0,0,0,0|1,1,1]=4 67 B10R1.113 B(c1cccc(n1)C)(O)O AB13224 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.113 B(c1cccc(n1)O)(O)O AB45591 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.113 B(c1ccnc(c1)C)(O)O AB13715 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] PB24788 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [1,0,0,0,0,0|1,1,0]=3 96 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [1,0,0,0,0,0|2,1,0]=4 116 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [1,0,0,0,0,0|2,1,0]=4 117 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [1,0,0,0,0,0|2,1,0]=4 119 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [1,0,0,0,0,0|2,1,0]=4 121 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [1,0,0,0,0,0|1,0,0]=2 140 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [1,0,0,0,0,0|1,0,0]=2 149 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.172 C#Cc1cc(cnc1)C=O AB63411 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [1,0,0,0,0,0|1,0,1]=3 154 B10R1.172 C#Cc1ccnc(c1)C=O AB69038 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.172 CCc1cccc(c1)NN AB27881 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.172 CNc1ccnc(c1)OC AB60615 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.172 COc1cc(ccn1)C#C AB68333 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.172 COc1cc(ccn1)C#N PB24932 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.172 COc1cc(ccn1)C=O PB32415 [1,0,0,0,0,0|1,0,0]=2 160 B10R1.172 COc1cc(ccn1)CCl AB59894 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.172 COc1cc(ccn1)CN PB12590 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.172 COc1cc(ccn1)CO PB12206 [1,0,0,0,0,0|1,0,1]=3 163 B10R1.172 COc1cc(cnc1)C#C AB63414 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.172 COc1cc(cnc1)C=O PB23495 [1,0,0,0,0,0|1,0,0]=2 165 B10R1.172 COc1cc(cnc1)CCl AB67553 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.172 COc1cc(cnc1)CN PB36726 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.172 COc1cc(cnc1)CO PB11991 [1,0,0,0,0,0|1,0,1]=3 168 B10R1.172 COc1cccc(c1)C#C AB04227 [1,0,0,0,0,0|1,0,1]=3 169 B10R1.172 COc1cccc(c1)C#N AB00159 [1,0,0,0,0,0|1,0,1]=3 170 B10R1.172 COc1cccc(c1)C=O AB00318 [1,0,0,0,0,0|0,0,0]=1 171 B10R1.172 COc1cccc(n1)C=O AB22243 [1,0,0,0,0,0|1,0,0]=2 172 B10R1.172 COc1cccc(n1)CCl AB59984 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.172 COc1cccc(n1)CN AB64449 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.172 COc1cccc(n1)CO AB43774 [1,0,0,0,0,0|1,0,1]=3 175 B10R1.172 COc1ccnc(c1)C=O AB43663 [1,0,0,0,0,0|1,0,0]=2 176 B10R1.172 COc1ccnc(c1)CCl AB42302 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.172 COc1ccnc(c1)CCl MB05825 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.172 COc1ccnc(c1)CN AB63680 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.172 COc1ccnc(c1)CO AB42298 [1,0,0,0,0,0|1,0,1]=3 180 B10R1.172 COc1cncc(n1)C=O AB73162 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.172 COc1nccc(n1)C=O AB44816 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.172 COc1nccc(n1)CO PB24420 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.172 CSc1nccc(n1)C=O PB17294 [1,0,0,0,0,0|2,1,0]=4 184 B10R1.172 c1c(cncc1C#N)C=O AB31380 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.172 c1c(cncc1C=O)CCl AB69676 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.172 c1c(cncc1C=O)CN AB31382 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.172 c1cc(nc(c1)C#N)C=O AB08283 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.172 c1cc(nc(c1)C=O)CCl AB54693 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.172 c1cnc(cc1C=O)C#N AB24814 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.172 c1cnc(cc1C=O)CN AB31349 [1,0,0,0,0,0|3,0,0]=4 192 B12R1.11 B(c1cc(cc(c1)Br)OC)(O)O AB32238 [0,1,0,0,0,0|1,0,1]=3 193 B12R1.11 B(c1cc(cc(c1)Cl)OC)(O)O AB13431 [0,1,0,0,0,0|1,0,1]=3 194 B12R1.11 B(c1cc(cc(c1)F)OC)(O)O AB30754 [0,1,0,0,0,0|1,0,1]=3 195 B12R1.11 B(c1cc(cc(c1)OC)C)(O)O AB55281 [0,1,0,0,0,0|1,0,1]=3 196 B12R1.11 B(c1cc(cc(c1)OC)N)(O)O AB76566 [0,1,0,0,0,0|1,0,1]=3 197 B12R1.11 B(c1cc(cc(c1)OC)O)(O)O AB75637 [0,1,0,0,0,0|1,0,1]=3 198 B12R1.11 B(c1cc(cc(n1)OC)Cl)(O)O AB67118 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.11 B(c1cc(cc(n1)OC)N)(O)O AB67121 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.11 B(c1cc(nc(c1)Br)OC)(O)O AB76458 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.11 B(c1cc(nc(c1)Cl)OC)(O)O AB67119 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.11 B(c1cc(nc(c1)F)OC)(O)O AB71341 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.11 B(c1cc(nc(c1)OC)C)(O)O AB71384 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.11 B(c1cc(nc(c1)OC)N)(O)O AB67128 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.11 B(c1cc(nc(c1)OC)O)(O)O AB80794 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.11 CC(=O)c1cc(cc(c1)Br)C#N AB77764 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.11 CC(=O)c1cc(cc(c1)Br)C=O AB77650 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.11 CC(=O)c1cc(cc(c1)Br)CCl AB77549 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.11 CC(=O)c1cc(cc(c1)Br)OC AB77768 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.11 CC(=O)c1cc(cc(c1)Cl)C#N AB77753 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.11 CC(=O)c1cc(cc(c1)Cl)C=O AB77646 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.11 CC(=O)c1cc(cc(c1)Cl)CCl AB77540 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.11 CC(=O)c1cc(cc(c1)Cl)OC AB77758 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.11 CC(=O)c1cc(cc(c1)F)C#N AB76159 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.11 CC(=O)c1cc(cc(c1)F)C=O AB77641 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.11 CC(=O)c1cc(cc(c1)F)CCl AB77533 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.11 CC(=O)c1cc(cc(c1)F)OC AB64285 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.11 CC(=O)c1cc(cc(c1)I)C#N AB77775 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.11 CC(=O)c1cc(cc(c1)I)C=O AB77661 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.11 CC(=O)c1cc(cc(c1)I)CCl AB77564 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.11 CC(=O)c1cc(cc(c1)I)OC AB77778 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.11 CC(=O)c1cc(cc(c1)N)CN AB77909 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.11 CC(=O)c1cc(cc(c1)O)C#N AB77800 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.11 CC(=O)c1cc(cc(c1)O)C=O AB76155 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.11 CC(=O)c1cc(cc(c1)O)CN AB77926 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.11 CC(=O)c1cc(cc(c1)OC)O AB77824 [0,1,0,0,0,0|1,0,0]=2 227 B12R1.11 CC(=O)c1cc(cc(n1)Br)OC AB79657 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.11 CC(=O)c1cc(cc(n1)Cl)OC AB74860 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.11 CC(=O)c1cc(cc(n1)F)OC AB79627 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.11 CC(=O)c1cc(cc(n1)I)OC AB79678 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.11 CC(=O)c1cc(cc(n1)O)OC AB79887 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.11 CC(=O)c1cc(cc(n1)OC)Br AB68206 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.11 CC(=O)c1cc(cc(n1)OC)Cl AB67051 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.11 CC(=O)c1cc(cc(n1)OC)F AB79792 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.11 CC(=O)c1cc(cc(n1)OC)I AB79838 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.11 CC(=O)c1cc(cc(n1)OC)O AB79739 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.11 CC(=O)c1cc(nc(c1)Br)OC AB79937 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.11 CC(=O)c1cc(nc(c1)Cl)OC AB67054 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.11 CC(=O)c1cc(nc(c1)F)OC AB79915 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.11 CC(=O)c1cc(nc(c1)I)OC AB79950 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.11 CC(=O)c1cc(nc(c1)OC)O AB80005 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.11 CCc1cc(cc(c1)O)C(=O)N MB23670 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.11 CCc1cc(cc(c1)O)C(=O)O MB23684 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.11 CN(C)c1cc(cc(c1)OC)O MB31399 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.11 CNc1cc(cc(c1)O)C(=O)N MB37686 [0,1,0,0,0,0|2,0,0]=3 246 B12R1.11 COc1cc(cc(c1)Br)C(=O)O AB05500 [0,1,0,0,0,0|0,0,0]=1 247 B12R1.11 COc1cc(cc(c1)Br)[N+](=O)[O-] AB17662 [0,1,0,0,0,0|1,0,1]=3 248 B12R1.11 COc1cc(cc(c1)Cl)C(=O)O AB08610 [0,1,0,0,0,0|0,0,0]=1 249 B12R1.11 COc1cc(cc(c1)F)C(=O)O AB43741 [0,1,0,0,0,0|0,0,0]=1 250 B12R1.11 COc1cc(cc(c1)I)C(=O)O AB76639 [0,1,0,0,0,0|0,0,0]=1 251 B12R1.11 COc1cc(cc(c1)N)C(=O)O AB42796 [0,1,0,0,0,0|0,0,0]=1 252 B12R1.11 COc1cc(cc(c1)O)C(=O)N MB29186 [0,1,0,0,0,0|1,0,0]=2 253 B12R1.11 COc1cc(cc(c1)O)C(=O)O AB25434 [0,1,0,0,0,0|0,0,0]=1 254 B12R1.11 COc1cc(cc(n1)Br)C(=O)O AB63173 [0,1,0,0,0,0|1,0,0]=2 255 B12R1.11 COc1cc(cc(n1)C(=O)O)Br AB68203 [0,1,0,0,0,0|1,0,0]=2 256 B12R1.11 COc1cc(cc(n1)C(=O)O)Cl AB67013 [0,1,0,0,0,0|1,0,0]=2 257 B12R1.11 COc1cc(cc(n1)C(=O)O)F AB67023 [0,1,0,0,0,0|1,0,0]=2 258 B12R1.11 COc1cc(cc(n1)C(=O)O)I AB79393 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.11 COc1cc(cc(n1)C(=O)O)N AB67032 [0,1,0,0,0,0|1,0,0]=2 260 B12R1.11 COc1cc(cc(n1)C(=O)O)O AB74894 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.11 COc1cc(cc(n1)Cl)C(=O)O AB04381 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.11 COc1cc(cc(n1)F)C(=O)O AB67024 [0,1,0,0,0,0|1,0,0]=2 263 B12R1.11 COc1cc(cc(n1)I)C(=O)O AB79520 [0,1,0,0,0,0|1,0,0]=2 264 B12R1.11 COc1cc(cc(n1)N)C(=O)O AB67035 [0,1,0,0,0,0|1,0,0]=2 265 B12R1.11 COc1cc(cc(n1)O)C(=O)O AB79579 [0,1,0,0,0,0|1,0,0]=2 266 B12R1.11 COc1cc(nc(c1)Br)C(=O)O AB67867 [0,1,0,0,0,0|1,0,0]=2 267 B12R1.11 COc1cc(nc(c1)Cl)C(=O)O AB16785 [0,1,0,0,0,0|1,0,0]=2 268 B12R1.11 COc1cc(nc(c1)F)C(=O)O AB67871 [0,1,0,0,0,0|1,0,0]=2 269 B12R1.11 COc1cc(nc(c1)I)C(=O)O AB79265 [0,1,0,0,0,0|1,0,0]=2 270 B12R1.11 COc1cc(nc(c1)N)C(=O)O AB67876 [0,1,0,0,0,0|1,0,0]=2 271 B12R1.11 COc1cc(nc(c1)O)C(=O)O AB79449 [0,1,0,0,0,0|1,0,0]=2 272 B12R1.11 COc1nc(cc(n1)Cl)C(=O)O AB58867 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.11 CSc1cc(cc(c1)O)C(=O)N MB26111 [0,1,0,0,0,0|1,1,0]=3 274 B12R1.11 CSc1cc(cc(c1)O)C(=O)O MB33105 [0,1,0,0,0,0|0,1,0]=2 275 B12R1.11 Cc1cc(cc(c1)C(=O)C)C#N AB77801 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.11 Cc1cc(cc(c1)C(=O)C)C=O AB77677 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.11 Cc1cc(cc(c1)C(=O)C)CCl AB77587 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.11 Cc1cc(cc(c1)C(=O)O)C#N AB62673 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.11 Cc1cc(cc(c1)C(=O)O)C=O AB76508 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.11 Cc1cc(cc(c1)OC)C(=O)C AB71648 [0,1,0,0,0,0|1,0,0]=2 281 B12R1.11 Cc1cc(cc(c1)OC)C(=O)O AB65530 [0,1,0,0,0,0|0,0,0]=1 282 B12R1.11 Cc1cc(cc(n1)C#N)C(=O)O AB79553 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.11 Cc1cc(cc(n1)C(=O)C)OC AB79708 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.11 Cc1cc(cc(n1)C(=O)O)C#N AB68136 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.11 Cc1cc(cc(n1)C(=O)O)C=O AB79291 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.11 Cc1cc(cc(n1)C(=O)O)OC AB74942 [0,1,0,0,0,0|1,0,0]=2 287 B12R1.11 Cc1cc(cc(n1)C=O)C(=O)O AB75283 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.11 Cc1cc(cc(n1)OC)C(=O)C AB79979 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.11 Cc1cc(cc(n1)OC)C(=O)O AB71380 [0,1,0,0,0,0|1,0,0]=2 290 B12R1.11 Cc1cc(nc(c1)C(=O)O)C#N AB79421 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.11 Cc1cc(nc(c1)C(=O)O)C=O AB79425 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.11 Cc1cc(nc(c1)OC)C(=O)C AB75231 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.11 Cc1cc(nc(c1)OC)C(=O)O AB74943 [0,1,0,0,0,0|1,0,0]=2 294 B12R1.11 c1c(cc(cc1C(=O)N)O)C#N MB37660 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.11 c1c(cc(cc1C(=O)N)O)C=O MB29876 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.11 c1c(cc(cc1C(=O)N)O)CN MB37005 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.11 c1c(cc(cc1C(=O)O)Br)C#N AB50041 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.11 c1c(cc(cc1C(=O)O)Br)C=O AB77711 [0,1,0,0,0,0|2,0,0]=3 299 B12R1.11 c1c(cc(cc1C(=O)O)Cl)C#N AB29579 [0,1,0,0,0,0|2,0,0]=3 300 B12R1.11 c1c(cc(cc1C(=O)O)Cl)C=O AB76525 [0,1,0,0,0,0|2,0,0]=3 301 B12R1.11 c1c(cc(cc1C(=O)O)F)C#N AB21903 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.11 c1c(cc(cc1C(=O)O)I)C#N AB77714 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.11 c1c(cc(cc1C(=O)O)I)C=O AB77715 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.11 c1c(cc(cc1C(=O)O)N)C#N AB50174 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.11 c1c(cc(cc1C(=O)O)O)C#N AB71614 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.11 c1c(cc(cc1C(=O)O)O)C=O AB71639 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.11 c1c(cc(cc1C(=O)O)O)CN MB35663 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.11 c1c(cc(nc1C#N)Br)C(=O)O AB79502 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.11 c1c(cc(nc1C#N)C(=O)O)Br AB67394 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.11 c1c(cc(nc1C#N)C(=O)O)Cl AB67389 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.11 c1c(cc(nc1C#N)C(=O)O)F AB79350 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.11 c1c(cc(nc1C#N)C(=O)O)I AB79383 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.11 c1c(cc(nc1C#N)C(=O)O)N AB79277 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.11 c1c(cc(nc1C#N)C(=O)O)O AB79290 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.11 c1c(cc(nc1C#N)Cl)C(=O)O AB67391 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.11 c1c(cc(nc1C#N)F)C(=O)O AB79481 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.11 c1c(cc(nc1C#N)I)C(=O)O AB79512 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.11 c1c(cc(nc1C#N)N)C(=O)O AB79538 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.11 c1c(cc(nc1C#N)O)C(=O)O AB79552 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.11 c1c(cc(nc1C(=O)O)Br)C#N AB79250 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.11 c1c(cc(nc1C(=O)O)Br)C=O AB79252 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.11 c1c(cc(nc1C(=O)O)Cl)C#N AB68134 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.11 c1c(cc(nc1C(=O)O)Cl)C=O AB79245 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.11 c1c(cc(nc1C(=O)O)F)C#N AB79226 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.11 c1c(cc(nc1C(=O)O)F)C=O AB79233 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.11 c1c(cc(nc1C(=O)O)I)C#N AB79258 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.11 c1c(cc(nc1C(=O)O)I)C=O AB79268 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.11 c1c(cc(nc1C(=O)O)N)C#N AB79408 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.11 c1c(cc(nc1C(=O)O)O)C#N AB79419 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.11 c1c(cc(nc1C(=O)O)O)C=O AB79473 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.11 c1c(cc(nc1C=O)Br)C(=O)O AB79506 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.11 c1c(cc(nc1C=O)C(=O)O)Br AB79378 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.11 c1c(cc(nc1C=O)C(=O)O)Cl AB76692 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.11 c1c(cc(nc1C=O)C(=O)O)F AB79358 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.11 c1c(cc(nc1C=O)C(=O)O)I AB79395 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.11 c1c(cc(nc1C=O)C(=O)O)O AB79340 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.11 c1c(cc(nc1C=O)Cl)C(=O)O AB79497 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.11 c1c(cc(nc1C=O)F)C(=O)O AB79486 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.11 c1c(cc(nc1C=O)I)C(=O)O AB79522 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.11 c1c(cc(nc1C=O)O)C(=O)O AB79599 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.56 B(c1cc(c(nc1)Cl)OC)(O)O AB67568 [0,1,0,0,0,0|2,0,1]=4 342 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O AB44497 [0,1,0,0,0,0|1,0,1]=3 343 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [0,1,0,0,0,0|2,0,1]=4 344 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [0,1,0,0,0,0|1,0,0]=2 346 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [0,1,0,0,0,0|2,0,0]=3 348 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [0,1,0,0,0,0|1,0,0]=2 349 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [0,1,0,0,0,0|0,0,0]=1 351 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [0,1,0,0,0,0|1,0,0]=2 352 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [0,1,0,0,0,0|1,0,0]=2 353 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [0,1,0,0,0,0|1,1,0]=3 354 B12R1.56 c1c(c(cnc1C(=O)O)N)C=O AB83637 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.56 c1c(c(cnc1C(=O)O)O)C=O AB84408 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.56 c1c(cnc(c1C=O)N)C(=O)O AB83709 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.56 c1c(cnc(c1C=O)O)C(=O)O AB84521 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.56 c1cc(c(cc1C(=O)N)C#N)O MB26383 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.56 c1cc(c(cc1C(=O)N)CN)O MB32597 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.56 c1cc(nc(c1N)C=O)C(=O)O AB83727 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.56 c1cc(nc(c1O)C=O)C(=O)O AB84568 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.258 B(c1cc(cnc1)C(=O)O)(O)O AB11841 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.258 B(c1cccc(c1)C(=O)C)(O)O AB08113 [0,1,0,0,0,0|2,0,1]=4 366 B12R1.258 B(c1cccc(c1)C(=O)N)(O)O AB14311 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.258 B(c1cccc(c1)C(=O)O)(O)O AB01578 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.258 B(c1cccc(c1)C(C)C)(O)O AB08080 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.258 B(c1cccc(c1)N(C)C)(O)O AB08808 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.258 CC(=O)c1cccc(n1)N(C)C AB67489 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.258 CC(=O)c1ccnc(c1)N(C)C AB67491 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.258 CC(C)c1cccc(n1)C(=O)O PB11338 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.258 CN(C)c1cc(ccn1)C(=O)O AB42050 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.258 CN(C)c1cccc(n1)C(=O)O AB67487 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.258 c1c(cncc1C(=O)O)C(F)F AB74745 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.258 c1c(cncc1[N+](=O)[O-])C(=O)O AB17149 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.258 c1cc(nc(c1)C(=O)O)C(F)F AB74740 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.258 c1cnc(cc1C(=O)O)C(F)F AB74747 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.258 c1cnc(cc1[N+](=O)[O-])C(=O)O PB10126 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.279 B(c1cc(cnc1)OCC)(O)O AB40926 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.279 B(c1cccc(c1)OCC)(O)O AB05868 [0,1,0,0,0,0|1,0,1]=3 382 B12R1.279 B(c1cccc(c1)SCC)(O)O AB13167 [0,1,0,0,0,0|1,1,1]=4 383 B12R1.279 B(c1cccc(n1)OCC)(O)O AB50940 [0,1,0,0,0,0|2,0,1]=4 384 B12R1.279 B(c1ccnc(c1)OCC)(O)O AB40887 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.279 CCOc1cc(ccn1)C(=O)O AB20466 [0,1,0,0,0,0|1,0,0]=2 386 B12R1.279 CCOc1cc(cnc1)C(=O)C AB41131 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.279 CCOc1ccnc(c1)C(=O)O AB20462 [0,1,0,0,0,0|1,0,0]=2 388 B12R1.279 c1cc(cc(c1)C(=O)O)CCN MB05049 [0,1,0,0,0,0|1,0,0]=2 389 B12R1.279 c1cc(nc(c1)C(=O)O)CC#N AB59891 [0,1,0,0,0,0|2,0,1]=4 390 B12R1.435 COC(=N)c1cccc(c1)C=O AB61000 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.435 COC(=N)c1cccc(c1)CBr AB70364 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.435 COC(=O)c1cc(ccn1)C#C AB69039 [0,1,0,0,0,0|2,0,1]=4 393 B12R1.435 COC(=O)c1cc(ccn1)CBr AB31491 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.435 COC(=O)c1cc(cnc1)C#N AB31365 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.435 COC(=O)c1cc(cnc1)CBr CB11445 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.435 COC(=O)c1cc(cnc1)CCl AB60042 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.435 COC(=O)c1cccc(c1)C#C AB48503 [0,1,0,0,0,0|1,0,1]=3 398 B12R1.435 COC(=O)c1cccc(n1)C#N AB31417 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.435 COC(=O)c1cccc(n1)C=O AB31420 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.435 COC(=O)c1cccc(n1)CBr AB13868 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.435 COC(=O)c1cccc(n1)CCl AB55277 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.435 COC(=O)c1cccc(n1)CN AB49256 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.435 COC(=O)c1cccc(n1)CO AB16738 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.435 COC(=O)c1ccnc(c1)C#N AB31346 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.435 COC(=O)c1ccnc(c1)CBr CB11443 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.435 COc1cc(ccn1)C(=O)OC PB23599 [0,1,0,0,0,0|1,0,0]=2 407 B12R1.435 COc1cc(cnc1)C(=O)CBr AB68689 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.435 COc1cc(cnc1)C(=O)OC PB10663 [0,1,0,0,0,0|1,0,0]=2 409 B12R1.435 COc1cccc(c1)C(=N)OC AB60958 [0,1,0,0,0,0|1,0,0]=2 410 B12R1.435 COc1cccc(c1)C(=O)C=O AB29981 [0,1,0,0,0,0|0,0,1]=2 411 B12R1.435 COc1cccc(n1)C(=O)NN AB43766 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.435 COc1cccc(n1)C(=O)OC AB42523 [0,1,0,0,0,0|1,0,0]=2 413 B12R1.435 COc1ccnc(c1)C(=O)CBr AB60201 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.435 COc1ccnc(c1)C(=O)NN AB42515 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.435 COc1ccnc(c1)C(=O)OC AB07787 [0,1,0,0,0,0|1,0,0]=2 416 B12R1.435 COc1cncc(n1)C(=O)OC AB11670 [0,1,0,0,0,0|2,0,0]=3 417 B12R1.435 C[C@H](CN)c1cccc(c1)OC AB85100 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.435 c1cc(cc(c1)C(=O)C=O)C#N AB24852 [0,1,0,0,0,0|2,0,1]=4 419 B12R1.436 COc1cc(ccn1)S(=O)(=O)Cl AB67145 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.436 COc1cc(cnc1)S(=O)(=O)Cl AB67572 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.436 COc1cccc(n1)S(=O)(=O)Cl AB67142 [0,1,0,0,0,0|2,0,1]=4 422 B12R1.436 COc1ccnc(c1)S(=O)(=O)Cl AB67909 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.436 [B-](c1cccc(c1)OC)(F)(F)F AB17461 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.440 B(c1cccc(c1F)OC)(O)O AB10917 [0,1,0,0,0,0|1,0,1]=3 425 B12R1.440 B(c1cccc(c1O)OC)(O)O AB48276 [0,1,0,0,0,0|1,0,1]=3 426 B12R1.440 B(c1ccnc(c1Cl)OC)(O)O AB29873 [0,1,0,0,0,0|2,0,1]=4 427 B12R1.440 B(c1ccnc(c1F)OC)(O)O AB71342 [0,1,0,0,0,0|2,0,1]=4 428 B12R1.440 CC(=O)c1c(c(ccn1)OC)N AB83867 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.440 CC(=O)c1c(c(ccn1)OC)O AB84341 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.440 CC(=O)c1ccnc(c1F)OC AB74880 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.440 CC(=O)c1ccnc(c1N)OC AB83762 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.440 CC(=O)c1ccnc(c1O)OC AB74868 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.440 CC(=O)c1cncc(c1N)OC AB83804 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.440 CC(=O)c1cncc(c1O)OC AB84179 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.440 CC(C)c1cccc(c1O)OC MB14725 [0,1,0,0,0,0|2,0,1]=4 436 B12R1.440 CCc1cccc(c1O)C(=O)N MB24004 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.440 CCc1cccc(c1O)C(=O)O MB09458 [0,1,0,0,0,0|1,0,0]=2 438 B12R1.440 CN(C)c1cccc(c1O)OC MB34320 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.440 COc1c(c(ccn1)C(=O)O)F AB66803 [0,1,0,0,0,0|1,0,0]=2 440 B12R1.440 COc1c(c(ccn1)C(=O)O)N AB75431 [0,1,0,0,0,0|1,0,0]=2 441 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] AB42485 [0,1,0,0,0,0|1,0,1]=3 442 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] PB22450 [0,1,0,0,0,0|1,0,1]=3 443 B12R1.440 COc1cccc(c1F)C(=O)O AB11420 [0,1,0,0,0,0|0,0,0]=1 444 B12R1.440 COc1cccc(c1O)C(=O)N MB03777 [0,1,0,0,0,0|1,0,0]=2 445 B12R1.440 COc1ccnc(c1N)C(=O)O AB75476 [0,1,0,0,0,0|1,0,0]=2 446 B12R1.440 COc1cncc(c1N)C(=O)O AB83419 [0,1,0,0,0,0|1,0,0]=2 447 B12R1.440 CSc1cccc(c1O)C(=O)N MB26226 [0,1,0,0,0,0|1,1,0]=3 448 B12R1.440 CSc1cccc(c1O)C(=O)O MB25594 [0,1,0,0,0,0|0,1,0]=2 449 B12R1.440 Cc1c(cccc1OC)[N+](=O)[O-] PB25898 [0,1,0,0,0,0|1,0,1]=3 450 B12R1.440 c1c(c(c(cn1)C(=O)O)N)C=O AB83424 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.440 c1c(c(c(cn1)C(=O)O)O)C=O AB84424 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.440 c1cc(c(c(c1)C(=O)N)O)C#N MB34449 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.440 c1cc(c(c(c1)C(=O)N)O)C=O MB35367 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.440 c1cc(c(c(c1)C(=O)N)O)CN MB28794 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.440 c1cc(c(c(c1)C(=O)O)F)C#N MB07191 [0,1,0,0,0,0|2,0,0]=3 456 B12R1.440 c1cc(c(c(c1)C(=O)O)O)C#N MB25554 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.440 c1cnc(c(c1C(=O)O)N)C=O AB83371 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.440 c1cnc(c(c1C(=O)O)O)C=O AB84608 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.440 c1cnc(c(c1C=O)N)C(=O)O AB83579 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.440 c1cnc(c(c1C=O)O)C(=O)O AB84369 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.453 B(c1cc(ccc1Br)OC)(O)O AB26490 [0,1,0,0,0,0|1,0,1]=3 462 B12R1.453 B(c1cc(ccc1C)OC)(O)O AB14734 [0,1,0,0,0,0|1,0,1]=3 463 B12R1.453 B(c1cc(ccc1Cl)OC)(O)O AB26489 [0,1,0,0,0,0|1,0,1]=3 464 B12R1.453 B(c1cc(ccc1F)OC)(O)O AB21493 [0,1,0,0,0,0|1,0,1]=3 465 B12R1.453 B(c1cc(cnc1Cl)OC)(O)O AB62592 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.453 B(c1cc(ncc1Br)OC)(O)O AB42608 [0,1,0,0,0,0|2,0,1]=4 467 B12R1.453 B(c1cc(ncc1Cl)OC)(O)O AB25797 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.453 B(c1cc(ncc1F)OC)(O)O AB25729 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.453 CC(=O)c1c(ccc(n1)OC)N AB77145 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.453 CC(=O)c1c(ccc(n1)OC)O AB71440 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.453 CC(=O)c1cc(cnc1F)OC AB72625 [0,1,0,0,0,0|2,0,0]=3 472 B12R1.453 CC(=O)c1cc(cnc1N)OC AB75419 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.453 CC(=O)c1cc(cnc1O)OC AB84257 [0,1,0,0,0,0|2,0,0]=3 474 B12R1.453 CC(=O)c1cc(ncc1N)OC AB83786 [0,1,0,0,0,0|2,0,0]=3 475 B12R1.453 CC(=O)c1cc(ncc1O)OC AB69290 [0,1,0,0,0,0|2,0,0]=3 476 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.453 CCc1ccc(c(c1)C(=O)N)O MB23859 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.453 CCc1ccc(c(c1)C(=O)O)O MB09459 [0,1,0,0,0,0|1,0,0]=2 479 B12R1.453 CN(C)c1cc(ccc1O)OC MB28072 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.453 CNc1ccc(c(c1)C(=O)N)O MB34583 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.453 CNc1ccc(c(c1)C(=O)O)O MB36368 [0,1,0,0,0,0|1,0,0]=2 482 B12R1.453 COc1cc(c(cn1)Br)C(=O)O AB41196 [0,1,0,0,0,0|1,0,0]=2 483 B12R1.453 COc1cc(c(cn1)Cl)C(=O)O AB41192 [0,1,0,0,0,0|1,0,0]=2 484 B12R1.453 COc1cc(c(cn1)N)C(=O)O PB30757 [0,1,0,0,0,0|1,0,0]=2 485 B12R1.453 COc1cc(c(nc1)Cl)C(=O)O PB25567 [0,1,0,0,0,0|1,0,0]=2 486 B12R1.453 COc1cc(c(nc1)N)C(=O)O AB83489 [0,1,0,0,0,0|1,0,0]=2 487 B12R1.453 COc1ccc(c(c1)C(=O)N)O MB00843 [0,1,0,0,0,0|1,0,0]=2 488 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br AB02121 [0,1,0,0,0,0|1,0,1]=3 489 B12R1.453 COc1ccc(c(n1)C(=O)O)Br AB66791 [0,1,0,0,0,0|1,0,0]=2 490 B12R1.453 COc1ccc(c(n1)C(=O)O)Cl AB62921 [0,1,0,0,0,0|1,0,0]=2 491 B12R1.453 COc1ccc(c(n1)C(=O)O)N AB50525 [0,1,0,0,0,0|1,0,0]=2 492 B12R1.453 COc1cnc(c(n1)C(=O)O)Cl AB73164 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.453 COc1cnc(c(n1)C(=O)O)N AB60428 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.453 CSc1ccc(c(c1)C(=O)N)O MB29871 [0,1,0,0,0,0|1,1,0]=3 495 B12R1.453 CSc1ncc(c(n1)C(=O)O)Br PB32203 [0,1,0,0,0,0|2,1,0]=4 496 B12R1.453 CSc1ncc(c(n1)C(=O)O)N MB11944 [0,1,0,0,0,0|2,1,0]=4 497 B12R1.453 Cc1ccc(cc1C(=O)O)C#N AB68603 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.453 c1c(cnc(c1C(=O)O)N)C=O AB83491 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.453 c1c(ncc(c1C(=O)O)N)C=O AB83402 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.453 c1cc(c(cc1C#N)C(=O)N)O MB11926 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.453 c1cc(c(cc1C#N)C(=O)O)I MB14468 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.453 c1cc(c(cc1C#N)C(=O)O)O MB25595 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.453 c1cc(c(cc1C=O)C(=O)N)O MB13460 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.453 c1cc(c(cc1CN)C(=O)N)O MB35030 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.453 c1cc(c(cc1CN)C(=O)O)O MB01553 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.453 c1cc(c(nc1C=O)C(=O)O)N AB83534 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.453 c1cc(c(nc1CCl)C(=O)O)N AB83539 [0,1,0,0,0,0|3,0,0]=4 508 B12R2.43 COc1cccc(c1)C2CO2 MB01957 [0,0,0,1,0,0|1,0,1]=3 509 B10R1.31 CCc1[nH]c(cn1)C(=O)O AB23181 [0,0,0,0,1,0|3,0,0]=4 510 B10R1.31 CCc1cc(no1)C(=O)O AB22807 [0,0,0,0,1,0|3,0,0]=4 511 B10R1.31 COc1cc(on1)C(=O)O AB31988 [0,0,0,0,1,0|2,0,0]=3 512 B10R1.31 COc1ncc(s1)C(=O)O AB50992 [0,0,0,0,1,0|2,0,0]=3 513 B10R1.39 c1csc(c1C#N)C(=O)O AB09996 [0,0,0,0,1,0|3,0,0]=4 514 B12R1.438 CC(Cc1cccc(c1)OC)N MB01562 [0,0,0,0,0,1|2,0,1]=4 515 B12R1.438 COc1cc(ccn1)CC(=O)O AB61445 [0,0,0,0,0,1|1,0,0]=2 516 B12R1.438 COc1cccc(c1)CC(=N)N AB21306 [0,0,0,0,0,1|2,0,0]=3 517 B12R1.438 COc1cccc(c1)NC(=N)N AB30295 [0,0,0,0,0,1|2,0,0]=3 518 B12R1.438 COc1cccc(n1)CC(=O)O AB55197 [0,0,0,0,0,1|1,0,0]=2 519 B12R1.438 COc1ccnc(n1)CC(=O)O AB59188 [0,0,0,0,0,1|2,0,0]=3 520 B12R1.438 C[C@@H](Cc1cccc(c1)OC)N AB76439 [0,0,0,0,0,1|2,0,1]=4 521 B12R1.438 C[C@H](Cc1cccc(c1)OC)N AB76426 [0,0,0,0,0,1|2,0,1]=4 522 B12R1.438 c1cnc(cc1CC(=O)O)C#N AB31454 [0,0,0,0,0,1|3,0,0]=4 523 B12R1.438 c1cnc(cc1CC(=O)O)CN AB31451 [0,0,0,0,0,1|3,0,0]=4 524 B9R1.2 CCc1cc(ccn1)O MB11624 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.2 CCc1cc(cnc1)O MB12329 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.2 CNc1cc(ccn1)O MB29569 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.2 CNc1cc(cnc1)O MB32689 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|1,0,0]=3 529 B9R1.2 COc1cc(ccn1)Br AB44876 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.2 COc1cc(ccn1)Cl AB27571 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.2 COc1cc(ccn1)F AB53299 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.2 COc1cc(ccn1)I MB06098 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.2 COc1cc(ccn1)N PB20942 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.2 COc1cc(ccn1)O MB11972 [2,0,0,0,0,0|1,0,0]=3 535 B9R1.2 COc1cc(cnc1)Br PB24634 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.2 COc1cc(cnc1)Cl AB55073 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.2 COc1cc(cnc1)F AB66777 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.2 COc1cc(cnc1)I AB43793 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.2 COc1cc(cnc1)N PB12653 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.2 COc1cc(cnc1)N PB25488 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.2 COc1cc(cnc1)O AB29711 [2,0,0,0,0,0|1,0,0]=3 542 B9R1.2 COc1cccc(n1)Cl AB00671 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.2 COc1cccc(n1)F AB55818 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.2 COc1cccc(n1)I AB31101 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.2 COc1cccc(n1)N AB21183 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.2 COc1cccc(n1)O AB31854 [2,0,0,0,0,0|1,0,0]=3 547 B9R1.2 COc1ccnc(c1)Br AB23696 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.2 COc1ccnc(c1)Cl AB10868 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.2 COc1ccnc(c1)F AB66367 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.2 COc1ccnc(c1)N AB41933 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.2 CSc1cc(ccn1)O MB36936 [2,0,0,0,0,0|1,1,0]=4 552 B9R1.2 CSc1cc(cnc1)O MB28894 [2,0,0,0,0,0|1,1,0]=4 553 B9R1.2 Cc1cc(ccn1)C=O AB24827 [2,0,0,0,0,0|1,0,0]=3 554 B9R1.2 Cc1cc(cnc1)C=O PB18860 [2,0,0,0,0,0|1,0,0]=3 555 B9R1.2 Cc1cc(cnc1)CO PB10532 [2,0,0,0,0,0|1,0,1]=4 556 B9R1.2 Cc1cc(cnc1)OC AB64998 [2,0,0,0,0,0|1,0,1]=4 557 B9R1.2 Cc1cccc(n1)C=O AB00683 [2,0,0,0,0,0|1,0,0]=3 558 B9R1.2 Cc1ccnc(n1)C=O PB28177 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.2 Cc1cncc(n1)C=O AB62637 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.2 Cc1nccc(n1)C=O AB52721 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.2 c1c(cncc1Br)C=O PB10234 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.2 c1c(cncc1Cl)C=O PB29540 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.2 c1c(cncc1F)C=O PB12469 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.2 c1c(cncc1I)C=O AB45533 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.2 c1c(cncc1N)C=O AB67741 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.2 c1c(cncc1O)C=O AB67779 [2,0,0,0,0,0|1,0,0]=3 567 B9R1.2 c1c(ncnc1O)C=O AB58874 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [2,0,0,0,0,0|1,0,1]=4 569 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [2,0,0,0,0,0|2,0,0]=4 571 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [2,0,0,0,0,0|2,0,0]=4 572 B9R1.2 c1cnc(cc1Br)C=O PB10584 [2,0,0,0,0,0|2,0,0]=4 573 B9R1.2 c1cnc(cc1C=O)Br AB17326 [2,0,0,0,0,0|2,0,0]=4 574 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [2,0,0,0,0,0|2,0,0]=4 575 B9R1.2 c1cnc(cc1C=O)F AB24818 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.2 c1cnc(cc1F)C=O AB68024 [2,0,0,0,0,0|2,0,0]=4 578 B9R1.2 c1cnc(cc1N)C=O AB68102 [2,0,0,0,0,0|2,0,0]=4 579 B9R1.2 c1cnc(cc1O)C=O AB68125 [2,0,0,0,0,0|1,0,0]=3 580 B9R1.6 CC(=O)c1ccccn1 AB00686 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.6 CC(=O)c1cccnc1 AB00750 [2,0,0,0,0,0|2,0,0]=4 582 B9R1.6 CC(=O)c1ccncc1 AB00760 [2,0,0,0,0,0|2,0,0]=4 583 B9R1.6 c1c(cncn1)C(=O)O PB23195 [2,0,0,0,0,0|2,0,0]=4 584 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [2,0,0,0,0,0|1,0,0]=3 587 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.6 c1cnccc1C(=O)O AB00757 [2,0,0,0,0,0|1,0,0]=3 590 B9R1.6 c1cncnc1C(=O)O PB29023 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.6 c1cnncc1C(=O)O PB17054 [2,0,0,0,0,0|2,0,0]=4 592 B11R1.21 B(c1ccc(c(c1)C)C)(O)O AB07958 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O AB12318 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.21 B(c1ccc(c(c1)C)F)(O)O AB10389 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.21 B(c1ccc(c(c1)O)C)(O)O AB08101 [1,1,0,0,0,0|1,0,1]=4 596 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O AB59548 [1,1,0,0,0,0|1,0,1]=4 597 B11R1.21 B(c1ccc(c(c1)O)F)(O)O AB48248 [1,1,0,0,0,0|1,0,1]=4 598 B11R1.21 CC(=O)c1cc(c(cn1)Cl)O AB75003 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.21 CC(=O)c1ccc(c(n1)O)Cl AB84085 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.21 Cc1c(ncc(n1)C(=O)O)Cl AB71835 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.21 Cc1c(ncc(n1)C(=O)O)F AB85697 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.21 Cc1cc(ncc1Cl)C(=O)C AB75107 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [1,1,0,0,0,0|1,0,0]=3 627 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [1,1,0,0,0,0|1,1,0]=4 629 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [1,1,0,0,0,0|1,0,0]=3 630 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] AB01960 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O PB12782 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.21 Cn1ccc(cc1=O)C(=O)O PB32349 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O AB10529 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.21 c1c(cnc(c1Cl)F)C(=O)O AB15015 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O AB63730 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.21 c1c(cnc(c1F)Br)C(=O)O AB62700 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.21 c1c(cnc(c1F)Cl)C(=O)O AB64027 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.21 c1c(cnc(c1F)F)C(=O)O PB14646 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O AB75265 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.21 c1c(cnc(c1N)N)C(=O)O AB60261 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.21 c1c(cnc(c1O)Cl)C(=O)O AB72035 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [1,1,0,0,0,0|1,0,0]=3 673 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [1,1,0,0,0,0|1,0,0]=3 675 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [1,1,0,0,0,0|1,0,0]=3 676 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [1,1,0,0,0,0|1,0,0]=3 677 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [1,1,0,0,0,0|0,0,0]=2 679 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [1,1,0,0,0,0|0,0,0]=2 680 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [1,1,0,0,0,0|0,0,0]=2 681 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.74 B(c1cc(cc(c1)Br)C)(O)O AB25255 [1,1,0,0,0,0|1,0,1]=4 723 B11R1.74 B(c1cc(cc(c1)Br)O)(O)O AB76118 [1,1,0,0,0,0|1,0,1]=4 724 B11R1.74 B(c1cc(cc(c1)C)C)(O)O AB04450 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.74 B(c1cc(cc(c1)Cl)C)(O)O AB49144 [1,1,0,0,0,0|1,0,1]=4 726 B11R1.74 B(c1cc(cc(c1)Cl)O)(O)O AB70644 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.74 B(c1cc(cc(c1)F)C)(O)O AB30765 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.74 B(c1cc(cc(c1)F)O)(O)O AB30751 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.74 B(c1cc(cc(c1)N)C)(O)O AB76564 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.74 B(c1cc(cc(c1)O)C)(O)O AB71395 [1,1,0,0,0,0|1,0,1]=4 731 B11R1.74 B(c1cc(cc(c1)O)N)(O)O AB76565 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.74 B(c1cc(cc(c1)O)O)(O)O AB77981 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AB03014 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl AB68467 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.74 CC(=O)c1cc(cc(c1)Br)F AB64734 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.74 CC(=O)c1cc(cc(c1)Br)O AB77772 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AB02007 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AB20622 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O AB66008 [1,1,0,0,0,0|1,0,0]=3 740 B11R1.74 CC(=O)c1cc(cc(c1)F)F AB01921 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.74 CC(=O)c1cc(cc(c1)F)O AB70439 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AB12532 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl AB77751 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.74 CC(=O)c1cc(cc(c1)I)F AB77745 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.74 CC(=O)c1cc(cc(c1)I)I AB77773 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.74 CC(=O)c1cc(cc(c1)I)O AB77786 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.74 CC(=O)c1cc(cc(c1)O)O AB00220 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.74 CC(=O)c1cc(cc(n1)Br)O AB79666 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.74 CC(=O)c1cc(cc(n1)Cl)O AB74857 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.74 CC(=O)c1cc(cc(n1)F)O AB79636 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.74 CC(=O)c1cc(cc(n1)I)O AB79689 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.74 CC(=O)c1cc(cc(n1)O)Br AB79829 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.74 CC(=O)c1cc(cc(n1)O)Cl AB79810 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.74 CC(=O)c1cc(cc(n1)O)F AB79802 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.74 CC(=O)c1cc(cc(n1)O)I AB79848 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.74 CC(=O)c1cc(cc(n1)O)O AB79772 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.74 CC(=O)c1cc(nc(c1)Br)O AB79941 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.74 CC(=O)c1cc(nc(c1)Cl)O AB79929 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.74 CC(=O)c1cc(nc(c1)F)O AB79919 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.74 CC(=O)c1cc(nc(c1)I)O AB79958 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.74 CC(=O)c1cc(nc(c1)O)O AB80025 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [1,1,0,0,0,0|1,0,0]=3 763 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [1,1,0,0,0,0|0,0,0]=2 764 B11R1.74 Cc1cc(cc(c1)Br)[N+](=O)[O-] AB26378 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [1,1,0,0,0,0|1,0,0]=3 766 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [1,1,0,0,0,0|0,0,0]=2 767 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [1,1,0,0,0,0|1,0,0]=3 768 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [1,1,0,0,0,0|0,0,0]=2 769 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [1,1,0,0,0,0|0,0,0]=2 771 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [1,1,0,0,0,0|1,0,0]=3 772 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [1,1,0,0,0,0|0,0,0]=2 773 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [1,1,0,0,0,0|0,0,0]=2 774 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.74 Cc1cc(cc(c1)O)C(=O)N MB23370 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [1,1,0,0,0,0|0,0,0]=2 777 B11R1.74 Cc1cc(cc(n1)Br)C(=O)C AB79932 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.74 Cc1cc(cc(n1)Br)C(=O)O AB66859 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.74 Cc1cc(cc(n1)C(=O)C)Br AB68173 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.74 Cc1cc(cc(n1)C(=O)C)Cl AB66887 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.74 Cc1cc(cc(n1)C(=O)C)F AB79784 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.74 Cc1cc(cc(n1)C(=O)C)I AB79831 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.74 Cc1cc(cc(n1)C(=O)C)O AB79719 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br AB40781 [1,1,0,0,0,0|1,0,0]=3 785 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl AB40799 [1,1,0,0,0,0|1,0,0]=3 786 B11R1.74 Cc1cc(cc(n1)C(=O)O)F AB66868 [1,1,0,0,0,0|1,0,0]=3 787 B11R1.74 Cc1cc(cc(n1)C(=O)O)I AB79386 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.74 Cc1cc(cc(n1)C(=O)O)N AB66550 [1,1,0,0,0,0|1,0,0]=3 789 B11R1.74 Cc1cc(cc(n1)C(=O)O)O AB74941 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.74 Cc1cc(cc(n1)C)C(=O)C AB31118 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.74 Cc1cc(cc(n1)C)C(=O)O AB15854 [1,1,0,0,0,0|1,0,0]=3 792 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)C AB66888 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O PB14103 [1,1,0,0,0,0|1,0,0]=3 794 B11R1.74 Cc1cc(cc(n1)F)C(=O)C AB79910 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.74 Cc1cc(cc(n1)F)C(=O)O AB66869 [1,1,0,0,0,0|1,0,0]=3 796 B11R1.74 Cc1cc(cc(n1)I)C(=O)C AB79945 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.74 Cc1cc(cc(n1)I)C(=O)O AB79514 [1,1,0,0,0,0|1,0,0]=3 798 B11R1.74 Cc1cc(cc(n1)N)C(=O)O PB20783 [1,1,0,0,0,0|1,0,0]=3 799 B11R1.74 Cc1cc(cc(n1)O)C(=O)C AB79988 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.74 Cc1cc(cc(n1)O)C(=O)O AB12186 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.74 Cc1cc(nc(c1)Br)C(=O)C AB79653 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.74 Cc1cc(nc(c1)Br)C(=O)O AB67817 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.74 Cc1cc(nc(c1)C(=O)C)C AB31120 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.74 Cc1cc(nc(c1)C(=O)O)C AB17859 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C AB75104 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O AB52811 [1,1,0,0,0,0|1,0,0]=3 807 B11R1.74 Cc1cc(nc(c1)F)C(=O)C AB79620 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.74 Cc1cc(nc(c1)F)C(=O)O AB67821 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.74 Cc1cc(nc(c1)I)C(=O)C AB79670 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.74 Cc1cc(nc(c1)I)C(=O)O AB79260 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.74 Cc1cc(nc(c1)N)C(=O)O AB67823 [1,1,0,0,0,0|1,0,0]=3 812 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.74 Cc1cc(nc(c1)O)C(=O)O AB13099 [1,1,0,0,0,0|1,0,0]=3 814 B11R1.74 Cc1cc(nc(n1)Cl)C(=O)O AB07382 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AB02139 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AB04625 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AB29578 [1,1,0,0,0,0|1,0,0]=3 818 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AB00229 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AB06860 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AB09246 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AB07872 [1,1,0,0,0,0|1,0,0]=3 822 B11R1.74 c1c(cc(cc1F)F)C(=O)O AB01033 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.74 c1c(cc(cc1F)I)C(=O)O AB20696 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.74 c1c(cc(cc1I)I)C(=O)O AB06171 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.74 c1c(cc(cc1N)Br)C(=O)O AB04992 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AB11542 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.74 c1c(cc(cc1N)F)C(=O)O AB42533 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.74 c1c(cc(cc1N)I)C(=O)O AB02789 [1,1,0,0,0,0|1,0,0]=3 829 B11R1.74 c1c(cc(cc1N)N)C(=O)O AB00898 [1,1,0,0,0,0|1,0,0]=3 830 B11R1.74 c1c(cc(cc1N)O)C(=O)N MB25638 [1,1,0,0,0,0|1,0,0]=3 831 B11R1.74 c1c(cc(cc1N)O)C(=O)O AB29674 [1,1,0,0,0,0|0,0,0]=2 832 B11R1.74 c1c(cc(cc1O)Br)C(=O)N MB25408 [1,1,0,0,0,0|1,0,0]=3 833 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AB29744 [1,1,0,0,0,0|0,0,0]=2 834 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O AB18080 [1,1,0,0,0,0|0,0,0]=2 835 B11R1.74 c1c(cc(cc1O)F)C(=O)N MB34061 [1,1,0,0,0,0|1,0,0]=3 836 B11R1.74 c1c(cc(cc1O)F)C(=O)O AB64637 [1,1,0,0,0,0|0,0,0]=2 837 B11R1.74 c1c(cc(cc1O)I)C(=O)N MB13459 [1,1,0,0,0,0|1,0,0]=3 838 B11R1.74 c1c(cc(cc1O)I)C(=O)O AB02791 [1,1,0,0,0,0|0,0,0]=2 839 B11R1.74 c1c(cc(cc1O)O)C(=O)O AB00234 [1,1,0,0,0,0|0,0,0]=2 840 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O PB18991 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.74 c1c(cc(nc1Br)I)C(=O)O AB79501 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.74 c1c(cc(nc1C(=O)O)Br)Br AB68240 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.74 c1c(cc(nc1C(=O)O)Br)Cl AB67261 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.74 c1c(cc(nc1C(=O)O)Br)F AB68040 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.74 c1c(cc(nc1C(=O)O)Br)I AB79249 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.74 c1c(cc(nc1C(=O)O)Br)N AB67264 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.74 c1c(cc(nc1C(=O)O)Br)O AB79257 [1,1,0,0,0,0|1,0,0]=3 848 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Br AB67958 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl AB55079 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.74 c1c(cc(nc1C(=O)O)Cl)F AB68036 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.74 c1c(cc(nc1C(=O)O)Cl)I AB79242 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.74 c1c(cc(nc1C(=O)O)Cl)N AB67311 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.74 c1c(cc(nc1C(=O)O)Cl)O AB68127 [1,1,0,0,0,0|1,0,0]=3 854 B11R1.74 c1c(cc(nc1C(=O)O)F)Br AB72835 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.74 c1c(cc(nc1C(=O)O)F)Cl AB74912 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.74 c1c(cc(nc1C(=O)O)F)F AB49324 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.74 c1c(cc(nc1C(=O)O)F)I AB79224 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.74 c1c(cc(nc1C(=O)O)F)N AB79232 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.74 c1c(cc(nc1C(=O)O)F)O AB79240 [1,1,0,0,0,0|1,0,0]=3 860 B11R1.74 c1c(cc(nc1C(=O)O)I)Br AB79372 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.74 c1c(cc(nc1C(=O)O)I)Cl AB79366 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.74 c1c(cc(nc1C(=O)O)I)F AB79347 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.74 c1c(cc(nc1C(=O)O)I)N AB79262 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.74 c1c(cc(nc1C(=O)O)I)O AB79273 [1,1,0,0,0,0|1,0,0]=3 865 B11R1.74 c1c(cc(nc1C(=O)O)N)Br AB71729 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.74 c1c(cc(nc1C(=O)O)N)Cl AB67977 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.74 c1c(cc(nc1C(=O)O)N)F AB79355 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.74 c1c(cc(nc1C(=O)O)N)I AB79390 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.74 c1c(cc(nc1C(=O)O)N)N AB79332 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.74 c1c(cc(nc1C(=O)O)N)O AB79330 [1,1,0,0,0,0|1,0,0]=3 871 B11R1.74 c1c(cc(nc1C(=O)O)O)Br AB79382 [1,1,0,0,0,0|1,0,0]=3 872 B11R1.74 c1c(cc(nc1C(=O)O)O)F AB79365 [1,1,0,0,0,0|1,0,0]=3 873 B11R1.74 c1c(cc(nc1C(=O)O)O)I AB79403 [1,1,0,0,0,0|1,0,0]=3 874 B11R1.74 c1c(cc(nc1C(=O)O)O)N AB79465 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.74 c1c(cc(nc1C(=O)O)O)O AB76498 [1,1,0,0,0,0|1,0,0]=3 876 B11R1.74 c1c(cc(nc1Cl)Br)C(=O)O AB66787 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O AB05154 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.74 c1c(cc(nc1Cl)I)C(=O)O AB79494 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.74 c1c(cc(nc1F)Br)C(=O)O AB66790 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.74 c1c(cc(nc1F)Cl)C(=O)O AB66798 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.74 c1c(cc(nc1N)Br)C(=O)O AB67265 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.74 c1c(cc(nc1N)F)C(=O)O AB79483 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.74 c1c(cc(nc1N)I)C(=O)O AB79517 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.74 c1c(cc(nc1N)N)C(=O)O AB66375 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.74 c1c(cc(nc1N)O)C(=O)O AB76516 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.74 c1c(cc(nc1O)Br)C(=O)O AB79511 [1,1,0,0,0,0|1,0,0]=3 887 B11R1.74 c1c(cc(nc1O)Cl)C(=O)O AB41973 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.74 c1c(cc(nc1O)F)C(=O)O AB71296 [1,1,0,0,0,0|1,0,0]=3 889 B11R1.74 c1c(cc(nc1O)I)C(=O)O AB79531 [1,1,0,0,0,0|1,0,0]=3 890 B11R1.74 c1c(cc(nc1O)O)C(=O)O AB00673 [1,1,0,0,0,0|1,0,0]=3 891 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)O MB25580 [1,1,0,0,0,0|1,0,1]=4 892 B11R1.159 B(c1cccc(c1C)C)(O)O AB10380 [1,1,0,0,0,0|1,0,1]=4 893 B11R1.159 B(c1cccc(c1Cl)C)(O)O AB29563 [1,1,0,0,0,0|1,0,1]=4 894 B11R1.159 B(c1cccc(c1F)C)(O)O AB23826 [1,1,0,0,0,0|1,0,1]=4 895 B11R1.159 B(c1cccc(c1F)O)(O)O AB29567 [1,1,0,0,0,0|1,0,1]=4 896 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [1,1,0,0,0,0|1,0,1]=4 897 B11R1.159 CC(=O)c1c(c(ccn1)O)Cl AB75008 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.159 CC(=O)c1ccnc(c1Cl)O AB84065 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.159 CC(=O)c1cncc(c1Cl)O AB83996 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.159 Cc1c(ccnc1Cl)C(=O)O AB71250 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.159 Cc1c(ccnc1F)C(=O)O AB71345 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [1,1,0,0,0,0|1,0,0]=3 917 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] AB14386 [1,1,0,0,0,0|1,0,1]=4 918 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [1,1,0,0,0,0|0,0,0]=2 919 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [1,1,0,0,0,0|1,0,0]=3 920 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [1,1,0,0,0,0|1,0,0]=3 922 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [1,1,0,0,0,0|1,0,0]=3 929 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [1,1,0,0,0,0|1,0,0]=3 931 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [1,1,0,0,0,0|1,0,0]=3 933 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [1,1,0,0,0,0|1,0,0]=3 935 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [1,1,0,0,0,0|1,0,0]=3 937 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [1,1,0,0,0,0|1,0,0]=3 945 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [1,1,0,0,0,0|1,0,0]=3 946 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [1,1,0,0,0,0|1,0,0]=3 947 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [1,1,0,0,0,0|1,0,0]=3 949 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [1,1,0,0,0,0|1,0,0]=3 950 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [1,1,0,0,0,0|1,0,0]=3 951 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [1,1,0,0,0,0|1,0,0]=3 953 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [1,1,0,0,0,0|1,0,0]=3 955 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [1,1,0,0,0,0|1,0,0]=3 957 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [1,1,0,0,0,0|1,0,0]=3 959 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [1,1,0,0,0,0|0,0,0]=2 960 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] MB06573 [1,1,0,0,0,0|1,0,1]=4 961 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [1,1,0,0,0,0|1,0,0]=3 962 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [1,1,0,0,0,0|0,0,0]=2 963 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] MB09030 [1,1,0,0,0,0|1,0,1]=4 964 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [1,1,0,0,0,0|1,0,0]=3 965 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [1,1,0,0,0,0|0,0,0]=2 966 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [1,1,0,0,0,0|0,0,0]=2 967 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [1,1,0,0,0,0|1,0,0]=3 968 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl CB10568 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F AB49339 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.159 c1cnc(c(c1C(=O)O)Cl)N AB83934 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.159 c1cnc(c(c1C(=O)O)Cl)O AB66802 [1,1,0,0,0,0|1,0,0]=3 973 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl AB17057 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.159 c1cnc(c(c1C(=O)O)F)F PB18941 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.159 c1cnc(c(c1C(=O)O)I)Br AB31097 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.159 c1cnc(c(c1C(=O)O)N)Br AB71716 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl AB70618 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.159 c1cnc(c(c1C(=O)O)N)N AB63396 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [1,1,0,0,0,0|1,0,0]=3 987 B11R1.167 B(c1cc(ccc1C)C)(O)O AB10384 [1,1,0,0,0,0|1,0,1]=4 988 B11R1.167 B(c1cc(ccc1Cl)C)(O)O AB26401 [1,1,0,0,0,0|1,0,1]=4 989 B11R1.167 B(c1cc(ccc1Cl)O)(O)O AB48247 [1,1,0,0,0,0|1,0,1]=4 990 B11R1.167 B(c1cc(ccc1F)C)(O)O AB15421 [1,1,0,0,0,0|1,0,1]=4 991 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [1,1,0,0,0,0|1,0,0]=3 997 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [1,1,0,0,0,0|1,0,0]=3 999 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [1,1,0,0,0,0|1,0,0]=3 1000 B11R1.167 Cc1cc(c(cn1)N)C(=O)C AB83789 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [1,1,0,0,0,0|1,0,0]=3 1002 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [1,1,0,0,0,0|1,0,0]=3 1005 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [1,1,0,0,0,0|1,0,0]=3 1007 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [1,1,0,0,0,0|1,0,0]=3 1009 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [1,1,0,0,0,0|1,0,0]=3 1011 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [1,1,0,0,0,0|1,0,0]=3 1013 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [1,1,0,0,0,0|1,0,0]=3 1015 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [1,1,0,0,0,0|1,0,0]=3 1016 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F AB00831 [1,1,0,0,0,0|1,0,1]=4 1017 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N AB00900 [1,1,0,0,0,0|1,0,1]=4 1018 B11R1.167 Cc1ccc(c(n1)C(=O)C)N AB42557 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [1,1,0,0,0,0|1,0,0]=3 1021 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [1,1,0,0,0,0|1,0,0]=3 1022 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [1,1,0,0,0,0|1,0,0]=3 1023 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [1,1,0,0,0,0|1,0,0]=3 1024 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [1,1,0,0,0,0|0,0,0]=2 1025 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [1,1,0,0,0,0|1,0,0]=3 1027 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.167 Cc1cnc(cc1C(=O)O)Cl AB67501 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.167 Cc1cnc(cc1C(=O)O)F AB71348 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.167 Cc1cnc(cc1C(=O)O)N AB63101 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br PB33896 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O AB48781 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.167 c1c(c(cnc1Br)Cl)C(=O)O AB66669 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.167 c1c(c(cnc1Br)F)C(=O)O AB50074 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.167 c1c(c(cnc1Br)N)C(=O)O PB11266 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O AB06268 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O AB20948 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O PB23467 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.167 c1c(c(cnc1F)N)C(=O)O PB14345 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.167 c1c(c(cnc1N)Br)C(=O)O AB53925 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.167 c1c(c(cnc1N)Cl)C(=O)O AB72346 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.167 c1c(c(cnc1N)F)C(=O)O AB72349 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.167 c1c(c(cnc1N)N)C(=O)O AB83416 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [1,1,0,0,0,0|2,0,0]=4 1050 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [1,1,0,0,0,0|2,0,0]=4 1054 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [1,1,0,0,0,0|1,0,0]=3 1064 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [1,1,0,0,0,0|1,0,0]=3 1065 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [1,1,0,0,0,0|1,0,0]=3 1067 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [1,1,0,0,0,0|1,0,0]=3 1068 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [1,1,0,0,0,0|1,0,0]=3 1070 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [1,1,0,0,0,0|1,0,0]=3 1072 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [1,1,0,0,0,0|1,0,0]=3 1073 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [1,1,0,0,0,0|1,0,0]=3 1074 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [1,1,0,0,0,0|1,0,0]=3 1075 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [1,1,0,0,0,0|1,0,0]=3 1076 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [1,1,0,0,0,0|1,0,0]=3 1077 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [1,1,0,0,0,0|0,0,0]=2 1078 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [1,1,0,0,0,0|0,0,0]=2 1079 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [1,1,0,0,0,0|0,0,0]=2 1080 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.9 CCc1cc(cc(c1)O)C=O MB23697 [1,1,0,0,0,0|1,0,0]=3 1089 B11R1.9 CCc1cc(cc(c1)OC)O MB23713 [1,1,0,0,0,0|1,0,1]=4 1090 B11R1.9 CNc1cc(cc(c1)O)C=O MB26342 [1,1,0,0,0,0|1,0,0]=3 1091 B11R1.9 COc1cc(cc(c1)Br)C=O AB29742 [1,1,0,0,0,0|0,0,0]=2 1092 B11R1.9 COc1cc(cc(c1)Br)CCl AB70771 [1,1,0,0,0,0|1,0,1]=4 1093 B11R1.9 COc1cc(cc(c1)Br)CN AB75539 [1,1,0,0,0,0|1,0,1]=4 1094 B11R1.9 COc1cc(cc(c1)Cl)C=O AB43613 [1,1,0,0,0,0|0,0,0]=2 1095 B11R1.9 COc1cc(cc(c1)Cl)CBr MB05603 [1,1,0,0,0,0|1,0,1]=4 1096 B11R1.9 COc1cc(cc(c1)Cl)CCl AB65632 [1,1,0,0,0,0|1,0,1]=4 1097 B11R1.9 COc1cc(cc(c1)Cl)CN AB64550 [1,1,0,0,0,0|1,0,1]=4 1098 B11R1.9 COc1cc(cc(c1)Cl)CO MB05597 [1,1,0,0,0,0|0,0,1]=3 1099 B11R1.9 COc1cc(cc(c1)F)C=O AB48770 [1,1,0,0,0,0|0,0,0]=2 1100 B11R1.9 COc1cc(cc(c1)F)CCl AB66770 [1,1,0,0,0,0|1,0,1]=4 1101 B11R1.9 COc1cc(cc(c1)F)CN AB20688 [1,1,0,0,0,0|1,0,1]=4 1102 B11R1.9 COc1cc(cc(c1)I)C=O AB77657 [1,1,0,0,0,0|0,0,0]=2 1103 B11R1.9 COc1cc(cc(c1)I)CCl AB77557 [1,1,0,0,0,0|1,0,1]=4 1104 B11R1.9 COc1cc(cc(c1)I)CN AB77863 [1,1,0,0,0,0|1,0,1]=4 1105 B11R1.9 COc1cc(cc(c1)N)CN AB75511 [1,1,0,0,0,0|1,0,1]=4 1106 B11R1.9 COc1cc(cc(c1)O)C#N MB09942 [1,1,0,0,0,0|1,0,1]=4 1107 B11R1.9 COc1cc(cc(c1)O)C=O AB71613 [1,1,0,0,0,0|0,0,0]=2 1108 B11R1.9 COc1cc(cc(c1)O)CN AB71627 [1,1,0,0,0,0|1,0,1]=4 1109 B11R1.9 COc1cc(cc(n1)Br)C=O AB67006 [1,1,0,0,0,0|1,0,0]=3 1110 B11R1.9 COc1cc(cc(n1)C=O)Br AB67004 [1,1,0,0,0,0|1,0,0]=3 1111 B11R1.9 COc1cc(cc(n1)C=O)Cl AB66995 [1,1,0,0,0,0|1,0,0]=3 1112 B11R1.9 COc1cc(cc(n1)C=O)F AB78994 [1,1,0,0,0,0|1,0,0]=3 1113 B11R1.9 COc1cc(cc(n1)C=O)I AB79037 [1,1,0,0,0,0|1,0,0]=3 1114 B11R1.9 COc1cc(cc(n1)C=O)O AB78958 [1,1,0,0,0,0|1,0,0]=3 1115 B11R1.9 COc1cc(cc(n1)Cl)C=O AB24808 [1,1,0,0,0,0|1,0,0]=3 1116 B11R1.9 COc1cc(cc(n1)Cl)CO AB49302 [1,1,0,0,0,0|1,0,1]=4 1117 B11R1.9 COc1cc(cc(n1)F)C=O AB71335 [1,1,0,0,0,0|1,0,0]=3 1118 B11R1.9 COc1cc(cc(n1)I)C=O AB79160 [1,1,0,0,0,0|1,0,0]=3 1119 B11R1.9 COc1cc(cc(n1)O)C=O AB79201 [1,1,0,0,0,0|1,0,0]=3 1120 B11R1.9 COc1cc(nc(c1)Br)C=O AB67863 [1,1,0,0,0,0|1,0,0]=3 1121 B11R1.9 COc1cc(nc(c1)Cl)C=O AB67860 [1,1,0,0,0,0|1,0,0]=3 1122 B11R1.9 COc1cc(nc(c1)F)C=O AB78853 [1,1,0,0,0,0|1,0,0]=3 1123 B11R1.9 COc1cc(nc(c1)I)C=O AB78899 [1,1,0,0,0,0|1,0,0]=3 1124 B11R1.9 COc1cc(nc(c1)O)C=O AB79089 [1,1,0,0,0,0|1,0,0]=3 1125 B11R1.9 Cc1cc(cc(c1)C#N)C=O AB75471 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.9 Cc1cc(cc(c1)C=O)C=O AB04437 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.9 Cc1cc(cc(c1)C=O)CCl AB77582 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.9 Cc1cc(cc(c1)OC)C=O AB63000 [1,1,0,0,0,0|0,0,0]=2 1129 B11R1.9 Cc1cc(cc(c1)OC)CBr AB50499 [1,1,0,0,0,0|1,0,1]=4 1130 B11R1.9 Cc1cc(cc(c1)OC)CCl AB75675 [1,1,0,0,0,0|1,0,1]=4 1131 B11R1.9 Cc1cc(cc(c1)OC)CN AB75674 [1,1,0,0,0,0|1,0,1]=4 1132 B11R1.9 Cc1cc(cc(n1)C=O)OC AB75413 [1,1,0,0,0,0|1,0,0]=3 1133 B11R1.9 Cc1cc(cc(n1)OC)C=O AB71378 [1,1,0,0,0,0|1,0,0]=3 1134 B11R1.9 Cc1cc(nc(c1)OC)C=O AB75230 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.9 Cc1cc(nc(n1)OC)C=O AB58697 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.9 c1c(cc(cc1C#N)Br)C=O AB50042 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.9 c1c(cc(cc1C#N)Cl)C=O AB75551 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.9 c1c(cc(cc1C#N)F)C=O AB21501 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.9 c1c(cc(cc1C#N)I)C=O AB77653 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.9 c1c(cc(cc1C#N)O)C=O AB71636 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.9 c1c(cc(cc1C=O)Br)C=O AB48323 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.9 c1c(cc(cc1C=O)Br)CCl AB75460 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.9 c1c(cc(cc1C=O)Cl)C=O AB48325 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.9 c1c(cc(cc1C=O)Cl)CCl AB75463 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.9 c1c(cc(cc1C=O)F)C=O AB48324 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.9 c1c(cc(cc1C=O)F)CCl AB75464 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.9 c1c(cc(cc1C=O)I)C=O AB42476 [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.9 c1c(cc(cc1C=O)I)CCl AB77558 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.9 c1c(cc(cc1C=O)O)C=O AB70418 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.9 c1c(cc(cc1C=O)O)CN MB37188 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.189 C#CCc1cccc(c1)C=O AB61402 [1,1,0,0,0,0|1,0,1]=4 1152 B11R1.189 COc1cc(ccn1)N=C=O AB74179 [1,1,0,0,0,0|1,0,1]=4 1153 B11R1.189 COc1cccc(c1)CC#C AB61395 [1,1,0,0,0,0|1,0,1]=4 1154 B11R1.189 COc1cccc(c1)CC=O AB11807 [1,1,0,0,0,0|0,0,0]=2 1155 B11R1.189 COc1cccc(c1)CNN PB20154 [1,1,0,0,0,0|1,0,1]=4 1156 B11R1.189 COc1cccc(c1)N=C=O AB00186 [1,1,0,0,0,0|0,0,1]=3 1157 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [1,1,0,0,0,0|1,0,0]=3 1158 B11R1.189 c1cc(cc(c1)N=C=O)C=O AB74255 [1,1,0,0,0,0|1,0,1]=4 1159 B11R1.267 CCc1cccc(c1O)C=O MB06560 [1,1,0,0,0,0|1,0,0]=3 1160 B11R1.267 CCc1cccc(c1O)OC MB24092 [1,1,0,0,0,0|1,0,1]=4 1161 B11R1.267 CNc1cccc(c1O)C=O MB27331 [1,1,0,0,0,0|1,0,0]=3 1162 B11R1.267 CNc1cccc(c1O)OC MB37936 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.267 COc1c(c(ccn1)C=O)F AB70965 [1,1,0,0,0,0|1,0,0]=3 1164 B11R1.267 COc1c(c(ccn1)C=O)N AB83587 [1,1,0,0,0,0|1,0,0]=3 1165 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [1,1,0,0,0,0|1,0,0]=3 1166 B11R1.267 COc1cccc(c1F)C=O AB14344 [1,1,0,0,0,0|0,0,0]=2 1167 B11R1.267 COc1cccc(c1I)CO AB63858 [1,1,0,0,0,0|0,0,1]=3 1168 B11R1.267 COc1cccc(c1N)C=O AB55845 [1,1,0,0,0,0|0,0,0]=2 1169 B11R1.267 COc1ccnc(c1N)C=O AB83755 [1,1,0,0,0,0|1,0,0]=3 1170 B11R1.267 COc1ccnc(c1O)C=O AB76798 [1,1,0,0,0,0|1,0,0]=3 1171 B11R1.267 COc1cncc(c1N)C=O AB83653 [1,1,0,0,0,0|1,0,0]=3 1172 B11R1.267 COc1cncc(c1O)C=O AB74864 [1,1,0,0,0,0|1,0,0]=3 1173 B11R1.267 CSc1cccc(c1O)C=O MB33773 [1,1,0,0,0,0|0,1,0]=3 1174 B11R1.267 Cc1c(ccnc1C=O)OC AB40740 [1,1,0,0,0,0|1,0,0]=3 1175 B11R1.267 c1cc(c(c(c1)C#N)O)C=O MB25669 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [1,1,0,0,0,0|1,0,0]=3 1177 B11R1.280 CCc1cc(ccc1O)OC MB23776 [1,1,0,0,0,0|1,0,1]=4 1178 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [1,1,0,0,0,0|1,0,0]=3 1179 B11R1.280 CNc1cc(ccc1O)OC MB34517 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.280 CNc1ccc(c(c1)C=O)O MB33629 [1,1,0,0,0,0|1,0,0]=3 1181 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.280 COc1c(ccc(n1)C=O)F AB70966 [1,1,0,0,0,0|1,0,0]=3 1183 B11R1.280 COc1cc(c(cn1)Br)C=O AB66667 [1,1,0,0,0,0|1,0,0]=3 1184 B11R1.280 COc1cc(c(cn1)Cl)C=O AB64857 [1,1,0,0,0,0|1,0,0]=3 1185 B11R1.280 COc1cc(c(cn1)N)C=O AB83631 [1,1,0,0,0,0|1,0,0]=3 1186 B11R1.280 COc1cc(c(cn1)O)C=O AB69287 [1,1,0,0,0,0|1,0,0]=3 1187 B11R1.280 COc1cc(c(nc1)F)C=O AB71336 [1,1,0,0,0,0|1,0,0]=3 1188 B11R1.280 COc1cc(c(nc1)N)C=O AB75279 [1,1,0,0,0,0|1,0,0]=3 1189 B11R1.280 COc1cc(c(nc1)O)C=O AB84508 [1,1,0,0,0,0|1,0,0]=3 1190 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [1,1,0,0,0,0|0,0,0]=2 1191 B11R1.280 COc1cc(ccc1N)C=O AB54813 [1,1,0,0,0,0|0,0,0]=2 1192 B11R1.280 COc1cc(ccc1N)CO AB44207 [1,1,0,0,0,0|0,0,1]=3 1193 B11R1.280 COc1cc(ccc1O)SC MB01847 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.280 COc1cc(cnc1Cl)C=O AB67544 [1,1,0,0,0,0|1,0,0]=3 1195 B11R1.280 COc1cc(cnc1F)C=O AB73653 [1,1,0,0,0,0|1,0,0]=3 1196 B11R1.280 COc1ccc(c(c1)C#N)N MB03446 [1,1,0,0,0,0|1,0,1]=4 1197 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [1,1,0,0,0,0|1,0,1]=4 1198 B11R1.280 COc1ccc(c(c1)C=O)N AB58425 [1,1,0,0,0,0|0,0,0]=2 1199 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [1,1,0,0,0,0|1,0,1]=4 1200 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.280 COc1ccc(c(n1)C=O)Br AB69237 [1,1,0,0,0,0|1,0,0]=3 1203 B11R1.280 COc1ccc(c(n1)C=O)Cl AB68193 [1,1,0,0,0,0|1,0,0]=3 1204 B11R1.280 COc1ccc(c(n1)C=O)N AB83722 [1,1,0,0,0,0|1,0,0]=3 1205 B11R1.280 COc1ccc(c(n1)C=O)O AB71438 [1,1,0,0,0,0|1,0,0]=3 1206 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [1,1,0,0,0,0|0,1,0]=3 1207 B11R1.280 CSc1ccc(c(c1)C=O)O MB02696 [1,1,0,0,0,0|0,1,0]=3 1208 B11R1.280 c1cc(c(cc1C#N)C=O)F AB21508 [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.280 c1cc(c(cc1C#N)C=O)O MB07859 [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.280 c1cc(c(cc1C=O)C#N)F CB10572 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.280 c1cc(c(cc1CN)C=O)O MB30824 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.48 Cn1cc(nc1OC)C(=O)O AB66833 [0,1,0,0,1,0|2,0,0]=4 1215 B13R1.56 COc1cc(cc(c1)Br)CC(=O)O AB75542 [0,1,0,0,0,1|0,0,0]=2 1216 B13R1.56 COc1cc(cc(c1)Cl)CC(=O)O AB75571 [0,1,0,0,0,1|0,0,0]=2 1217 B13R1.56 COc1cc(cc(c1)F)CC(=O)O AB48774 [0,1,0,0,0,1|0,0,0]=2 1218 B13R1.56 COc1cc(cc(c1)I)CC(=O)O AB76825 [0,1,0,0,0,1|0,0,0]=2 1219 B13R1.56 COc1cc(cc(c1)N)CC(=O)O AB75512 [0,1,0,0,0,1|0,0,0]=2 1220 B13R1.56 COc1cc(cc(c1)O)CC(=O)O AB75634 [0,1,0,0,0,1|0,0,0]=2 1221 B13R1.56 COc1cc(cc(n1)Br)CC(=O)O AB81778 [0,1,0,0,0,1|1,0,0]=3 1222 B13R1.56 COc1cc(cc(n1)CC(=O)O)Br AB81627 [0,1,0,0,0,1|1,0,0]=3 1223 B13R1.56 COc1cc(cc(n1)CC(=O)O)Cl AB75757 [0,1,0,0,0,1|1,0,0]=3 1224 B13R1.56 COc1cc(cc(n1)CC(=O)O)F AB81585 [0,1,0,0,0,1|1,0,0]=3 1225 B13R1.56 COc1cc(cc(n1)CC(=O)O)I AB81645 [0,1,0,0,0,1|1,0,0]=3 1226 B13R1.56 COc1cc(cc(n1)CC(=O)O)N AB81515 [0,1,0,0,0,1|1,0,0]=3 1227 B13R1.56 COc1cc(cc(n1)CC(=O)O)O AB81528 [0,1,0,0,0,1|1,0,0]=3 1228 B13R1.56 COc1cc(cc(n1)Cl)CC(=O)O AB71021 [0,1,0,0,0,1|1,0,0]=3 1229 B13R1.56 COc1cc(cc(n1)F)CC(=O)O AB71340 [0,1,0,0,0,1|1,0,0]=3 1230 B13R1.56 COc1cc(cc(n1)I)CC(=O)O AB81797 [0,1,0,0,0,1|1,0,0]=3 1231 B13R1.56 COc1cc(cc(n1)N)CC(=O)O AB81845 [0,1,0,0,0,1|1,0,0]=3 1232 B13R1.56 COc1cc(cc(n1)O)CC(=O)O AB81855 [0,1,0,0,0,1|1,0,0]=3 1233 B13R1.56 COc1cc(nc(c1)Br)CC(=O)O AB81439 [0,1,0,0,0,1|1,0,0]=3 1234 B13R1.56 COc1cc(nc(c1)Cl)CC(=O)O AB75759 [0,1,0,0,0,1|1,0,0]=3 1235 B13R1.56 COc1cc(nc(c1)F)CC(=O)O AB81399 [0,1,0,0,0,1|1,0,0]=3 1236 B13R1.56 COc1cc(nc(c1)I)CC(=O)O AB81453 [0,1,0,0,0,1|1,0,0]=3 1237 B13R1.56 COc1cc(nc(c1)N)CC(=O)O AB81546 [0,1,0,0,0,1|1,0,0]=3 1238 B13R1.56 COc1cc(nc(c1)O)CC(=O)O AB81720 [0,1,0,0,0,1|1,0,0]=3 1239 B13R1.56 Cc1cc(cc(c1)C#N)CC(=O)O AB75618 [0,1,0,0,0,1|2,0,0]=4 1240 B13R1.56 Cc1cc(cc(c1)C=O)CC(=O)O AB78126 [0,1,0,0,0,1|2,0,0]=4 1241 B13R1.56 Cc1cc(cc(c1)OC)CC(=O)O AB09720 [0,1,0,0,0,1|0,0,0]=2 1242 B13R1.56 Cc1cc(cc(n1)CC(=O)O)OC AB81490 [0,1,0,0,0,1|1,0,0]=3 1243 B13R1.56 Cc1cc(cc(n1)OC)CC(=O)O AB71381 [0,1,0,0,0,1|1,0,0]=3 1244 B13R1.56 Cc1cc(nc(c1)OC)CC(=O)O AB81685 [0,1,0,0,0,1|1,0,0]=3 1245 B13R1.56 c1c(cc(cc1C#N)Br)CC(=O)O AB75526 [0,1,0,0,0,1|2,0,0]=4 1246 B13R1.56 c1c(cc(cc1C#N)Cl)CC(=O)O AB75560 [0,1,0,0,0,1|2,0,0]=4 1247 B13R1.56 c1c(cc(cc1C#N)F)CC(=O)O AB75590 [0,1,0,0,0,1|2,0,0]=4 1248 B13R1.56 c1c(cc(cc1C#N)I)CC(=O)O AB78101 [0,1,0,0,0,1|2,0,0]=4 1249 B13R1.56 c1c(cc(cc1C#N)N)CC(=O)O AB78114 [0,1,0,0,0,1|2,0,0]=4 1250 B13R1.56 c1c(cc(cc1C#N)O)CC(=O)O AB75592 [0,1,0,0,0,1|2,0,0]=4 1251 B13R1.56 c1c(cc(cc1C=O)Br)CC(=O)O AB78095 [0,1,0,0,0,1|2,0,0]=4 1252 B13R1.56 c1c(cc(cc1C=O)Cl)CC(=O)O AB78090 [0,1,0,0,0,1|2,0,0]=4 1253 B13R1.56 c1c(cc(cc1C=O)F)CC(=O)O AB78086 [0,1,0,0,0,1|2,0,0]=4 1254 B13R1.56 c1c(cc(cc1C=O)I)CC(=O)O AB78103 [0,1,0,0,0,1|2,0,0]=4 1255 B13R1.56 c1c(cc(cc1C=O)O)CC(=O)O AB78168 [0,1,0,0,0,1|2,0,0]=4 1256 B13R1.80 COc1cccc(c1)CS(=O)(=O)Cl MB04732 [0,1,0,0,0,1|1,0,1]=4 1257 B13R1.81 COc1cccc(c1)CC(=N)OC AB60930 [0,1,0,0,0,1|1,0,0]=3 1258 B13R1.587 B(c1cccc(c1)CC(=O)O)(O)O AB48581 [0,1,0,0,0,1|2,0,0]=4 1259 B13R1.587 c1cc(cc(c1)C(=N)N)CC(=O)O AB18254 [0,1,0,0,0,1|2,0,0]=4 1260 B13R1.587 c1cc(cc(c1)[N+](=O)[O-])CC(=O)O PB15594 [0,1,0,0,0,1|2,0,0]=4 1261 B13R1.642 COc1cccc(c1)C(C(=O)O)N AB11969 [0,1,0,0,0,1|0,0,0]=2 1262 B13R1.642 COc1cccc(c1)[C@@H](C(=O)O)N AB32862 [0,1,0,0,0,1|0,0,0]=2 1263 B13R1.642 COc1cccc(c1)[C@H](C(=O)O)N AB32860 [0,1,0,0,0,1|0,0,0]=2 1264 B13R1.31 B(c1cc(cc(c1)Br)OCC)(O)O AB32198 [0,2,0,0,0,0|1,0,1]=4 1265 B13R1.31 B(c1cc(cc(c1)F)OCC)(O)O AB30753 [0,2,0,0,0,0|1,0,1]=4 1266 B13R1.31 CC(=O)c1cc(cc(c1)N)CCN AB78317 [0,2,0,0,0,0|2,0,0]=4 1267 B13R1.31 CC(=O)c1cc(cc(c1)O)CCN AB78343 [0,2,0,0,0,0|2,0,0]=4 1268 B13R1.57 COc1cc(cc(c1)Br)S(=O)(=O)Cl AB75467 [0,2,0,0,0,0|1,0,1]=4 1269 B13R1.57 COc1cc(cc(c1)Cl)S(=O)(=O)Cl AB75570 [0,2,0,0,0,0|1,0,1]=4 1270 B13R1.57 COc1cc(cc(c1)I)S(=O)(=O)Cl AB78004 [0,2,0,0,0,0|1,0,1]=4 1271 B13R1.57 COc1cc(cc(c1)S(=O)(=O)Cl)F AB66767 [0,2,0,0,0,0|1,0,1]=4 1272 B13R1.57 COc1cc(cc(c1)S(=O)(=O)N)O MB31748 [0,2,0,0,0,0|1,0,1]=4 1273 B13R1.57 Cc1cc(cc(c1)S(=O)(=O)Cl)OC AB75436 [0,2,0,0,0,0|1,0,1]=4 1274 B13R1.126 B(c1cc(cc(c1)Br)C(=O)O)(O)O AB48251 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.126 B(c1cc(cc(c1)F)C(=O)O)(O)O AB30780 [0,2,0,0,0,0|2,0,0]=4 1276 B13R1.126 B(c1cc(cc(c1)N)C(=O)O)(O)O AB11189 [0,2,0,0,0,0|2,0,0]=4 1277 B13R1.126 CC(=O)c1cc(cc(c1)Br)C(=O)C AB77771 [0,2,0,0,0,0|2,0,0]=4 1278 B13R1.126 CC(=O)c1cc(cc(c1)Br)C(=O)O AB77713 [0,2,0,0,0,0|1,0,0]=3 1279 B13R1.126 CC(=O)c1cc(cc(c1)Cl)C(=O)C AB77761 [0,2,0,0,0,0|2,0,0]=4 1280 B13R1.126 CC(=O)c1cc(cc(c1)Cl)C(=O)O AB77708 [0,2,0,0,0,0|1,0,0]=3 1281 B13R1.126 CC(=O)c1cc(cc(c1)F)C(=O)C AB77749 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.126 CC(=O)c1cc(cc(c1)F)C(=O)O AB77706 [0,2,0,0,0,0|1,0,0]=3 1283 B13R1.126 CC(=O)c1cc(cc(c1)I)C(=O)C AB77781 [0,2,0,0,0,0|2,0,0]=4 1284 B13R1.126 CC(=O)c1cc(cc(c1)I)C(=O)O AB77718 [0,2,0,0,0,0|1,0,0]=3 1285 B13R1.126 CC(=O)c1cc(cc(c1)N)C(=O)O AB76301 [0,2,0,0,0,0|1,0,0]=3 1286 B13R1.126 CC(=O)c1cc(cc(c1)O)C(=O)C AB77841 [0,2,0,0,0,0|2,0,0]=4 1287 B13R1.126 CC(=O)c1cc(cc(c1)O)C(=O)O AB77742 [0,2,0,0,0,0|1,0,0]=3 1288 B13R1.126 CC(=O)c1cc(cc(n1)Br)C(=O)O AB79509 [0,2,0,0,0,0|2,0,0]=4 1289 B13R1.126 CC(=O)c1cc(cc(n1)C(=O)O)Br AB79379 [0,2,0,0,0,0|2,0,0]=4 1290 B13R1.126 CC(=O)c1cc(cc(n1)C(=O)O)Cl AB79370 [0,2,0,0,0,0|2,0,0]=4 1291 B13R1.126 CC(=O)c1cc(cc(n1)C(=O)O)F AB79362 [0,2,0,0,0,0|2,0,0]=4 1292 B13R1.126 CC(=O)c1cc(cc(n1)C(=O)O)I AB79398 [0,2,0,0,0,0|2,0,0]=4 1293 B13R1.126 CC(=O)c1cc(cc(n1)C(=O)O)N AB79463 [0,2,0,0,0,0|2,0,0]=4 1294 B13R1.126 CC(=O)c1cc(cc(n1)C(=O)O)O AB79346 [0,2,0,0,0,0|2,0,0]=4 1295 B13R1.126 CC(=O)c1cc(cc(n1)Cl)C(=O)O AB79500 [0,2,0,0,0,0|2,0,0]=4 1296 B13R1.126 CC(=O)c1cc(cc(n1)F)C(=O)O AB79492 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.126 CC(=O)c1cc(cc(n1)I)C(=O)O AB79527 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.126 CC(=O)c1cc(cc(n1)N)C(=O)O AB79589 [0,2,0,0,0,0|2,0,0]=4 1299 B13R1.126 CC(=O)c1cc(cc(n1)O)C(=O)O AB79607 [0,2,0,0,0,0|2,0,0]=4 1300 B13R1.126 CC(=O)c1cc(nc(c1)Br)C(=O)O AB79256 [0,2,0,0,0,0|2,0,0]=4 1301 B13R1.126 CC(=O)c1cc(nc(c1)Cl)C(=O)O AB79246 [0,2,0,0,0,0|2,0,0]=4 1302 B13R1.126 CC(=O)c1cc(nc(c1)F)C(=O)O AB79236 [0,2,0,0,0,0|2,0,0]=4 1303 B13R1.126 CC(=O)c1cc(nc(c1)I)C(=O)O AB79271 [0,2,0,0,0,0|2,0,0]=4 1304 B13R1.126 CC(=O)c1cc(nc(c1)N)C(=O)O AB79327 [0,2,0,0,0,0|2,0,0]=4 1305 B13R1.126 CC(=O)c1cc(nc(c1)O)C(=O)O AB79480 [0,2,0,0,0,0|2,0,0]=4 1306 B13R1.126 CC(C)c1cc(cc(c1)O)C(=O)N MB22389 [0,2,0,0,0,0|2,0,0]=4 1307 B13R1.126 CC(C)c1cc(cc(c1)O)C(=O)O MB22401 [0,2,0,0,0,0|1,0,0]=3 1308 B13R1.126 CN(C)c1cc(cc(c1)O)C(=O)N MB24717 [0,2,0,0,0,0|2,0,0]=4 1309 B13R1.126 CN(C)c1cc(cc(c1)O)C(=O)O MB24724 [0,2,0,0,0,0|1,0,0]=3 1310 B13R1.126 Cc1cc(cc(c1)C(=O)C)C(=O)C AB77807 [0,2,0,0,0,0|2,0,0]=4 1311 B13R1.126 Cc1cc(cc(c1)C(=O)O)C(=O)C AB77723 [0,2,0,0,0,0|1,0,0]=3 1312 B13R1.126 Cc1cc(cc(c1)[N+](=O)[O-])C(=O)O AB03662 [0,2,0,0,0,0|2,0,0]=4 1313 B13R1.126 Cc1cc(cc(n1)C(=O)C)C(=O)O AB79559 [0,2,0,0,0,0|2,0,0]=4 1314 B13R1.126 Cc1cc(cc(n1)C(=O)O)C(=O)C AB79296 [0,2,0,0,0,0|2,0,0]=4 1315 B13R1.126 Cc1cc(nc(c1)C(=O)O)C(=O)C AB79429 [0,2,0,0,0,0|2,0,0]=4 1316 B13R1.126 c1c(cc(cc1C(=O)O)O)C(=O)N MB32641 [0,2,0,0,0,0|2,0,0]=4 1317 B13R1.126 c1c(cc(cc1N)[N+](=O)[O-])C(=O)O AB01230 [0,2,0,0,0,0|2,0,0]=4 1318 B13R1.126 c1c(cc(cc1[N+](=O)[O-])Br)C(=O)O AB03379 [0,2,0,0,0,0|2,0,0]=4 1319 B13R1.126 c1c(cc(cc1[N+](=O)[O-])Cl)C(=O)O AB50171 [0,2,0,0,0,0|2,0,0]=4 1320 B13R1.126 c1c(cc(cc1[N+](=O)[O-])F)C(=O)O AB22763 [0,2,0,0,0,0|2,0,0]=4 1321 B13R1.126 c1c(cc(cc1[N+](=O)[O-])I)C(=O)O PB10072 [0,2,0,0,0,0|2,0,0]=4 1322 B13R1.126 c1c(cc(cc1[N+](=O)[O-])O)C(=O)O AB08254 [0,2,0,0,0,0|2,0,0]=4 1323 B13R1.298 B(c1cc(c(c(c1)F)F)OC)(O)O AB54702 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.298 COc1cc(cc(c1F)F)C(=O)O AB21041 [0,2,0,0,0,0|0,0,0]=2 1325 B13R1.298 COc1cc(cc(c1N)S)C(=O)O AB63831 [0,2,0,0,0,0|0,0,0]=2 1326 B13R1.313 B(c1cc(cc(c1)OC)C#N)(O)O AB75608 [0,2,0,0,0,0|1,0,1]=4 1327 B13R1.313 B(c1cc(cc(c1)OC)C=O)(O)O AB76466 [0,2,0,0,0,0|1,0,1]=4 1328 B13R1.313 B(c1cc(cc(c1)OC)OC)(O)O AB13500 [0,2,0,0,0,0|1,0,1]=4 1329 B13R1.313 CC(=O)c1cc(cc(c1)OC)C#N AB77791 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.313 CC(=O)c1cc(cc(c1)OC)C=O AB77684 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.313 CC(=O)c1cc(cc(c1)OC)CCl AB77604 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.313 CC(=O)c1cc(cc(c1)OC)OC AB00953 [0,2,0,0,0,0|1,0,0]=3 1333 B13R1.313 CC(=O)c1cc(cc(n1)C#N)OC AB79696 [0,2,0,0,0,0|2,0,0]=4 1334 B13R1.313 CC(=O)c1cc(cc(n1)C=O)OC AB79086 [0,2,0,0,0,0|2,0,0]=4 1335 B13R1.313 CC(=O)c1cc(cc(n1)CCl)OC AB78658 [0,2,0,0,0,0|2,0,0]=4 1336 B13R1.313 CC(=O)c1cc(cc(n1)OC)C#N AB79854 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.313 CC(=O)c1cc(cc(n1)OC)C=O AB79198 [0,2,0,0,0,0|2,0,0]=4 1338 B13R1.313 CC(=O)c1cc(cc(n1)OC)CCl AB78806 [0,2,0,0,0,0|2,0,0]=4 1339 B13R1.313 CC(=O)c1cc(cc(n1)OC)OC AB77345 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.313 CC(=O)c1cc(nc(c1)OC)C#N AB79966 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.313 CC(=O)c1cc(nc(c1)OC)C=O AB78956 [0,2,0,0,0,0|2,0,0]=4 1342 B13R1.313 CC(=O)c1cc(nc(c1)OC)CCl AB78482 [0,2,0,0,0,0|2,0,0]=4 1343 B13R1.313 CC(=O)c1cc(nc(c1)OC)OC AB80001 [0,2,0,0,0,0|2,0,0]=4 1344 B13R1.313 COc1cc(cc(c1)C(=O)O)C#N AB75600 [0,2,0,0,0,0|0,0,0]=2 1345 B13R1.313 COc1cc(cc(c1)C(=O)O)C=O AB62855 [0,2,0,0,0,0|0,0,0]=2 1346 B13R1.313 COc1cc(cc(c1)OC)C(=N)N AB18269 [0,2,0,0,0,0|2,0,0]=4 1347 B13R1.313 COc1cc(cc(c1)OC)C(=O)O AB00230 [0,2,0,0,0,0|0,0,0]=2 1348 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])C=O AB49494 [0,2,0,0,0,0|1,0,1]=4 1349 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])CCl AB75680 [0,2,0,0,0,0|1,0,1]=4 1350 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])CN AB75678 [0,2,0,0,0,0|1,0,1]=4 1351 B13R1.313 COc1cc(cc(n1)C#N)C(=O)O AB79539 [0,2,0,0,0,0|1,0,0]=3 1352 B13R1.313 COc1cc(cc(n1)C(=O)O)C#N AB79411 [0,2,0,0,0,0|1,0,0]=3 1353 B13R1.313 COc1cc(cc(n1)C(=O)O)C=O AB79312 [0,2,0,0,0,0|1,0,0]=3 1354 B13R1.313 COc1cc(cc(n1)C=O)C(=O)O AB79571 [0,2,0,0,0,0|1,0,0]=3 1355 B13R1.313 COc1cc(cc(n1)OC)C(=O)O AB74948 [0,2,0,0,0,0|1,0,0]=3 1356 B13R1.313 COc1cc(nc(c1)C(=O)O)C#N AB79279 [0,2,0,0,0,0|1,0,0]=3 1357 B13R1.313 COc1cc(nc(c1)C(=O)O)C=O AB79445 [0,2,0,0,0,0|1,0,0]=3 1358 B13R1.313 COc1cc(nc(c1)OC)C(=O)O AB74705 [0,2,0,0,0,0|1,0,0]=3 1359 B13R1.313 COc1cc(nc(n1)C(=O)O)OC PB32347 [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.313 c1c(cc(cc1C#N)C(=O)O)C#N AB76518 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.313 c1c(cc(cc1C#N)C(=O)O)C=O AB77719 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.313 c1c(cc(cc1C=O)C(=O)O)C=O AB77738 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.314 CCc1cc(cc(c1)O)C(=O)NC MB23675 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O MB25208 [0,2,0,0,0,0|1,0,0]=3 1365 B13R1.314 CNC(=O)c1cc(cc(c1)SC)O MB25210 [0,2,0,0,0,0|1,1,0]=4 1366 B13R1.314 CNc1cc(cc(c1)O)C(=O)NC MB28868 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.314 COC(=O)c1cc(cc(c1)Br)C=O AB76746 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.314 COC(=O)c1cc(cc(c1)Br)CCl AB77546 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.314 COC(=O)c1cc(cc(c1)Br)CN AB77855 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.314 COC(=O)c1cc(cc(c1)Cl)C=O AB77645 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.314 COC(=O)c1cc(cc(c1)Cl)CCl AB77539 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.314 COC(=O)c1cc(cc(c1)Cl)CN AB77850 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.314 COC(=O)c1cc(cc(c1)F)C=O AB77640 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.314 COC(=O)c1cc(cc(c1)F)CCl AB77531 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.314 COC(=O)c1cc(cc(c1)F)CN AB76561 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.314 COC(=O)c1cc(cc(c1)I)C=O AB77658 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.314 COC(=O)c1cc(cc(c1)I)CCl AB77561 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.314 COC(=O)c1cc(cc(c1)I)CN AB77869 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.314 COC(=O)c1cc(cc(c1)N)CN AB76560 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.314 COC(=O)c1cc(cc(c1)O)C=O AB77704 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.314 COC(=O)c1cc(cc(c1)O)CN AB77923 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.314 COc1cc(cc(n1)C(=O)OC)O AB67040 [0,2,0,0,0,0|1,0,0]=3 1383 B13R1.314 COc1cc(cc(n1)Cl)C(=O)OC AB04382 [0,2,0,0,0,0|1,0,0]=3 1384 B13R1.314 COc1cc(cc(n1)O)C(=O)OC AB67043 [0,2,0,0,0,0|1,0,0]=3 1385 B13R1.314 COc1cc(nc(c1)O)C(=O)OC AB67880 [0,2,0,0,0,0|1,0,0]=3 1386 B13R1.314 COc1cc(nc(n1)Cl)C(=O)OC MB08267 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.314 Cc1cc(cc(c1)C(=O)OC)C=O AB77674 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.314 Cc1cc(cc(c1)C(=O)OC)CCl AB77585 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.314 Cc1cc(cc(c1)C(=O)OC)CN AB77886 [0,2,0,0,0,0|2,0,0]=4 1390 B13R1.314 Cc1cc(cc(c1)OC)C(=O)OC MB07769 [0,2,0,0,0,0|0,0,0]=2 1391 B13R1.437 Cc1cc(cc(c1N)C(=O)O)C#N AB71740 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.13 B(c1cc(ccc1F)C(=O)O)(O)O AB44936 [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.13 B(c1ccc(c(c1)C(=O)O)Cl)(O)O AB30086 [0,2,0,0,0,0|2,0,0]=4 1394 B13R1.13 B(c1ccc(c(c1)C(=O)O)F)(O)O AB13504 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.13 CC(=O)c1c(ccc(n1)C(=O)O)N AB83849 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.13 CC(=O)c1c(ccc(n1)C(=O)O)O AB84305 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.13 CC(=O)c1cc(c(cn1)N)C(=O)O AB83403 [0,2,0,0,0,0|2,0,0]=4 1398 B13R1.13 CC(=O)c1cc(c(nc1)N)C(=O)O AB83492 [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.13 CC(=O)c1cc(cnc1N)C(=O)O AB83836 [0,2,0,0,0,0|2,0,0]=4 1400 B13R1.13 CC(=O)c1cc(cnc1O)C(=O)O AB84268 [0,2,0,0,0,0|2,0,0]=4 1401 B13R1.13 CC(=O)c1cc(ncc1N)C(=O)O AB83795 [0,2,0,0,0,0|2,0,0]=4 1402 B13R1.13 CC(=O)c1cc(ncc1O)C(=O)O AB84164 [0,2,0,0,0,0|2,0,0]=4 1403 B13R1.13 CC(=O)c1ccc(c(n1)C(=O)O)N AB83536 [0,2,0,0,0,0|2,0,0]=4 1404 B13R1.13 CC(C)c1cc(ccc1O)C(=O)N MB22354 [0,2,0,0,0,0|2,0,0]=4 1405 B13R1.13 CC(C)c1cc(ccc1O)C(=O)O MB22358 [0,2,0,0,0,0|1,0,0]=3 1406 B13R1.13 CC(C)c1ccc(c(c1)C(=O)N)O MB11925 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.13 CC(C)c1ccc(c(c1)C(=O)O)O MB09461 [0,2,0,0,0,0|1,0,0]=3 1408 B13R1.13 CC(C)c1ccc(c(n1)C(=O)O)N AB77168 [0,2,0,0,0,0|2,0,0]=4 1409 B13R1.13 CN(C)c1cc(ccc1O)C(=O)N MB24682 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.13 CN(C)c1cc(ccc1O)C(=O)O MB24683 [0,2,0,0,0,0|1,0,0]=3 1411 B13R1.13 CN(C)c1ccc(c(c1)C(=O)N)O MB24837 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.13 CN(C)c1ccc(c(c1)C(=O)O)O MB24841 [0,2,0,0,0,0|1,0,0]=3 1413 B13R1.13 c1cc(c(cc1C(=O)N)C(=O)O)O MB32738 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)N)O MB30981 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])F AB00828 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.49 CCc1cc(ccc1O)C(=O)NC MB23632 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.49 CCc1cc(ccc1O)C(=O)OC MB05558 [0,2,0,0,0,0|1,0,0]=3 1418 B13R1.49 CNC(=O)c1ccc(c(c1)SC)O MB33967 [0,2,0,0,0,0|1,1,0]=4 1419 B13R1.49 CNc1cc(ccc1O)C(=O)NC MB26316 [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.49 COc1cc(ccc1I)C(=O)OC AB31122 [0,2,0,0,0,0|0,0,0]=2 1421 B13R1.49 COc1cc(cnc1N)C(=O)OC AB65595 [0,2,0,0,0,0|1,0,0]=3 1422 B13R1.49 Cc1ccc(cc1OC)C(=O)OC AB03124 [0,2,0,0,0,0|0,0,0]=2 1423 B13R1.354 B(c1ccc(c(c1)OCC)Cl)(O)O AB48431 [0,2,0,0,0,0|1,0,1]=4 1424 B13R1.651 B(c1cc(c(cc1Br)Br)OC)(O)O AB26492 [0,2,0,0,0,0|1,0,1]=4 1425 B13R1.651 B(c1cc(c(cc1Cl)Br)OC)(O)O AB26498 [0,2,0,0,0,0|1,0,1]=4 1426 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] CB10684 [0,2,0,0,0,0|1,0,1]=4 1427 B13R1.651 COc1cc(c(cc1F)N)C(=O)O PB24212 [0,2,0,0,0,0|0,0,0]=2 1428 B13R1.3091 B(c1ccc(c(c1)OC)C#N)(O)O AB57851 [0,2,0,0,0,0|1,0,1]=4 1429 B13R1.3091 B(c1ccc(c(c1)OC)C=O)(O)O AB59583 [0,2,0,0,0,0|1,0,1]=4 1430 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O AB08049 [0,2,0,0,0,0|1,0,1]=4 1431 B13R1.3091 COc1cc(ccc1CBr)[N+](=O)[O-] AB50449 [0,2,0,0,0,0|1,0,1]=4 1432 B13R1.3091 COc1cc(ccc1CN)C(=O)O AB21166 [0,2,0,0,0,0|0,0,0]=2 1433 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] AB44873 [0,2,0,0,0,0|1,0,1]=4 1434 B13R1.3091 COc1ccc(cc1OC)C(=N)N AB09711 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.3230 B(c1ccc(c(c1C)OC)C)(O)O AB29391 [0,2,0,0,0,0|1,0,1]=4 1436 B13R1.3230 Cc1cnc(c(c1OC)C)C(=O)O PB31061 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.345 CC(C)(C)c1cc(ccn1)C(=O)O AB17856 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.543 B(c1cccc(c1)C(=O)OC)(O)O AB10721 [0,2,0,0,0,0|1,0,1]=4 1439 B13R1.543 COC(=N)c1cccc(c1)[N+](=O)[O-] AB60990 [0,2,0,0,0,0|1,0,1]=4 1440 B13R1.543 COC(=O)c1cc(cnc1)C(=O)O AB31493 [0,2,0,0,0,0|1,0,0]=3 1441 B13R1.543 COC(=O)c1cccc(c1)C(=N)N AB25173 [0,2,0,0,0,0|2,0,0]=4 1442 B13R1.3801 B(c1cccc(c1F)C(=O)O)(O)O AB13503 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.3801 CC(=O)c1c(c(ccn1)C(=O)O)N AB83374 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.3801 CC(=O)c1c(c(ccn1)C(=O)O)O AB84349 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.3801 CC(=O)c1ccnc(c1N)C(=O)O AB83581 [0,2,0,0,0,0|2,0,0]=4 1446 B13R1.3801 CC(=O)c1ccnc(c1O)C(=O)O AB84125 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.3801 CC(=O)c1cncc(c1N)C(=O)O AB83425 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.3801 CC(=O)c1cncc(c1O)C(=O)O AB84193 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.3801 CC(C)c1cccc(c1O)C(=O)N MB22607 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.3801 CN(C)c1cccc(c1O)C(=O)N MB24915 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.3801 CN(C)c1cccc(c1O)C(=O)O MB24917 [0,2,0,0,0,0|1,0,0]=3 1452 B13R1.3801 c1cc(c(c(c1)C(=O)O)N)C(=O)O MB01489 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.3801 c1cc(c(c(c1)C(=O)O)O)C(=O)N MB29100 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.3801 c1cc(c(c(c1)C(=O)O)O)C(=O)O MB02024 [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.3801 c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O AB01432 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.374 COC(=O)c1cccc(c1)CC#N CB11039 [0,2,0,0,0,0|1,0,1]=4 1457 B13R1.374 COC(=O)c1cccc(c1)N=C=O AB01580 [0,2,0,0,0,0|1,0,1]=4 1458 B13R1.377 B(c1cccc(c1F)OCC)(O)O AB29791 [0,2,0,0,0,0|1,0,1]=4 1459 B13R1.387 B(c1cc(ccc1F)OCC)(O)O AB22356 [0,2,0,0,0,0|1,0,1]=4 1460 B13R1.568 B(c1cccc(c1)OCCC)(O)O AB15057 [0,2,0,0,0,0|1,0,1]=4 1461 B13R1.82 CCc1cccc(c1O)C(=O)NC MB24000 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.82 CNC(=O)c1cccc(c1O)OC MB09394 [0,2,0,0,0,0|1,0,0]=3 1463 B13R1.82 CNC(=O)c1cccc(c1O)SC MB36573 [0,2,0,0,0,0|1,1,0]=4 1464 B13R1.82 CNc1cccc(c1O)C(=O)NC MB36104 [0,2,0,0,0,0|2,0,0]=4 1465 B13R1.460 CCOC(=O)c1cccc(c1)NN AB21773 [0,2,0,0,0,0|2,0,0]=4 1466 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O MB23866 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.2431 CNC(=O)c1cc(ccc1O)OC MB10053 [0,2,0,0,0,0|1,0,0]=3 1468 B13R1.2431 CNC(=O)c1cc(ccc1O)SC MB25282 [0,2,0,0,0,0|1,1,0]=4 1469 B13R1.2431 CNc1ccc(c(c1)C(=O)NC)O MB37342 [0,2,0,0,0,0|2,0,0]=4 1470 B13R1.2431 COc1cc(c(cn1)Br)C(=O)OC AB41197 [0,2,0,0,0,0|1,0,0]=3 1471 B13R1.2431 COc1ccc(c(c1)C(=O)OC)N AB49551 [0,2,0,0,0,0|0,0,0]=2 1472 B13R1.98 COc1ccc(c(c1)S(=O)(=O)N)O MB35822 [0,2,0,0,0,0|1,0,1]=4 1473 B13R1.645 COc1cccc(c1O)S(=O)(=O)N MB34396 [0,2,0,0,0,0|1,0,1]=4 1474 B13R1.2137 B(c1cccc(c1C#N)OC)(O)O AB57888 [0,2,0,0,0,0|1,0,1]=4 1475 B13R1.2137 B(c1cccc(c1C=O)OC)(O)O AB08868 [0,2,0,0,0,0|1,0,1]=4 1476 B13R1.2137 B(c1cccc(c1OC)OC)(O)O AB12327 [0,2,0,0,0,0|1,0,1]=4 1477 B13R1.2137 COc1c(ccnc1OC)C(=O)O AB59874 [0,2,0,0,0,0|1,0,0]=3 1478 B13R1.2137 COc1cccc(c1OC)C(=N)N AB18272 [0,2,0,0,0,0|2,0,0]=4 1479 B13R1.3097 B(c1c(ccc(c1Br)OC)Br)(O)O AB26495 [0,2,0,0,0,0|1,0,1]=4 1480 B13R1.3097 B(c1c(ccc(c1F)OC)F)(O)O AB25710 [0,2,0,0,0,0|1,0,1]=4 1481 B13R1.2430 B(c1cc(ccc1C=O)OC)(O)O AB12798 [0,2,0,0,0,0|1,0,1]=4 1482 B13R1.2430 B(c1cc(ccc1OC)OC)(O)O AB08674 [0,2,0,0,0,0|1,0,1]=4 1483 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])C#N AB06728 [0,2,0,0,0,0|1,0,1]=4 1484 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])C=O AB01428 [0,2,0,0,0,0|1,0,1]=4 1485 B13R1.2430 COc1ccc(cc1C(=O)O)NN AB44342 [0,2,0,0,0,0|2,0,0]=4 1486 B13R2.581 COc1c2c(ccn1)NC(=O)C2 AB48335 [0,0,0,1,0,1|2,0,0]=4 1487 B13R2.581 COc1cccc2c1CC(=O)N2 AB31926 [0,0,0,1,0,1|1,0,0]=3 1488 B13R2.581 COc1cccc2c1NC(=O)C2 AB11400 [0,0,0,1,0,1|1,0,0]=3 1489 B13R2.581 COc1ccnc2c1CC(=O)N2 AB66469 [0,0,0,1,0,1|2,0,0]=4 1490 B13R2.2121 COC1=CC2C(=NC(=N2)O)C=C1 AB02155 [0,0,0,1,0,1|1,0,1]=4 1491 B13R2.2121 COc1cc2c(cn1)CC(=O)N2 AB48334 [0,0,0,1,0,1|2,0,0]=4 1492 B13R2.2121 COc1cc2c(cn1)NC(=O)C2 AB62587 [0,0,0,1,0,1|2,0,0]=4 1493 B13R2.2121 COc1cc2c(nc1)NC(=O)C2 AB66479 [0,0,0,1,0,1|2,0,0]=4 1494 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,0,0,1,0,1|1,0,0]=3 1495 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,0,0,1,0,1|1,0,0]=3 1496 B13R2.2121 COc1ccc2c(c1)nc(o2)Cl AB63673 [0,0,0,1,0,1|1,0,0]=3 1497 B13R2.2121 COc1ccc2c(c1)oc(n2)Cl AB73086 [0,0,0,1,0,1|2,0,0]=4 1498 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl AB06750 [0,0,0,1,0,1|2,0,0]=4 1499 B13R2.2121 COc1ccc2c(n1)CC(=O)N2 AB11411 [0,0,0,1,0,1|2,0,0]=4 1500 B13R2.2121 COc1ccc2c(n1)NC(=O)C2 AB66484 [0,0,0,1,0,1|2,0,0]=4 1501 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O AB07960 [0,1,0,1,0,0|1,0,1]=4 1502 B13R2.430 CC(=O)c1cc2c(nc1)OCO2 AB73670 [0,1,0,1,0,0|2,0,0]=4 1503 B13R2.430 CC(=O)c1ccc2c(c1)N=NC2 PB25444 [0,1,0,1,0,0|2,0,0]=4 1504 B13R2.430 c1c(cnc2=CCN=c21)C(=O)O PB16180 [0,1,0,1,0,0|2,0,0]=4 1505 B13R2.430 c1c(cnc2=NCC=c21)C(=O)O PB20248 [0,1,0,1,0,0|2,0,0]=4 1506 B13R2.430 c1c(cnc2c1CCN2)C(=O)O AB26245 [0,1,0,1,0,0|2,0,0]=4 1507 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,1,0,1,0,0|1,0,0]=3 1508 B13R2.430 c1c2=CCN=c2cnc1C(=O)O AB60343 [0,1,0,1,0,0|2,0,0]=4 1509 B13R2.430 c1c2=NCC=c2cnc1C(=O)O PB23904 [0,1,0,1,0,0|2,0,0]=4 1510 B13R2.430 c1cc(cc2c1cco2)C(=O)O MB01639 [0,1,0,1,0,0|0,0,1]=3 1511 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 AB30281 [0,1,0,1,0,0|2,0,0]=4 1512 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 PB28170 [0,1,0,1,0,0|1,0,0]=3 1513 B13R2.430 c1cc2c(cc1C(=O)O)cno2 AB70277 [0,1,0,1,0,0|2,0,0]=4 1514 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 AB29416 [0,1,0,1,0,0|1,0,1]=4 1515 B13R2.430 c1cc2c(cc1C(=O)O)scn2 AB03450 [0,1,0,1,0,0|0,1,1]=4 1516 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 AB12143 [0,1,0,1,0,0|1,1,0]=4 1517 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,1,0,1,0,0|1,0,1]=4 1518 B13R2.430 c1cc2c(ccs2)cc1C(=O)O MB03434 [0,1,0,1,0,0|1,0,1]=4 1519 B13R2.429 c1cc(cc(c1)[N+](=O)[O-])C2CO2 MB08885 [0,1,0,1,0,0|1,0,1]=4 1520 B13R2.5569 B(c1cccc2c1OCO2)(O)O AB13495 [0,1,0,1,0,0|1,0,1]=4 1521 B13R2.5569 c1c2=CCN=c2c(cn1)C(=O)O PB25433 [0,1,0,1,0,0|2,0,0]=4 1522 B13R2.5569 c1cc(c2c(c1)N=CC2)C(=O)O PB10018 [0,1,0,1,0,0|1,0,0]=3 1523 B13R2.5569 c1cc(c2c(c1)N=NC2)C(=O)N MB13637 [0,1,0,1,0,0|2,0,0]=4 1524 B13R2.5569 c1cc(c2c(c1)N=NC2)C(=O)O PB15762 [0,1,0,1,0,0|1,0,0]=3 1525 B13R2.5569 c1cc(c2c(c1)OCC2)[N+](=O)[O-] PB32021 [0,1,0,1,0,0|1,0,1]=4 1526 B13R2.5569 c1cc(c2ccoc2c1)C(=O)O PB31474 [0,1,0,1,0,0|0,0,1]=3 1527 B13R2.5569 c1cc2ccsc2c(c1)C(=O)O AB45816 [0,1,0,1,0,0|1,0,1]=4 1528 B13R2.5569 c1cnc(c2=NCC=c21)C(=O)O PB19326 [0,1,0,1,0,0|2,0,0]=4 1529 B13R2.5569 c1cnc2=CCN=c2c1C(=O)O PB18015 [0,1,0,1,0,0|2,0,0]=4 1530 B13R2.5569 c1cnc2=NCC=c2c1C(=O)O PB26351 [0,1,0,1,0,0|2,0,0]=4 1531 B13R2.5569 c1cnc2c(c1C(=O)O)OCO2 AB73696 [0,1,0,1,0,0|1,0,0]=3 1532 B13R2.573 COc1cccc2c1CNC2=O AB51007 [0,1,0,1,0,0|1,0,0]=3 1533 B13R2.573 COc1cccc2c1OCC2=O MB01147 [0,1,0,1,0,0|0,0,0]=2 1534 B13R2.669 COc1cc2c(cn1)CNC2=O AB75341 [0,1,0,1,0,0|2,0,0]=4 1535 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,1,0,1,0,0|0,0,0]=2 1536 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [0,1,0,1,0,0|1,0,0]=3 1537 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [0,1,0,1,0,0|0,0,0]=2 1538 B13R2.669 COc1ccc2c(c1)C(CO2)N AB49134 [0,1,0,1,0,0|1,0,1]=4 1539 B13R2.669 COc1ccc2c(c1)c(no2)Cl AB72257 [0,1,0,1,0,0|1,0,0]=3 1540 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 AB44851 [0,1,0,1,0,0|1,1,0]=4 1541 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [1,0,0,0,1,0|2,0,0]=4 1542 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [1,0,0,0,1,0|1,0,0]=3 1543 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [1,0,0,0,1,0|2,0,0]=4 1544 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [1,0,0,0,1,0|1,0,0]=3 1545 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [1,0,0,0,1,0|2,0,0]=4 1546 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [1,0,0,0,1,0|1,0,0]=3 1547 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [1,0,0,0,1,0|2,0,0]=4 1548 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [1,0,0,0,1,0|2,0,0]=4 1549 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [1,0,0,0,1,0|2,0,0]=4 1550 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [1,0,0,0,1,0|2,0,0]=4 1551 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [1,0,0,0,1,0|2,0,0]=4 1552 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [1,0,0,0,1,0|2,0,0]=4 1553 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [1,0,0,0,1,0|2,0,0]=4 1554 B9R1.35 Cn1cc(cn1)C(=O)O PB27447 [1,0,0,0,1,0|2,0,0]=4 1555 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [1,0,0,0,1,0|2,0,0]=4 1556 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [1,0,0,0,1,0|2,0,0]=4 1557 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [1,0,0,0,1,0|2,0,0]=4 1558 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [1,0,0,0,1,0|2,0,0]=4 1559 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [1,0,0,0,1,0|2,0,0]=4 1560 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [1,0,0,0,1,0|2,0,0]=4 1561 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [1,0,0,0,1,0|2,0,0]=4 1562 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [1,0,0,0,1,0|2,0,0]=4 1563 B9R1.35 c1c(csc1F)C(=O)O PB18609 [1,0,0,0,1,0|2,0,0]=4 1564 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [1,0,0,0,1,0|2,0,0]=4 1565 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [1,0,0,0,1,0|2,0,0]=4 1566 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [1,0,0,0,1,0|2,0,0]=4 1567 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [1,0,0,0,1,0|2,0,0]=4 1568 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [1,0,0,0,1,0|1,0,0]=3 1569 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [1,0,0,0,1,0|2,0,0]=4 1570 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [1,0,0,0,1,0|2,0,0]=4 1571 B9R1.41 Cc1ccoc1C(=O)O AB01137 [1,0,0,0,1,0|1,0,0]=3 1572 B9R1.41 Cc1ccsc1C(=O)O AB00421 [1,0,0,0,1,0|1,0,0]=3 1573 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [1,0,0,0,1,0|2,0,0]=4 1574 B9R1.41 Cn1cccc1C(=O)O CB10008 [1,0,0,0,1,0|1,0,0]=3 1575 B9R1.41 Cn1ccnc1C(=O)O PB21787 [1,0,0,0,1,0|2,0,0]=4 1576 B9R1.41 Cn1cncc1C(=O)O PB24704 [1,0,0,0,1,0|2,0,0]=4 1577 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [1,0,0,0,1,0|2,0,0]=4 1578 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [1,0,0,0,1,0|2,0,0]=4 1579 B9R1.41 c1coc(c1I)C(=O)O AB85068 [1,0,0,0,1,0|2,0,0]=4 1580 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [1,0,0,0,1,0|2,0,0]=4 1581 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [1,0,0,0,1,0|2,0,0]=4 1582 B9R1.41 c1csc(c1N)C(=O)O AB14784 [1,0,0,0,1,0|2,0,0]=4 1583 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [1,0,0,0,1,0|2,0,0]=4 1584 B9R1.21 COc1ncc(s1)C=O AB50989 [1,0,0,0,1,0|2,0,0]=4 1585 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [1,0,0,0,0,1|1,0,0]=3 1586 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [1,0,0,0,0,1|2,0,0]=4 1587 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [1,0,0,0,0,1|2,0,0]=4 1588 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [1,0,0,0,0,1|1,0,0]=3 1589 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [1,0,0,0,0,1|2,0,0]=4 1590 B11R1.157 Cc1ccnc(n1)CC(=O)O AB59182 [1,0,0,0,0,1|2,0,0]=4 1591 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [1,0,0,0,0,1|2,0,0]=4 1592 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [1,0,0,0,0,1|2,0,0]=4 1593 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,0,0,0,0,1|2,0,0]=4 1594 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [1,0,0,0,0,1|1,0,0]=3 1595 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [1,0,0,0,0,1|1,0,0]=3 1596 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [1,0,0,0,0,1|1,0,0]=3 1597 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [1,0,0,0,0,1|2,0,0]=4 1598 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [1,0,0,0,0,1|2,0,0]=4 1599 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [1,0,0,0,0,1|2,0,0]=4 1600 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [1,0,0,0,0,1|2,0,0]=4 1601 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [1,0,0,0,0,1|2,0,0]=4 1602 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [0,0,0,0,1,1|1,0,1]=4 1603 B11R1.3 B(c1ccc(cn1)OC)(O)O AB48963 [0,0,0,0,1,1|1,0,1]=4 1604 B11R1.3 B(c1ccc(nc1)OC)(O)O AB10717 [0,0,0,0,1,1|1,0,1]=4 1605 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,0,0,0,1,1|1,0,0]=3 1606 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,0,0,0,1,1|1,0,0]=3 1607 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,0,0,0,1,1|2,0,0]=4 1608 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,0,0,0,1,1|2,0,0]=4 1609 B11R1.3 CNc1ncc(cn1)C(=O)O AB43554 [0,0,0,0,1,1|2,0,0]=4 1610 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,0,0,0,1,1|2,0,0]=4 1611 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,0,0,0,1,1|1,0,0]=3 1612 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,0,0,0,1,1|1,1,0]=4 1613 B11R1.3 COc1ccc(cn1)C(=N)N MB05831 [0,0,0,0,1,1|2,0,0]=4 1614 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,0,0,0,1,1|0,0,0]=2 1615 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] AB00668 [0,0,0,0,1,1|1,0,1]=4 1616 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,0,0,0,1,1|0,0,0]=2 1617 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [0,0,0,0,1,1|1,0,0]=3 1618 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [0,0,0,0,1,1|1,0,0]=3 1619 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [0,0,0,0,1,1|1,0,0]=3 1620 B11R1.3 CSc1ncc(cn1)C(=O)O PB17421 [0,0,0,0,1,1|1,1,0]=4 1621 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [0,0,0,0,1,1|2,0,0]=4 1622 B11R1.3 c1cc(ncc1C(=O)O)C#N AB08639 [0,0,0,0,1,1|2,0,0]=4 1623 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [0,0,0,0,1,1|2,0,0]=4 1624 B11R1.3 c1cc(ncc1C(=O)O)NN PB27614 [0,0,0,0,1,1|2,0,0]=4 1625 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [0,0,0,0,1,1|2,0,0]=4 1626 B13R1.643 B(\C=C\c1cccc(c1)OC)(O)O AB22312 [0,0,0,0,0,2|1,0,1]=4 1627 B13R1.643 CC(=O)COc1cccc(c1)OC AB26139 [0,0,0,0,0,2|1,0,0]=3 1628 B13R1.643 COc1cc(ccn1)CCC(=O)O AB61449 [0,0,0,0,0,2|1,0,0]=3 1629 B13R1.643 COc1cccc(c1)CCC(=O)O AB01136 [0,0,0,0,0,2|0,0,0]=2 1630 B13R1.643 COc1cccc(c1)CCC(=O)[O-] AB72173 [0,0,0,0,0,2|0,0,1]=3 1631 B13R1.643 COc1cccc(n1)CCC(=O)O AB61453 [0,0,0,0,0,2|1,0,0]=3 1632 B13R1.643 c1cc(cc(c1)C#N)CCC(=O)O MB05208 [0,0,0,0,0,2|2,0,0]=4 1633 B13R1.643 c1cc(cc(c1)C=O)CCC(=O)O MB05769 [0,0,0,0,0,2|2,0,0]=4