0 B11R1.21 B(c1cc(c(nc1)Cl)O)(O)O AB75022 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 B(c1cc(c(nc1)O)Cl)(O)O AB75018 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 B(c1ccc(c(c1)C)C)(O)O AB07958 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O AB12318 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.21 B(c1ccc(c(c1)C)F)(O)O AB10389 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O AB17244 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O AB08089 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O AB02143 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.21 B(c1ccc(c(c1)F)Br)(O)O AB10753 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O AB08827 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.21 B(c1ccc(c(c1)F)F)(O)O AB07331 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.21 B(c1ccc(c(c1)F)N)(O)O AB60801 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.21 B(c1ccc(c(c1)F)O)(O)O AB26445 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.21 B(c1ccc(c(c1)N)C)(O)O AB08081 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.21 B(c1ccc(c(c1)N)C)(O)O AB09464 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.21 B(c1ccc(c(c1)N)Cl)(O)O AB13618 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.21 B(c1ccc(c(c1)N)Cl)(O)O AB20318 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.21 B(c1ccc(c(c1)N)F)(O)O AB13157 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.21 B(c1ccc(c(c1)O)C)(O)O AB08101 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O AB59548 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.21 B(c1ccc(c(c1)O)F)(O)O AB48248 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.21 CC(=O)c1cc(c(cn1)Cl)Cl AB73180 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.21 CC(=O)c1cc(c(cn1)Cl)F AB82986 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.21 CC(=O)c1cc(c(cn1)Cl)N AB83914 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.21 CC(=O)c1cc(c(cn1)Cl)O AB75003 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.21 CC(=O)c1cc(c(cn1)F)Cl AB83156 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.21 CC(=O)c1cc(c(cn1)N)Cl AB83892 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.21 CC(=O)c1cc(c(nc1)Cl)Cl AB60291 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.21 CC(=O)c1cc(c(nc1)Cl)F AB74574 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.21 CC(=O)c1cc(c(nc1)Cl)N AB83970 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.21 CC(=O)c1cc(c(nc1)F)Cl AB75049 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.21 CC(=O)c1cc(c(nc1)N)Cl AB74572 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.21 CC(=O)c1cc(c(nc1)N)N AB60288 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.21 CC(=O)c1ccc(c(n1)Cl)F AB75031 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.21 CC(=O)c1ccc(c(n1)Cl)N AB51559 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.21 CC(=O)c1ccc(c(n1)F)Cl AB72855 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.21 CC(=O)c1ccc(c(n1)N)Cl AB83957 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.21 CC(=O)c1ccc(c(n1)O)Cl AB84085 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.21 CC(C)c1ccc(c(c1)Cl)O MB22550 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.21 CC(C)c1ccc(c(c1)F)O MB22546 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.21 CC(C)c1ccc(c(c1)I)O MB22548 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.21 CC(C)c1ccc(c(c1)O)Br MB09104 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.21 CC(C)c1ccc(c(c1)O)Cl MB22599 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.21 CC(C)c1ccc(c(c1)O)F MB22510 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.21 CC(C)c1ccc(c(c1)O)I MB14755 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.21 CC(C)c1ccc(c(c1)O)N MB22521 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.21 CN(C)c1ccc(c(c1)Br)O MB24862 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.21 CN(C)c1ccc(c(c1)Cl)O MB24865 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.21 CN(C)c1ccc(c(c1)F)O MB24855 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.21 CN(C)c1ccc(c(c1)I)O MB24856 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.21 CN(C)c1ccc(c(c1)N)O MB24858 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.21 CN(C)c1ccc(c(c1)O)Br MB24903 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.21 CN(C)c1ccc(c(c1)O)Cl MB24907 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.21 CN(C)c1ccc(c(c1)O)F MB24813 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.21 CN(C)c1ccc(c(c1)O)I MB24818 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.21 CN(C)c1ccc(c(c1)O)N MB24826 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [0,0,0,0,0,0|2,0,0]=2 67 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])O PB21259 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.21 Cc1c(ncc(n1)C(=O)O)Cl AB71835 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.21 Cc1c(ncc(n1)C(=O)O)F AB85697 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [0,0,0,0,0,0|2,0,0]=2 76 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.21 Cc1cc(cnc1O)[N+](=O)[O-] AB13453 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.21 Cc1cc(ncc1Cl)C(=O)C AB75107 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [0,0,0,0,0,0|3,1,0]=4 94 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.21 Cc1ccc(cc1O)N(C)C MB23415 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] AB01960 [0,0,0,0,0,0|2,0,1]=3 98 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O MB01535 [0,0,0,0,0,0|3,0,1]=4 105 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O PB12782 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [0,0,0,0,0,0|2,0,1]=3 112 B11R1.21 Cn1ccc(cc1=O)C(=O)O PB32349 [0,0,0,0,0,0|2,0,1]=3 113 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [0,0,0,0,0,0|3,0,0]=3 116 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [0,0,0,0,0,0|2,0,0]=2 119 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [0,0,0,0,0,0|3,0,0]=3 121 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [0,0,0,0,0,0|2,0,0]=2 124 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O AB10529 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] CB10758 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [0,0,0,0,0,0|3,0,0]=3 127 B11R1.21 c1c(cnc(c1Cl)F)C(=O)O AB15015 [0,0,0,0,0,0|3,0,0]=3 128 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O AB63730 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [0,0,0,0,0,0|2,0,0]=2 130 B11R1.21 c1c(cnc(c1F)Br)C(=O)O AB62700 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.21 c1c(cnc(c1F)Cl)C(=O)O AB64027 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.21 c1c(cnc(c1F)F)C(=O)O PB14646 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.21 c1c(cnc(c1F)O)[N+](=O)[O-] AB62596 [0,0,0,0,0,0|3,0,1]=4 134 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O AB75265 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.21 c1c(cnc(c1N)N)C(=O)O AB60261 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.21 c1c(cnc(c1N)O)[N+](=O)[O-] AB53297 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.21 c1c(cnc(c1O)Cl)C(=O)O AB72035 [0,0,0,0,0,0|2,0,0]=2 138 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O PB26120 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O PB37460 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.21 c1cc(c(cc1C(=N)N)Br)F AB18332 [0,0,0,0,0,0|4,0,0]=4 141 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F AB06667 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.21 c1cc(c(cc1C(=N)N)F)Br AB39276 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.21 c1cc(c(cc1C(=N)N)F)F AB18316 [0,0,0,0,0,0|4,0,0]=4 144 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [0,0,0,0,0,0|2,0,0]=2 145 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [0,0,0,0,0,0|2,0,0]=2 146 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [0,0,0,0,0,0|2,0,0]=2 147 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [0,0,0,0,0,0|2,0,0]=2 148 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [0,0,0,0,0,0|2,0,0]=2 151 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [0,0,0,0,0,0|2,0,0]=2 152 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [0,0,0,0,0,0|2,0,0]=2 153 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [0,0,0,0,0,0|2,0,0]=2 154 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [0,0,0,0,0,0|2,0,0]=2 155 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [0,0,0,0,0,0|2,0,0]=2 156 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [0,0,0,0,0,0|2,0,0]=2 157 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [0,0,0,0,0,0|1,0,0]=1 158 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [0,0,0,0,0,0|2,0,0]=2 159 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [0,0,0,0,0,0|1,0,0]=1 160 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [0,0,0,0,0,0|1,0,0]=1 161 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [0,0,0,0,0,0|1,0,0]=1 162 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N AB01462 [0,0,0,0,0,0|3,0,1]=4 163 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Br MB00446 [0,0,0,0,0,0|3,0,1]=4 164 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [0,0,0,0,0,0|2,0,0]=2 170 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,0,0,0,0,0|1,0,1]=3 177 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [1,0,0,0,0,0|1,1,1]=4 178 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,0,0,0,0,0|2,1,0]=4 194 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,0,0,0,0,0|2,1,0]=4 221 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,0,0,0,0,0|2,1,0]=4 222 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,0,0,0,0,0|2,1,0]=4 223 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,0,0,0,0,0|2,1,0]=4 224 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,0,0,0,0,0|1,1,0]=3 225 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,0,0,0,0,0|2,0,1]=4 227 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,0,0,0,0,0|2,0,0]=3 232 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,0,0,0,0,0|2,0,0]=3 234 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,0,0,0,0,0|1,0,0]=2 235 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,0,0,0,0,0|2,0,0]=3 239 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.113 B(c1cc(cnc1)O)(O)O AB67806 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [1,0,0,0,0,0|2,0,1]=4 248 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [1,0,0,0,0,0|2,0,1]=4 249 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [1,0,0,0,0,0|2,0,1]=4 250 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [1,0,0,0,0,0|2,0,1]=4 251 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [1,0,0,0,0,0|1,0,1]=3 252 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [1,0,0,0,0,0|1,1,1]=4 253 B10R1.113 B(c1cccc(n1)O)(O)O AB45591 [1,0,0,0,0,0|2,0,1]=4 254 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,0,0,0,0,0|2,0,1]=4 270 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [1,0,0,0,0,0|2,1,0]=4 277 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [1,0,0,0,0,0|2,0,0]=3 286 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [1,0,0,0,0,0|2,0,0]=3 287 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [1,0,0,0,0,0|1,0,0]=2 288 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [1,0,0,0,0,0|2,1,0]=4 296 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [1,0,0,0,0,0|2,1,0]=4 297 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [1,0,0,0,0,0|2,1,0]=4 299 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [1,0,0,0,0,0|2,1,0]=4 301 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,0,0,0,0,0|1,0,0]=2 303 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [1,0,0,0,0,0|2,0,0]=3 316 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [1,0,0,0,0,0|2,0,0]=3 317 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [1,0,0,0,0,0|2,0,0]=3 318 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [1,0,0,0,0,0|2,0,0]=3 319 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [1,0,0,0,0,0|1,0,0]=2 320 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [1,0,0,0,0,0|2,0,0]=3 324 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [1,0,0,0,0,0|2,0,0]=3 325 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [1,0,0,0,0,0|2,0,0]=3 327 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [1,0,0,0,0,0|2,0,0]=3 328 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [1,0,0,0,0,0|1,0,0]=2 329 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,0,0,0,0,0|2,0,1]=4 333 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,0,0,0,0,0|2,0,1]=4 334 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,0,0,0,0,0|2,0,1]=4 335 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,0,0,0,0,0|2,0,1]=4 336 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,0,0,0,0,0|2,0,1]=4 337 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,0,0,0,0,0|2,0,1]=4 338 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,0,0,0,0,0|2,0,1]=4 339 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,0,0,0,0,0|2,0,1]=4 340 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,0,0,0,0,0|2,0,1]=4 341 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,0,0,0,0,0|2,0,1]=4 342 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,0,0,0,0,0|3,0,0]=4 351 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,0,0,0,0,0|3,0,0]=4 352 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,0,0,0,0,0|3,0,0]=4 353 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [1,0,0,0,0,0|2,0,1]=4 373 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [1,0,0,0,0,0|2,0,0]=3 374 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,0,0,0,0,0|2,0,1]=4 375 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,0,0,0,0,0|2,0,1]=4 376 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [1,0,0,0,0,0|3,0,0]=4 378 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [1,0,0,0,0,0|3,0,0]=4 379 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [1,0,0,0,0,0|3,0,0]=4 385 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [1,0,0,0,0,0|2,0,1]=4 386 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,0,0,0,0,0|1,0,0]=2 387 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.176 Cc1cnc(cc1Br)C=O AB70162 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.176 Cc1cnc(cc1Cl)C=O AB67497 [1,0,0,0,0,0|3,0,0]=4 395 B10R1.176 Cc1cnc(cc1F)C=O AB82952 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.176 Cn1ccc(cc1=O)C=O PB35148 [1,0,0,0,0,0|2,0,1]=4 397 B10R1.176 c1c(cnc(c1Br)Cl)C=O AB64592 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.176 c1c(cnc(c1Cl)Br)C=O AB70941 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.176 c1c(cnc(c1Cl)F)C=O AB70931 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.176 c1c(cnc(c1Cl)N)C=O AB76562 [1,0,0,0,0,0|3,0,0]=4 401 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.176 c1c(cnc(c1F)Br)C=O AB70942 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.176 c1c(cnc(c1F)Cl)C=O AB67661 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.176 c1c(cnc(c1F)F)C=O AB70938 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.176 c1c(cnc(c1N)Cl)C=O AB67746 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [1,0,0,0,0,0|2,0,0]=3 407 B10R1.176 c1c(ncc(c1Cl)Br)C=O AB67641 [1,0,0,0,0,0|3,0,0]=4 408 B10R1.176 c1c(ncc(c1Cl)Cl)C=O AB67602 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.176 c1c(ncc(c1Cl)F)C=O AB67655 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.176 c1c(ncc(c1Cl)N)C=O AB67744 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [1,0,0,0,0,0|2,0,0]=3 412 B10R1.176 c1c(ncc(c1F)Cl)C=O AB82983 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.176 c1c(ncc(c1F)F)C=O AB73186 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.176 c1c(ncc(c1N)Cl)C=O AB83912 [1,0,0,0,0,0|3,0,0]=4 415 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [1,0,0,0,0,0|2,0,0]=3 416 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [1,0,0,0,0,0|2,0,1]=4 417 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [1,0,0,0,0,0|2,0,1]=4 418 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [1,0,0,0,0,0|2,0,1]=4 419 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [1,0,0,0,0,0|2,0,1]=4 420 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [1,0,0,0,0,0|2,0,1]=4 421 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [1,0,0,0,0,0|2,0,0]=3 422 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [1,0,0,0,0,0|2,0,0]=3 423 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,0,0,0,0,0|1,0,0]=2 424 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,0,0,0,0,0|1,0,0]=2 425 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,0,0,0,0,0|1,0,0]=2 426 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,0,0,0,0,0|1,0,0]=2 427 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,0,0,0,0,0|1,0,0]=2 428 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,0,0,0,0,0|1,0,0]=2 429 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,0,0,0,0,0|2,0,1]=4 430 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,0,0,0,0,0|2,0,1]=4 431 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,0,0,0,0,0|2,0,1]=4 432 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,0,0,0,0,0|2,0,1]=4 433 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,0,0,0,0,0|2,0,1]=4 434 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,0,0,0,0,0|2,0,1]=4 435 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,0,0,0,0,0|2,0,1]=4 436 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,0,0,0,0,0|2,0,1]=4 437 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,0,0,0,0,0|2,0,1]=4 438 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,0,0,0,0,0|2,0,1]=4 439 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [1,0,0,0,0,0|2,0,1]=4 440 B10R1.176 c1cc(c(nc1C=O)Cl)F AB70948 [1,0,0,0,0,0|3,0,0]=4 441 B10R1.176 c1cc(c(nc1C=O)Cl)N AB75366 [1,0,0,0,0,0|3,0,0]=4 442 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [1,0,0,0,0,0|2,0,0]=3 443 B10R1.176 c1cc(c(nc1C=O)F)Cl AB70952 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.176 c1cc(c(nc1C=O)F)F AB70940 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.176 c1cc(c(nc1C=O)N)Cl AB83955 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [1,0,0,0,0,0|2,0,0]=3 447 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)N MB23364 [0,1,0,0,0,0|2,0,1]=4 448 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)N MB23422 [0,1,0,0,0,0|2,0,1]=4 449 B12R1.23 c1cc(c(cc1S(=O)(=O)N)Br)O MB37637 [0,1,0,0,0,0|2,0,1]=4 450 B12R1.23 c1cc(c(cc1S(=O)(=O)N)Cl)O MB26219 [0,1,0,0,0,0|2,0,1]=4 451 B12R1.23 c1cc(c(cc1S(=O)(=O)N)I)O MB36746 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.23 c1cc(c(cc1S(=O)(=O)N)O)Cl MB33347 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.23 c1cc(c(cc1S(=O)(=O)N)O)F MB28617 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.23 c1cc(c(cc1S(=O)(=O)N)O)N MB01259 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.48 B(c1ccc(c(c1)C)OC)(O)O AB11185 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O AB17452 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O AB07328 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.48 B(c1ccc(c(c1)N)OC)(O)O AB20845 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.48 CC(=O)c1cc(c(cn1)C=O)O AB84443 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.48 CC(=O)c1cc(c(nc1)C=O)O AB84588 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.48 CC(=O)c1cc(c(nc1)OC)Cl AB70286 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.48 CC(=O)c1cc(c(nc1)OC)F AB74578 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.48 CC(=O)c1ccc(c(n1)O)C=O AB84544 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.48 CC(C)c1ccc(c(c1)O)OC MB13567 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.48 CCc1ccc(cc1O)C(=O)N MB23796 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.48 CCc1ccc(cc1O)C(=O)O MB06270 [0,1,0,0,0,0|1,0,0]=2 467 B12R1.48 CN(C)c1ccc(c(c1)O)OC MB33601 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.48 CNc1ccc(cc1O)C(=O)N MB33559 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.48 CNc1ccc(cc1O)C(=O)O MB29392 [0,1,0,0,0,0|1,0,0]=2 470 B12R1.48 COc1c(cc(cn1)C(=O)O)Br AB64029 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl AB20982 [0,1,0,0,0,0|2,0,0]=3 472 B12R1.48 COc1c(cc(cn1)C(=O)O)F AB62787 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.48 COc1c(cc(cn1)C(=O)O)N AB84951 [0,1,0,0,0,0|2,0,0]=3 474 B12R1.48 COc1c(cc(cn1)C(=O)O)O AB74794 [0,1,0,0,0,0|1,0,0]=2 475 B12R1.48 COc1ccc(cc1Br)C(=N)N AB27395 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.48 COc1ccc(cc1Br)C(=O)N AB64470 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.48 COc1ccc(cc1Br)C(=O)O AB01268 [0,1,0,0,0,0|1,0,0]=2 478 B12R1.48 COc1ccc(cc1O)C(=O)N MB32793 [0,1,0,0,0,0|1,0,0]=2 479 B12R1.48 COc1ccc(nc1Br)C(=O)O AB25432 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.48 COc1cnc(cc1Cl)C(=O)O AB67547 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.48 CSc1ccc(cc1O)C(=O)N MB34551 [0,1,0,0,0,0|1,1,0]=3 482 B12R1.48 CSc1ccc(cc1O)C(=O)O MB30298 [0,1,0,0,0,0|0,1,0]=2 483 B12R1.48 Cc1cc(ccc1CO)[N+](=O)[O-] AB65921 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.48 Cc1cc(cnc1OC)C(=O)O AB70810 [0,1,0,0,0,0|2,0,0]=3 485 B12R1.48 c1c(c(cnc1C(=O)O)C=O)N AB83685 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.48 c1c(c(cnc1C(=O)O)C=O)O AB75433 [0,1,0,0,0,0|1,0,1]=3 487 B12R1.48 c1c(cnc(c1N)C=O)C(=O)O AB83742 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.48 c1c(cnc(c1O)C=O)C(=O)O AB84590 [0,1,0,0,0,0|1,0,1]=3 489 B12R1.48 c1cc(c(cc1C(=O)N)O)C#N MB26792 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.48 c1cc(c(cc1C(=O)N)O)CN MB34020 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.48 c1cc(c(cc1C(=O)O)O)C#N MB27102 [0,1,0,0,0,0|1,0,0]=2 492 B12R1.48 c1cc(c(cc1C(=O)O)O)CN MB25917 [0,1,0,0,0,0|1,0,0]=2 493 B12R1.48 c1cc(nc(c1C=O)N)C(=O)O AB83714 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.48 c1cc(nc(c1C=O)O)C(=O)O AB84546 [0,1,0,0,0,0|1,0,1]=3 495 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O AB44497 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.56 CC(=O)c1cc(c(cn1)O)C=O AB84407 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.56 CC(=O)c1cc(c(nc1)O)C=O AB84518 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.56 CC(=O)c1ccc(c(n1)C=O)O AB84565 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [0,1,0,0,0,0|2,0,0]=3 501 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [0,1,0,0,0,0|1,0,0]=2 502 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [0,1,0,0,0,0|1,0,0]=2 505 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [0,1,0,0,0,0|1,0,0]=2 507 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [0,1,0,0,0,0|1,1,0]=3 510 B12R1.56 Cc1ccc(cc1CO)[N+](=O)[O-] AB05008 [0,1,0,0,0,0|2,0,1]=4 511 B12R1.56 c1c(c(cnc1C(=O)O)N)C=O AB83637 [0,1,0,0,0,0|2,0,1]=4 512 B12R1.56 c1c(c(cnc1C(=O)O)O)C=O AB84408 [0,1,0,0,0,0|1,0,1]=3 513 B12R1.56 c1c(cnc(c1C=O)N)C(=O)O AB83709 [0,1,0,0,0,0|2,0,1]=4 514 B12R1.56 c1c(cnc(c1C=O)O)C(=O)O AB84521 [0,1,0,0,0,0|1,0,1]=3 515 B12R1.56 c1cc(c(cc1C(=O)N)C#N)O MB26383 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.56 c1cc(c(cc1C(=O)N)CN)O MB32597 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [0,1,0,0,0,0|1,0,0]=2 518 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [0,1,0,0,0,0|1,0,0]=2 519 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)N AB52850 [0,1,0,0,0,0|2,0,1]=4 520 B12R1.56 c1cc(nc(c1N)C=O)C(=O)O AB83727 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.56 c1cc(nc(c1O)C=O)C(=O)O AB84568 [0,1,0,0,0,0|1,0,1]=3 522 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.232 CC(=O)c1cc(c(cc1O)O)Cl MB02763 [0,1,0,0,0,0|2,0,0]=3 524 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O AB00226 [0,1,0,0,0,0|1,0,0]=2 525 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O AB01123 [0,1,0,0,0,0|2,0,0]=3 526 B12R1.232 c1c(c(cc(c1N)O)O)C(=O)O MB08936 [0,1,0,0,0,0|1,0,0]=2 527 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O MB09386 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.367 CNC(=O)c1ccc(c(c1)F)O MB25391 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.367 CNC(=O)c1ccc(c(c1)I)O MB25392 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.367 CNC(=O)c1ccc(c(c1)N)O MB35206 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br MB35713 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl MB32480 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.367 CNC(=O)c1ccc(c(c1)O)F MB25339 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.367 CNC(=O)c1ccc(c(c1)O)I MB25347 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.367 CNC(=O)c1ccc(c(c1)O)N MB25356 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.367 COC(=O)c1cc(c(cn1)F)N AB73600 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.367 COC(=O)c1cc(c(cn1)O)O PB34753 [0,1,0,0,0,0|1,0,0]=2 538 B12R1.367 COC(=O)c1cc(c(nc1)Cl)N AB11451 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.367 COC(=O)c1cc(c(nc1)I)N AB73548 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.367 COC(=O)c1cc(c(nc1)N)Br AB25976 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.367 COC(=O)c1cc(c(nc1)N)Cl AB66518 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.367 COC(=O)c1cc(c(nc1)N)F AB73570 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.367 COC(=O)c1cc(c(nc1)N)N AB64509 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.367 COC(=O)c1cc(c(nc1)N)O AB73573 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.367 COC(=O)c1cc(c(nc1)O)N AB63058 [0,1,0,0,0,0|2,0,0]=3 546 B12R1.367 COC(=O)c1cc(c(nc1)O)O PB37505 [0,1,0,0,0,0|1,0,0]=2 547 B12R1.367 COC(=O)c1ccc(c(c1)Br)F AB21248 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CB10400 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl AB15542 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.367 COC(=O)c1ccc(c(c1)O)Br AB43030 [0,1,0,0,0,0|1,0,0]=2 551 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl AB64117 [0,1,0,0,0,0|1,0,0]=2 552 B12R1.367 COC(=O)c1ccc(c(n1)N)Cl AB73568 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.367 COC(=O)c1ccc(c(n1)N)N AB60256 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.367 COC(=O)c1ccc(c(n1)O)O PB20416 [0,1,0,0,0,0|1,0,0]=2 555 B12R1.367 Cc1cc(ccc1Cl)C(=O)C=O AB45361 [0,1,0,0,0,0|2,0,1]=4 556 B12R1.367 Cc1cc(ccc1F)C(=O)C=O AB45373 [0,1,0,0,0,0|2,0,1]=4 557 B12R1.367 Cc1cc(ccc1O)C(=O)NC MB25368 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.367 Cc1cc(cnc1N)C(=O)OC AB66393 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.367 Cc1cc(ncc1Br)C(=O)OC AB41177 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.367 Cc1cc(ncc1Cl)C(=O)OC AB72092 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.367 Cc1cc(ncc1N)C(=O)OC PB11380 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.367 Cc1ccc(cc1F)C(=O)OC AB23209 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.367 Cc1ccc(cc1O)C(=O)NC AB63536 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.367 Cc1ccc(cc1O)C(=O)OC AB04849 [0,1,0,0,0,0|1,0,0]=2 565 B12R1.367 Cc1ccc(nc1N)C(=O)OC AB73564 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.367 Cc1cnc(cc1N)C(=O)OC AB73592 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.367 Cn1cc(ccc1=O)C(=O)OC PB10057 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.367 Cn1ccc(cc1=O)C(=O)OC PB27549 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.367 c1cc(c(cc1C(=O)C=O)Cl)Cl AB48679 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.367 c1cc(c(cc1C(=O)C=O)F)F AB15499 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.367 c1cc(c(cc1C(=O)NN)N)O AB01234 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C CB10793 [0,1,0,0,0,0|2,0,0]=3 573 B12R1.893 Cc1ccc(c(c1O)Cl)[N+](=O)[O-] AB14699 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.893 c1c(c(c(c(n1)F)F)Cl)C(=O)O PB12582 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br AB31740 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl AB31744 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I AB31747 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N AB17887 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F AB51174 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.893 c1cc(c(c(c1C(=O)O)O)N)O MB08940 [0,1,0,0,0,0|1,0,0]=2 581 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)N)Br AB42982 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.1005 Cc1cc(nc(c1C)C)C(=O)O AB71658 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.1005 c1c(cc(c(c1O)F)F)C(=O)O AB21040 [0,1,0,0,0,0|1,0,0]=2 584 B10R1.58 Cn1c(cc(n1)C(=O)O)O AB62568 [0,0,0,0,1,0|3,0,0]=4 585 B10R1.194 c1c(c(c(s1)C(=O)O)N)Br AB65684 [0,0,0,0,1,0|3,0,0]=4 586 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)F MB07187 [0,0,0,0,0,1|3,0,0]=4 587 B12R1.19 Cc1cc(ncc1Br)CC(=O)O AB41182 [0,0,0,0,0,1|3,0,0]=4 588 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O AB41190 [0,0,0,0,0,1|3,0,0]=4 589 B12R1.19 Cc1ccc(cc1Br)NC(=O)C AB07992 [0,0,0,0,0,1|3,0,0]=4 590 B12R1.19 Cc1ccc(cc1O)NC(=S)N AB53227 [0,0,0,0,0,1|2,1,0]=4 591 B12R1.19 Cc1ccc(nc1C)CC(=O)O AB74109 [0,0,0,0,0,1|3,0,0]=4 592 B12R1.19 c1c(ncc(c1Cl)Cl)CC(=O)O AB70221 [0,0,0,0,0,1|3,0,0]=4 593 B12R1.19 c1c(ncc(c1Cl)F)CC(=O)O AB74103 [0,0,0,0,0,1|3,0,0]=4 594 B12R1.19 c1cc(c(nc1CC(=O)O)F)Cl AB71038 [0,0,0,0,0,1|3,0,0]=4 595 B9R1.1 Cc1ccc(cn1)C=O PB17503 [2,0,0,0,0,0|2,0,0]=4 596 B9R1.1 Cc1ccc(nc1)C=O AB31466 [2,0,0,0,0,0|2,0,0]=4 597 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [2,0,0,0,0,0|2,0,0]=4 598 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [2,0,0,0,0,0|2,0,0]=4 599 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,1]=4 600 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,1]=4 601 B9R1.1 c1cc(ncc1Br)C=O PB30785 [2,0,0,0,0,0|2,0,0]=4 602 B9R1.1 c1cc(ncc1C=O)Br PB27654 [2,0,0,0,0,0|2,0,0]=4 603 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [2,0,0,0,0,0|2,0,0]=4 604 B9R1.1 c1cc(ncc1C=O)F PB23560 [2,0,0,0,0,0|2,0,0]=4 605 B9R1.1 c1cc(ncc1C=O)N PB19003 [2,0,0,0,0,0|2,0,0]=4 606 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [2,0,0,0,0,0|2,0,0]=4 607 B9R1.1 c1cc(ncc1F)C=O AB42648 [2,0,0,0,0,0|2,0,0]=4 608 B9R1.1 c1cc(ncc1N)C=O AB67740 [2,0,0,0,0,0|2,0,0]=4 609 B9R1.1 c1cc(ncc1O)C=O AB59867 [2,0,0,0,0,0|1,0,0]=3 610 B9R1.6 CC(=O)c1ccccn1 AB00686 [2,0,0,0,0,0|2,0,0]=4 611 B9R1.6 CC(=O)c1cccnc1 AB00750 [2,0,0,0,0,0|2,0,0]=4 612 B9R1.6 CC(=O)c1ccncc1 AB00760 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.6 c1c(cncn1)C(=O)O PB23195 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [2,0,0,0,0,0|2,0,0]=4 616 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [2,0,0,0,0,0|1,0,0]=3 617 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [2,0,0,0,0,0|2,0,0]=4 619 B9R1.6 c1cnccc1C(=O)O AB00757 [2,0,0,0,0,0|1,0,0]=3 620 B9R1.6 c1cncnc1C(=O)O PB29023 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.6 c1cnncc1C(=O)O PB17054 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.2 Cc1cc(ccn1)C=O AB24827 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.2 Cc1cc(cnc1)C=O PB18860 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.2 Cc1cccc(n1)C=O AB00683 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.2 c1c(cncc1Br)C=O PB10234 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.2 c1c(cncc1Cl)C=O PB29540 [2,0,0,0,0,0|2,0,0]=4 628 B9R1.2 c1c(cncc1F)C=O PB12469 [2,0,0,0,0,0|2,0,0]=4 629 B9R1.2 c1c(cncc1I)C=O AB45533 [2,0,0,0,0,0|2,0,0]=4 630 B9R1.2 c1c(cncc1N)C=O AB67741 [2,0,0,0,0,0|2,0,0]=4 631 B9R1.2 c1c(cncc1O)C=O AB67779 [2,0,0,0,0,0|1,0,0]=3 632 B9R1.2 c1c(ncnc1O)C=O AB58874 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [2,0,0,0,0,0|1,0,1]=4 634 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.2 c1cnc(cc1Br)C=O PB10584 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.2 c1cnc(cc1C=O)Br AB17326 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.2 c1cnc(cc1C=O)F AB24818 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.2 c1cnc(cc1F)C=O AB68024 [2,0,0,0,0,0|2,0,0]=4 643 B9R1.2 c1cnc(cc1N)C=O AB68102 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.2 c1cnc(cc1O)C=O AB68125 [2,0,0,0,0,0|1,0,0]=3 645 B9R1.69 Cc1cc(ccc1I)O MB06793 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [2,0,0,0,0,0|1,0,1]=4 647 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [2,0,0,0,0,0|1,0,1]=4 648 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [2,0,0,0,0,0|1,0,1]=4 649 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [2,0,0,0,0,0|1,0,1]=4 650 B9R1.69 Cc1ccc(cc1I)O MB07177 [2,0,0,0,0,0|2,0,0]=4 651 B9R1.69 Cc1ccc(cc1O)Br MB05210 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.69 Cc1ccc(cc1O)I MB12091 [2,0,0,0,0,0|2,0,0]=4 653 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.69 c1c(c(cnc1O)O)Cl AB84006 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [2,0,0,0,0,0|2,0,0]=4 656 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [2,0,0,0,0,0|2,0,0]=4 657 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [2,0,0,0,0,0|2,0,0]=4 658 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [2,0,0,0,0,0|2,0,0]=4 659 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [2,0,0,0,0,0|2,0,0]=4 661 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [2,0,0,0,0,0|2,0,0]=4 662 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [2,0,0,0,0,0|2,0,0]=4 663 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [2,0,0,0,0,0|2,0,0]=4 664 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [2,0,0,0,0,0|2,0,0]=4 665 B9R1.69 c1cc(c(cc1F)I)O MB14767 [2,0,0,0,0,0|2,0,0]=4 666 B9R1.69 c1cc(c(cc1F)O)I MB25431 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [2,0,0,0,0,0|2,0,0]=4 668 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [2,0,0,0,0,0|2,0,0]=4 669 B9R1.69 c1cc(c(cc1I)F)O MB09308 [2,0,0,0,0,0|2,0,0]=4 670 B9R1.69 c1cc(c(cc1I)I)O MB01999 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.69 c1cc(c(cc1I)N)O MB14432 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.69 c1cc(c(cc1I)O)F MB14983 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.69 c1cc(c(cc1I)O)I MB07529 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.69 c1cc(c(cc1I)O)N MB14436 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [2,0,0,0,0,0|2,0,0]=4 677 B9R1.69 c1cc(c(cc1N)O)F MB13362 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.69 c1cc(c(cc1N)O)I MB37209 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [2,0,0,0,0,0|2,0,0]=4 683 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [2,0,0,0,0,0|2,0,0]=4 684 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.69 c1cc(c(cc1O)F)I MB11930 [2,0,0,0,0,0|2,0,0]=4 686 B9R1.69 c1cc(c(cc1O)F)N AB09438 [2,0,0,0,0,0|2,0,0]=4 687 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.69 c1cc(c(cc1O)I)F MB25606 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.69 c1cc(c(cc1O)I)I MB25449 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.69 c1cc(c(cc1O)I)N MB25412 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.69 c1cc(c(cc1O)N)I MB13452 [2,0,0,0,0,0|2,0,0]=4 693 B9R1.69 c1cc(c(cc1O)N)N MB04238 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [2,0,0,0,0,0|2,0,0]=4 695 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [2,0,0,0,0,0|2,0,0]=4 696 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.3 B(c1ccc(cc1)CO)(O)O AB07121 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [1,1,0,0,0,0|1,0,1]=4 699 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [1,1,0,0,0,0|1,1,0]=4 705 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.3 c1cc(ncc1C(=O)O)C#N AB08639 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.3 c1cc(ncc1C(=O)O)NN PB27614 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [1,1,0,0,0,0|1,0,1]=4 715 B11R1.19 CS(=O)(=O)c1ccc(cc1)O AB02067 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [1,1,0,0,0,0|1,0,0]=3 725 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [1,1,0,0,0,0|1,0,1]=4 735 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [1,1,0,0,0,0|1,0,1]=4 736 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [1,1,0,0,0,0|1,0,1]=4 737 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [1,1,0,0,0,0|1,0,1]=4 738 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [1,1,0,0,0,0|0,0,1]=3 739 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.166 B(c1ccc(cc1C)O)(O)O AB16000 [1,1,0,0,0,0|1,0,1]=4 742 B11R1.166 B(c1ccc(cc1Cl)O)(O)O AB12627 [1,1,0,0,0,0|1,0,1]=4 743 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.166 Cc1cc(ncc1C(=O)O)Br AB67818 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.166 Cc1cc(ncc1C(=O)O)F AB49982 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.166 Cc1cc(ncc1C(=O)O)N AB53293 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [1,1,0,0,0,0|1,0,0]=3 771 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.166 c1c(c(cnc1Br)C(=O)O)Cl AB67976 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.166 c1c(c(cnc1Br)C(=O)O)F AB68043 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.166 c1c(c(cnc1Br)C(=O)O)N AB67268 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.166 c1c(c(cnc1F)C(=O)O)Cl AB74908 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.166 c1c(c(cnc1F)C(=O)O)F AB49331 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.166 c1c(c(cnc1N)C(=O)O)Cl AB67979 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.166 c1c(c(cnc1N)C(=O)O)N AB71881 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [1,1,0,0,0,0|1,0,0]=3 802 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [1,1,0,0,0,0|1,0,0]=3 808 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [1,1,0,0,0,0|0,0,0]=2 813 B11R1.166 c1cc(c(cc1O)Br)[N+](=O)[O-] MB08147 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] MB01255 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] AB01868 [1,1,0,0,0,0|1,0,1]=4 818 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [1,1,0,0,0,0|0,0,0]=2 820 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [1,1,0,0,0,0|0,0,0]=2 822 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [1,1,0,0,0,0|1,0,0]=3 835 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [1,1,0,0,0,0|1,0,0]=3 839 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [1,1,0,0,0,0|1,0,0]=3 844 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [1,1,0,0,0,0|1,0,0]=3 848 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [1,1,0,0,0,0|1,0,0]=3 850 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [1,1,0,0,0,0|1,0,1]=4 861 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.74 B(c1cc(cc(c1)Br)O)(O)O AB76118 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.74 B(c1cc(cc(c1)Cl)O)(O)O AB70644 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.74 B(c1cc(cc(c1)F)O)(O)O AB30751 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.74 B(c1cc(cc(c1)O)C)(O)O AB71395 [1,1,0,0,0,0|1,0,1]=4 870 B11R1.74 B(c1cc(cc(c1)O)N)(O)O AB76565 [1,1,0,0,0,0|1,0,1]=4 871 B11R1.74 B(c1cc(cc(c1)O)O)(O)O AB77981 [1,1,0,0,0,0|1,0,1]=4 872 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AB03014 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl AB68467 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.74 CC(=O)c1cc(cc(c1)Br)F AB64734 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.74 CC(=O)c1cc(cc(c1)Br)O AB77772 [1,1,0,0,0,0|1,0,0]=3 876 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AB02007 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AB20622 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O AB66008 [1,1,0,0,0,0|1,0,0]=3 879 B11R1.74 CC(=O)c1cc(cc(c1)F)F AB01921 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.74 CC(=O)c1cc(cc(c1)F)O AB70439 [1,1,0,0,0,0|1,0,0]=3 881 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AB12532 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl AB77751 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.74 CC(=O)c1cc(cc(c1)I)F AB77745 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.74 CC(=O)c1cc(cc(c1)I)I AB77773 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.74 CC(=O)c1cc(cc(c1)I)O AB77786 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.74 CC(=O)c1cc(cc(c1)O)O AB00220 [1,1,0,0,0,0|1,0,0]=3 887 B11R1.74 CC(=O)c1cc(cc(n1)Br)O AB79666 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.74 CC(=O)c1cc(cc(n1)Cl)O AB74857 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.74 CC(=O)c1cc(cc(n1)F)O AB79636 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.74 CC(=O)c1cc(cc(n1)I)O AB79689 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.74 CC(=O)c1cc(cc(n1)O)Br AB79829 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.74 CC(=O)c1cc(cc(n1)O)Cl AB79810 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.74 CC(=O)c1cc(cc(n1)O)F AB79802 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.74 CC(=O)c1cc(cc(n1)O)I AB79848 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.74 CC(=O)c1cc(cc(n1)O)O AB79772 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.74 CC(=O)c1cc(nc(c1)Br)O AB79941 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.74 CC(=O)c1cc(nc(c1)Cl)O AB79929 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.74 CC(=O)c1cc(nc(c1)F)O AB79919 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.74 CC(=O)c1cc(nc(c1)I)O AB79958 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.74 CC(=O)c1cc(nc(c1)O)O AB80025 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [1,1,0,0,0,0|1,0,0]=3 903 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [1,1,0,0,0,0|1,0,0]=3 905 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [1,1,0,0,0,0|1,0,0]=3 907 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [1,1,0,0,0,0|1,0,0]=3 911 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [1,1,0,0,0,0|1,0,0]=3 912 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [1,1,0,0,0,0|1,0,0]=3 913 B11R1.74 Cc1cc(cc(c1)O)C(=O)N MB23370 [1,1,0,0,0,0|1,0,0]=3 914 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [1,1,0,0,0,0|0,0,0]=2 915 B11R1.74 Cc1cc(cc(n1)Br)C(=O)O AB66859 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.74 Cc1cc(cc(n1)C(=O)C)O AB79719 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br AB40781 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl AB40799 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.74 Cc1cc(cc(n1)C(=O)O)F AB66868 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.74 Cc1cc(cc(n1)C(=O)O)I AB79386 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.74 Cc1cc(cc(n1)C(=O)O)N AB66550 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.74 Cc1cc(cc(n1)C(=O)O)O AB74941 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.74 Cc1cc(cc(n1)C)C(=O)O AB15854 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O PB14103 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.74 Cc1cc(cc(n1)F)C(=O)O AB66869 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.74 Cc1cc(cc(n1)I)C(=O)O AB79514 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.74 Cc1cc(cc(n1)N)C(=O)O PB20783 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.74 Cc1cc(cc(n1)O)C(=O)C AB79988 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.74 Cc1cc(cc(n1)O)C(=O)O AB12186 [1,1,0,0,0,0|1,0,0]=3 930 B11R1.74 Cc1cc(nc(c1)Br)C(=O)O AB67817 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.74 Cc1cc(nc(c1)C(=O)O)C AB17859 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O AB52811 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.74 Cc1cc(nc(c1)F)C(=O)O AB67821 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.74 Cc1cc(nc(c1)I)C(=O)O AB79260 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.74 Cc1cc(nc(c1)N)C(=O)O AB67823 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.74 Cc1cc(nc(c1)O)C(=O)O AB13099 [1,1,0,0,0,0|1,0,0]=3 938 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AB02139 [1,1,0,0,0,0|1,0,0]=3 939 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AB04625 [1,1,0,0,0,0|1,0,0]=3 940 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AB29578 [1,1,0,0,0,0|1,0,0]=3 941 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AB00229 [1,1,0,0,0,0|1,0,0]=3 942 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AB06860 [1,1,0,0,0,0|1,0,0]=3 943 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AB09246 [1,1,0,0,0,0|1,0,0]=3 944 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AB07872 [1,1,0,0,0,0|1,0,0]=3 945 B11R1.74 c1c(cc(cc1F)F)C(=O)O AB01033 [1,1,0,0,0,0|1,0,0]=3 946 B11R1.74 c1c(cc(cc1F)I)C(=O)O AB20696 [1,1,0,0,0,0|1,0,0]=3 947 B11R1.74 c1c(cc(cc1I)I)C(=O)O AB06171 [1,1,0,0,0,0|1,0,0]=3 948 B11R1.74 c1c(cc(cc1N)Br)C(=O)O AB04992 [1,1,0,0,0,0|1,0,0]=3 949 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AB11542 [1,1,0,0,0,0|1,0,0]=3 950 B11R1.74 c1c(cc(cc1N)F)C(=O)O AB42533 [1,1,0,0,0,0|1,0,0]=3 951 B11R1.74 c1c(cc(cc1N)I)C(=O)O AB02789 [1,1,0,0,0,0|1,0,0]=3 952 B11R1.74 c1c(cc(cc1N)N)C(=O)O AB00898 [1,1,0,0,0,0|1,0,0]=3 953 B11R1.74 c1c(cc(cc1N)O)C(=O)N MB25638 [1,1,0,0,0,0|1,0,0]=3 954 B11R1.74 c1c(cc(cc1N)O)C(=O)O AB29674 [1,1,0,0,0,0|0,0,0]=2 955 B11R1.74 c1c(cc(cc1O)Br)C(=O)N MB25408 [1,1,0,0,0,0|1,0,0]=3 956 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AB29744 [1,1,0,0,0,0|0,0,0]=2 957 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O AB18080 [1,1,0,0,0,0|0,0,0]=2 958 B11R1.74 c1c(cc(cc1O)F)C(=O)N MB34061 [1,1,0,0,0,0|1,0,0]=3 959 B11R1.74 c1c(cc(cc1O)F)C(=O)O AB64637 [1,1,0,0,0,0|0,0,0]=2 960 B11R1.74 c1c(cc(cc1O)I)C(=O)N MB13459 [1,1,0,0,0,0|1,0,0]=3 961 B11R1.74 c1c(cc(cc1O)I)C(=O)O AB02791 [1,1,0,0,0,0|0,0,0]=2 962 B11R1.74 c1c(cc(cc1O)O)C(=O)O AB00234 [1,1,0,0,0,0|0,0,0]=2 963 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O PB18991 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.74 c1c(cc(nc1Br)I)C(=O)O AB79501 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.74 c1c(cc(nc1C(=O)O)Br)Br AB68240 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.74 c1c(cc(nc1C(=O)O)Br)Cl AB67261 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.74 c1c(cc(nc1C(=O)O)Br)F AB68040 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.74 c1c(cc(nc1C(=O)O)Br)I AB79249 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.74 c1c(cc(nc1C(=O)O)Br)N AB67264 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.74 c1c(cc(nc1C(=O)O)Br)O AB79257 [1,1,0,0,0,0|1,0,0]=3 971 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Br AB67958 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl AB55079 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.74 c1c(cc(nc1C(=O)O)Cl)F AB68036 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.74 c1c(cc(nc1C(=O)O)Cl)I AB79242 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.74 c1c(cc(nc1C(=O)O)Cl)N AB67311 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.74 c1c(cc(nc1C(=O)O)Cl)O AB68127 [1,1,0,0,0,0|1,0,0]=3 977 B11R1.74 c1c(cc(nc1C(=O)O)F)Br AB72835 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.74 c1c(cc(nc1C(=O)O)F)Cl AB74912 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.74 c1c(cc(nc1C(=O)O)F)F AB49324 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.74 c1c(cc(nc1C(=O)O)F)I AB79224 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.74 c1c(cc(nc1C(=O)O)F)N AB79232 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.74 c1c(cc(nc1C(=O)O)F)O AB79240 [1,1,0,0,0,0|1,0,0]=3 983 B11R1.74 c1c(cc(nc1C(=O)O)I)Br AB79372 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.74 c1c(cc(nc1C(=O)O)I)Cl AB79366 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.74 c1c(cc(nc1C(=O)O)I)F AB79347 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.74 c1c(cc(nc1C(=O)O)I)N AB79262 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.74 c1c(cc(nc1C(=O)O)I)O AB79273 [1,1,0,0,0,0|1,0,0]=3 988 B11R1.74 c1c(cc(nc1C(=O)O)N)Br AB71729 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.74 c1c(cc(nc1C(=O)O)N)Cl AB67977 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.74 c1c(cc(nc1C(=O)O)N)F AB79355 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.74 c1c(cc(nc1C(=O)O)N)I AB79390 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.74 c1c(cc(nc1C(=O)O)N)N AB79332 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.74 c1c(cc(nc1C(=O)O)N)O AB79330 [1,1,0,0,0,0|1,0,0]=3 994 B11R1.74 c1c(cc(nc1C(=O)O)O)Br AB79382 [1,1,0,0,0,0|1,0,0]=3 995 B11R1.74 c1c(cc(nc1C(=O)O)O)F AB79365 [1,1,0,0,0,0|1,0,0]=3 996 B11R1.74 c1c(cc(nc1C(=O)O)O)I AB79403 [1,1,0,0,0,0|1,0,0]=3 997 B11R1.74 c1c(cc(nc1C(=O)O)O)N AB79465 [1,1,0,0,0,0|1,0,0]=3 998 B11R1.74 c1c(cc(nc1C(=O)O)O)O AB76498 [1,1,0,0,0,0|1,0,0]=3 999 B11R1.74 c1c(cc(nc1Cl)Br)C(=O)O AB66787 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O AB05154 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.74 c1c(cc(nc1Cl)I)C(=O)O AB79494 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.74 c1c(cc(nc1F)Br)C(=O)O AB66790 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.74 c1c(cc(nc1F)Cl)C(=O)O AB66798 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.74 c1c(cc(nc1N)Br)C(=O)O AB67265 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.74 c1c(cc(nc1N)F)C(=O)O AB79483 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.74 c1c(cc(nc1N)I)C(=O)O AB79517 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.74 c1c(cc(nc1N)N)C(=O)O AB66375 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.74 c1c(cc(nc1N)O)C(=O)O AB76516 [1,1,0,0,0,0|1,0,0]=3 1009 B11R1.74 c1c(cc(nc1O)Br)C(=O)O AB79511 [1,1,0,0,0,0|1,0,0]=3 1010 B11R1.74 c1c(cc(nc1O)Cl)C(=O)O AB41973 [1,1,0,0,0,0|1,0,0]=3 1011 B11R1.74 c1c(cc(nc1O)F)C(=O)O AB71296 [1,1,0,0,0,0|1,0,0]=3 1012 B11R1.74 c1c(cc(nc1O)I)C(=O)O AB79531 [1,1,0,0,0,0|1,0,0]=3 1013 B11R1.74 c1c(cc(nc1O)O)C(=O)O AB00673 [1,1,0,0,0,0|1,0,0]=3 1014 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)O MB25580 [1,1,0,0,0,0|1,0,1]=4 1015 B11R1.159 B(c1cccc(c1F)O)(O)O AB29567 [1,1,0,0,0,0|1,0,1]=4 1016 B11R1.159 CC(=O)c1c(c(ccn1)O)Cl AB75008 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [1,1,0,0,0,0|1,0,0]=3 1019 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.159 CC(=O)c1ccnc(c1Cl)O AB84065 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.159 CC(=O)c1cncc(c1Cl)O AB83996 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [1,1,0,0,0,0|1,0,0]=3 1025 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.159 Cc1c(ccnc1Cl)C(=O)O AB71250 [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.159 Cc1c(ccnc1F)C(=O)O AB71345 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [1,1,0,0,0,0|1,0,0]=3 1032 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [1,1,0,0,0,0|1,0,0]=3 1049 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [1,1,0,0,0,0|1,0,0]=3 1050 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [1,1,0,0,0,0|1,0,0]=3 1051 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [1,1,0,0,0,0|1,0,0]=3 1053 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [1,1,0,0,0,0|1,0,0]=3 1054 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [1,1,0,0,0,0|1,0,0]=3 1055 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [1,1,0,0,0,0|1,0,0]=3 1057 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [1,1,0,0,0,0|1,0,0]=3 1059 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [1,1,0,0,0,0|1,0,0]=3 1061 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [1,1,0,0,0,0|1,0,0]=3 1063 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [1,1,0,0,0,0|0,0,0]=2 1064 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] MB06573 [1,1,0,0,0,0|1,0,1]=4 1065 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [1,1,0,0,0,0|1,0,0]=3 1066 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [1,1,0,0,0,0|0,0,0]=2 1067 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] MB09030 [1,1,0,0,0,0|1,0,1]=4 1068 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [1,1,0,0,0,0|1,0,0]=3 1069 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [1,1,0,0,0,0|0,0,0]=2 1070 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [1,1,0,0,0,0|0,0,0]=2 1071 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [1,1,0,0,0,0|1,0,0]=3 1072 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl CB10568 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F AB49339 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.159 c1cnc(c(c1C(=O)O)Cl)N AB83934 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.159 c1cnc(c(c1C(=O)O)Cl)O AB66802 [1,1,0,0,0,0|1,0,0]=3 1077 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl AB17057 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.159 c1cnc(c(c1C(=O)O)F)F PB18941 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.159 c1cnc(c(c1C(=O)O)I)Br AB31097 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.159 c1cnc(c(c1C(=O)O)N)Br AB71716 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl AB70618 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.159 c1cnc(c(c1C(=O)O)N)N AB63396 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [1,1,0,0,0,0|1,0,0]=3 1091 B11R1.167 B(c1cc(ccc1Cl)O)(O)O AB48247 [1,1,0,0,0,0|1,0,1]=4 1092 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [1,1,0,0,0,0|2,0,0]=4 1099 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [1,1,0,0,0,0|1,0,0]=3 1112 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [1,1,0,0,0,0|0,0,0]=2 1113 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.167 Cc1cnc(cc1C(=O)O)Cl AB67501 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.167 Cc1cnc(cc1C(=O)O)F AB71348 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.167 Cc1cnc(cc1C(=O)O)N AB63101 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O AB48781 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.167 c1c(c(cnc1Br)Cl)C(=O)O AB66669 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.167 c1c(c(cnc1Br)F)C(=O)O AB50074 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.167 c1c(c(cnc1Br)N)C(=O)O PB11266 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O AB06268 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O AB20948 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O PB23467 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.167 c1c(c(cnc1F)N)C(=O)O PB14345 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.167 c1c(c(cnc1N)Br)C(=O)O AB53925 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.167 c1c(c(cnc1N)Cl)C(=O)O AB72346 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.167 c1c(c(cnc1N)F)C(=O)O AB72349 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.167 c1c(c(cnc1N)N)C(=O)O AB83416 [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [1,1,0,0,0,0|1,0,0]=3 1150 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [1,1,0,0,0,0|1,0,0]=3 1151 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [1,1,0,0,0,0|1,0,0]=3 1153 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [1,1,0,0,0,0|1,0,0]=3 1154 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [1,1,0,0,0,0|1,0,0]=3 1156 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [1,1,0,0,0,0|1,0,0]=3 1158 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [1,1,0,0,0,0|1,0,0]=3 1159 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [1,1,0,0,0,0|1,0,0]=3 1160 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [1,1,0,0,0,0|1,0,0]=3 1161 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [1,1,0,0,0,0|1,0,0]=3 1162 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [1,1,0,0,0,0|1,0,0]=3 1163 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [1,1,0,0,0,0|0,0,0]=2 1164 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [1,1,0,0,0,0|0,0,0]=2 1165 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [1,1,0,0,0,0|0,0,0]=2 1166 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl AB30050 [1,1,0,0,0,0|1,0,1]=4 1175 B11R1.266 B(c1cccc(c1)CO)(O)O AB08606 [1,1,0,0,0,0|1,0,1]=4 1176 B11R1.266 B(c1cccc(c1)OC)(O)O AB04236 [1,1,0,0,0,0|1,0,1]=4 1177 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.266 CC(=O)c1cccc(c1)C#C AB21440 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.266 CC(=O)c1cccc(n1)CO AB49267 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [1,1,0,0,0,0|1,0,0]=3 1184 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [1,1,0,0,0,0|1,0,0]=3 1185 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [1,1,0,0,0,0|1,1,0]=4 1187 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [1,1,0,0,0,0|1,0,0]=3 1189 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [1,1,0,0,0,0|1,0,0]=3 1191 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [1,1,0,0,0,0|1,0,0]=3 1192 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.266 c1c(cncc1C(=O)O)C#N AB31370 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.266 c1cc(nc(c1)C(=O)O)C#N AB56397 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.266 c1cc(nc(c1)C(=O)O)CN AB25598 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.266 c1cnc(cc1C#N)C(=O)O AB49710 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.266 c1cnc(cc1C(=O)O)C#N AB14211 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.266 c1cnc(cc1C(=O)O)CCl AB60022 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.266 c1cnc(cc1C(=O)O)NN PB20224 [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.14 c1c(cc(c(c1O)F)F)C=O AB21039 [1,1,0,0,0,0|1,0,0]=3 1201 B11R1.14 c1c(cc(c(c1O)F)F)CO AB21044 [1,1,0,0,0,0|1,0,1]=4 1202 B11R1.14 c1c(cc(c(c1O)O)Br)C=O MB00252 [1,1,0,0,0,0|0,0,0]=2 1203 B11R1.277 c1c(c(cc(c1O)O)F)C=O MB02740 [1,1,0,0,0,0|0,0,0]=2 1204 B11R1.278 c1cc(c(c(c1C=O)F)O)O MB02737 [1,1,0,0,0,0|0,0,0]=2 1205 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [1,1,0,0,0,0|1,0,1]=4 1206 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [1,1,0,0,0,0|1,0,0]=3 1207 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [1,1,0,0,0,0|1,0,0]=3 1208 B11R1.279 COc1c(cc(cn1)C=O)Br AB70947 [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.279 COc1c(cc(cn1)C=O)Cl AB20954 [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.279 COc1c(cc(cn1)C=O)F AB17649 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.279 COc1ccc(cc1O)C#N MB02393 [1,1,0,0,0,0|1,0,1]=4 1213 B11R1.279 COc1ccc(cc1O)SC MB37214 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.279 COc1cnc(cc1Cl)C=O AB67540 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [1,1,0,0,0,0|0,1,0]=3 1216 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.279 c1c(cnc(c1O)C=O)C=O AB84585 [1,1,0,0,0,0|1,0,1]=4 1218 B11R1.279 c1c(ncc(c1O)C=O)C=O AB84440 [1,1,0,0,0,0|1,0,1]=4 1219 B11R1.279 c1cc(c(cc1C=O)F)C#N AB28328 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [1,1,0,0,0,0|1,0,0]=3 1221 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [1,1,0,0,0,0|0,0,1]=3 1222 B11R1.279 c1cc(nc(c1C=O)O)C=O AB84543 [1,1,0,0,0,0|1,0,1]=4 1223 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [1,1,0,0,0,0|1,0,0]=3 1224 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [1,1,0,0,0,0|1,0,0]=3 1225 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.280 COc1c(ccc(n1)C=O)F AB70966 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [1,1,0,0,0,0|1,0,0]=3 1228 B11R1.280 COc1cc(ccc1N)C=O AB54813 [1,1,0,0,0,0|1,0,0]=3 1229 B11R1.280 COc1cc(ccc1N)CO AB44207 [1,1,0,0,0,0|1,0,1]=4 1230 B11R1.280 COc1cc(ccc1O)SC MB01847 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.280 COc1cc(cnc1Cl)C=O AB67544 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.280 COc1cc(cnc1F)C=O AB73653 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [1,1,0,0,0,0|0,1,0]=3 1235 B11R1.280 c1c(c(cnc1C=O)O)C=O AB84406 [1,1,0,0,0,0|1,0,1]=4 1236 B11R1.280 c1c(cnc(c1C=O)O)C=O AB84515 [1,1,0,0,0,0|1,0,1]=4 1237 B11R1.280 c1cc(c(cc1C=O)C#N)F CB10572 [1,1,0,0,0,0|2,0,0]=4 1238 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [1,1,0,0,0,0|1,0,0]=3 1239 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [1,1,0,0,0,0|1,0,0]=3 1240 B11R1.280 c1cc(c(nc1C=O)C=O)O AB76119 [1,1,0,0,0,0|1,0,1]=4 1241 B11R1.865 COC(=O)c1c(c(cs1)Cl)O MB14669 [0,1,0,0,1,0|2,0,0]=4 1242 B13R1.35 COc1ccc(cc1O)NC(=S)N AB53235 [0,1,0,0,0,1|1,1,0]=4 1243 B13R1.510 c1cc(c(cc1C(C(=O)O)N)Cl)Cl AB14602 [0,1,0,0,0,1|2,0,0]=4 1244 B13R1.510 c1cc(c(cc1C(C(=O)O)N)Cl)Cl AB20614 [0,1,0,0,0,1|2,0,0]=4 1245 B13R1.510 c1cc(c(cc1C(C(=O)O)N)F)Cl AB32539 [0,1,0,0,0,1|2,0,0]=4 1246 B13R1.510 c1cc(c(cc1C(C(=O)O)N)F)F AB23622 [0,1,0,0,0,1|2,0,0]=4 1247 B13R1.510 c1cc(c(cc1C(C(=O)O)N)F)F AB24567 [0,1,0,0,0,1|2,0,0]=4 1248 B13R1.510 c1cc(c(cc1[C@@H](C(=O)O)N)Cl)Cl AB33103 [0,1,0,0,0,1|2,0,0]=4 1249 B13R1.510 c1cc(c(cc1[C@@H](C(=O)O)N)F)F AB05380 [0,1,0,0,0,1|2,0,0]=4 1250 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)Cl)Cl AB33101 [0,1,0,0,0,1|2,0,0]=4 1251 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)F)F AB33037 [0,1,0,0,0,1|2,0,0]=4 1252 B13R1.2879 Cc1cc(ccc1O)CC(=O)OC AB43599 [0,1,0,0,0,1|1,0,0]=3 1253 B13R1.3528 c1cc(c(c(c1CC(=O)O)F)F)I AB31757 [0,1,0,0,0,1|2,0,0]=4 1254 B13R1.3528 c1cc(c(c(c1CC(=O)O)F)F)N AB23108 [0,1,0,0,0,1|2,0,0]=4 1255 B13R1.3528 c1cc(c(c(c1CC(=O)O)F)F)O AB31834 [0,1,0,0,0,1|1,0,0]=3 1256 B13R1.120 B(c1ccc(cc1Cl)C(=O)O)(O)O AB30715 [0,2,0,0,0,0|1,0,0]=3 1257 B13R1.120 B(c1ccc(cc1N)C(=O)O)(O)O AB11202 [0,2,0,0,0,0|1,0,0]=3 1258 B13R1.120 B(c1ccc(cc1N)C(=O)O)(O)O AB25438 [0,2,0,0,0,0|1,0,0]=3 1259 B13R1.120 CC(=O)c1c(cc(cn1)C(=O)O)O AB84325 [0,2,0,0,0,0|1,0,1]=4 1260 B13R1.120 CC(=O)c1ccc(nc1O)C(=O)O AB84286 [0,2,0,0,0,0|1,0,1]=4 1261 B13R1.120 CC(=O)c1cnc(cc1O)C(=O)O AB84206 [0,2,0,0,0,0|1,0,1]=4 1262 B13R1.120 CC(C)c1ccc(cc1O)C(=O)N MB22488 [0,2,0,0,0,0|2,0,0]=4 1263 B13R1.120 CC(C)c1ccc(cc1O)C(=O)O MB22489 [0,2,0,0,0,0|1,0,0]=3 1264 B13R1.120 CN(C)c1ccc(cc1O)C(=O)N MB24793 [0,2,0,0,0,0|2,0,0]=4 1265 B13R1.120 CN(C)c1ccc(cc1O)C(=O)O MB24796 [0,2,0,0,0,0|1,0,0]=3 1266 B13R1.120 Cc1cc(cnc1C(=O)O)C(=O)O AB63096 [0,2,0,0,0,0|2,0,0]=4 1267 B13R1.120 c1c(c(cnc1C(=O)O)C(=O)O)Br AB73607 [0,2,0,0,0,0|2,0,0]=4 1268 B13R1.120 c1c(c(cnc1C(=O)O)C(=O)O)Cl AB73605 [0,2,0,0,0,0|2,0,0]=4 1269 B13R1.120 c1c(c(cnc1C(=O)O)C(=O)O)N AB73602 [0,2,0,0,0,0|2,0,0]=4 1270 B13R1.120 c1c(c(cnc1C(=O)O)C(=O)O)O AB73612 [0,2,0,0,0,0|1,0,0]=3 1271 B13R1.120 c1c(cnc(c1Br)C(=O)O)C(=O)O AB73618 [0,2,0,0,0,0|2,0,0]=4 1272 B13R1.120 c1c(cnc(c1Cl)C(=O)O)C(=O)O AB03640 [0,2,0,0,0,0|2,0,0]=4 1273 B13R1.120 c1c(cnc(c1F)C(=O)O)C(=O)O AB73616 [0,2,0,0,0,0|2,0,0]=4 1274 B13R1.120 c1c(cnc(c1N)C(=O)O)C(=O)O AB73614 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.120 c1cc(c(cc1C(=O)N)O)C(=O)N MB36745 [0,2,0,0,0,0|1,0,1]=4 1276 B13R1.120 c1cc(c(cc1C(=O)N)O)C(=O)O MB28342 [0,2,0,0,0,0|1,0,0]=3 1277 B13R1.120 c1cc(c(cc1C(=O)O)F)[N+](=O)[O-] AB10204 [0,2,0,0,0,0|1,0,1]=4 1278 B13R1.120 c1cc(c(cc1C(=O)O)O)C(=O)N MB33903 [0,2,0,0,0,0|0,0,1]=3 1279 B13R1.120 c1cc(c(cc1C(=O)O)O)C(=O)O MB07827 [0,2,0,0,0,0|0,0,0]=2 1280 B13R1.120 c1cc(c(cc1C(=O)O)O)[N+](=O)[O-] AB00843 [0,2,0,0,0,0|0,0,1]=3 1281 B13R1.120 c1cc(nc(c1C(=O)O)N)C(=O)O AB83516 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.144 CCOc1c(cc(cn1)C(=O)O)F AB76975 [0,2,0,0,0,0|2,0,0]=4 1283 B13R1.652 COc1cc(c(cc1F)C(=O)O)N PB36061 [0,2,0,0,0,0|1,0,0]=3 1284 B13R1.3088 CCc1ccc(cc1O)C(=O)NC MB23816 [0,2,0,0,0,0|2,0,0]=4 1285 B13R1.3088 CNC(=O)c1ccc(c(c1)O)C#N MB25283 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.3088 CNC(=O)c1ccc(c(c1)O)C=O MB25309 [0,2,0,0,0,0|1,0,1]=4 1287 B13R1.3088 CNC(=O)c1ccc(c(c1)O)CN MB25335 [0,2,0,0,0,0|2,0,0]=4 1288 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC MB28716 [0,2,0,0,0,0|1,0,0]=3 1289 B13R1.3088 CNc1ccc(cc1O)C(=O)NC MB29739 [0,2,0,0,0,0|2,0,0]=4 1290 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)O AB73641 [0,2,0,0,0,0|1,0,1]=4 1291 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)C#N AB66183 [0,2,0,0,0,0|2,0,0]=4 1292 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CBr AB56294 [0,2,0,0,0,0|2,0,0]=4 1293 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN AB56297 [0,2,0,0,0,0|2,0,0]=4 1294 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN AB66180 [0,2,0,0,0,0|2,0,0]=4 1295 B13R1.3088 COC(=O)c1ccc(c(c1)F)CBr AB05832 [0,2,0,0,0,0|2,0,0]=4 1296 B13R1.3088 COC(=O)c1ccc(c(c1)F)CN AB66184 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.3088 COC(=O)c1ccc(c(n1)O)C=O AB73633 [0,2,0,0,0,0|1,0,1]=4 1298 B13R1.3088 COc1c(cc(cn1)C(=O)OC)N AB76549 [0,2,0,0,0,0|2,0,0]=4 1299 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O AB08049 [0,2,0,0,0,0|1,0,1]=4 1300 B13R1.3091 COc1cc(ccc1CN)C(=O)O AB21166 [0,2,0,0,0,0|1,0,0]=3 1301 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] AB44873 [0,2,0,0,0,0|1,0,1]=4 1302 B13R1.3091 COc1ccc(cc1OC)C(=N)N AB09711 [0,2,0,0,0,0|2,0,0]=4 1303 B13R1.13 B(c1cc(ccc1Cl)C(=O)C)(O)O AB25479 [0,2,0,0,0,0|2,0,0]=4 1304 B13R1.13 B(c1cc(ccc1F)C(=O)C)(O)O AB25478 [0,2,0,0,0,0|2,0,0]=4 1305 B13R1.13 B(c1cc(ccc1F)C(=O)O)(O)O AB44936 [0,2,0,0,0,0|1,0,0]=3 1306 B13R1.13 CC(=O)c1c(ccc(n1)C(=O)O)O AB84305 [0,2,0,0,0,0|1,0,1]=4 1307 B13R1.13 CC(=O)c1cc(cnc1O)C(=O)O AB84268 [0,2,0,0,0,0|1,0,1]=4 1308 B13R1.13 CC(=O)c1cc(ncc1O)C(=O)O AB84164 [0,2,0,0,0,0|1,0,1]=4 1309 B13R1.13 CC(C)c1cc(ccc1O)C(=O)N MB22354 [0,2,0,0,0,0|2,0,0]=4 1310 B13R1.13 CC(C)c1cc(ccc1O)C(=O)O MB22358 [0,2,0,0,0,0|1,0,0]=3 1311 B13R1.13 CN(C)c1cc(ccc1O)C(=O)N MB24682 [0,2,0,0,0,0|2,0,0]=4 1312 B13R1.13 CN(C)c1cc(ccc1O)C(=O)O MB24683 [0,2,0,0,0,0|1,0,0]=3 1313 B13R1.13 c1c(c(cnc1C(=O)O)N)C(=O)O AB76522 [0,2,0,0,0,0|2,0,0]=4 1314 B13R1.13 c1c(cnc(c1C(=O)O)N)C(=O)O AB08682 [0,2,0,0,0,0|2,0,0]=4 1315 B13R1.13 c1cc(c(cc1C(=O)N)C(=O)O)O MB32738 [0,2,0,0,0,0|1,0,0]=3 1316 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)N)O MB30981 [0,2,0,0,0,0|0,0,1]=3 1317 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])F AB00828 [0,2,0,0,0,0|1,0,1]=4 1318 B13R1.13 c1cc(nc(c1N)C(=O)O)C(=O)O AB09105 [0,2,0,0,0,0|2,0,0]=4 1319 B13R1.49 CCc1cc(ccc1O)C(=O)NC MB23632 [0,2,0,0,0,0|2,0,0]=4 1320 B13R1.49 CCc1cc(ccc1O)C(=O)OC MB05558 [0,2,0,0,0,0|1,0,0]=3 1321 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)O MB25361 [0,2,0,0,0,0|2,0,0]=4 1322 B13R1.49 CNC(=O)c1ccc(c(c1)C=O)O MB25387 [0,2,0,0,0,0|1,0,1]=4 1323 B13R1.49 CNC(=O)c1ccc(c(c1)CN)O MB25390 [0,2,0,0,0,0|2,0,0]=4 1324 B13R1.49 CNC(=O)c1ccc(c(c1)SC)O MB33967 [0,2,0,0,0,0|1,1,0]=4 1325 B13R1.49 CNc1cc(ccc1O)C(=O)NC MB26316 [0,2,0,0,0,0|2,0,0]=4 1326 B13R1.49 COc1cc(ccc1I)C(=O)OC AB31122 [0,2,0,0,0,0|1,0,0]=3 1327 B13R1.49 COc1cc(cnc1N)C(=O)OC AB65595 [0,2,0,0,0,0|2,0,0]=4 1328 B13R1.49 Cc1ccc(cc1OC)C(=O)OC AB03124 [0,2,0,0,0,0|1,0,0]=3 1329 B13R1.298 COc1cc(cc(c1F)F)C(=O)O AB21041 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.298 COc1cc(cc(c1N)S)C(=O)O AB63831 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.651 COc1cc(c(cc1F)N)C(=O)O PB24212 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.3230 Cc1cnc(c(c1OC)C)C(=O)O PB31061 [0,2,0,0,0,0|2,0,0]=4 1333 B13R1.2398 COc1cc(c(cc1C(=O)O)S)N AB21385 [0,2,0,0,0,0|1,1,0]=4 1334 B13R1.2811 Cc1c(c(cc(c1F)F)C(=O)O)F AB21123 [0,2,0,0,0,0|2,0,0]=4 1335 B13R1.2811 c1c(c(c(c(c1F)F)F)N)C(=O)O AB42332 [0,2,0,0,0,0|2,0,0]=4 1336 B13R1.2811 c1c(c(c(c(c1N)F)F)F)C(=O)O AB62894 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.2812 c1c(c(c(c(c1F)F)F)C(=O)O)N AB51191 [0,2,0,0,0,0|2,0,0]=4 1338 B13R1.466 CCOC(=O)c1cc(c(cn1)N)O AB69458 [0,2,0,0,0,0|2,0,0]=4 1339 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)C MB09092 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Br MB07616 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O AB06968 [0,2,0,0,0,0|1,0,0]=3 1342 B13R1.466 CONC(=O)c1ccc(c(c1)N)F AB63530 [0,2,0,0,0,0|2,0,0]=4 1343 B13R1.466 Cc1ccc(cc1N)C(=O)NOC AB65706 [0,2,0,0,0,0|2,0,0]=4 1344 B13R1.466 Cc1ccc(cc1O)C(=O)NOC AB63537 [0,2,0,0,0,0|1,0,0]=3 1345 B13R1.2678 Cc1cc(cc(c1N)C)C(=O)OC PB22260 [0,2,0,0,0,0|2,0,0]=4 1346 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O AB07960 [0,1,0,1,0,0|1,0,1]=4 1347 B13R2.430 CC(=O)c1cc2c(nc1)OCO2 AB73670 [0,1,0,1,0,0|2,0,0]=4 1348 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,1,0,1,0,0|1,0,0]=3 1349 B13R2.430 c1cc(cc2c1cco2)C(=O)O MB01639 [0,1,0,1,0,0|1,0,0]=3 1350 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 AB30281 [0,1,0,1,0,0|2,0,0]=4 1351 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 PB28170 [0,1,0,1,0,0|2,0,0]=4 1352 B13R2.430 c1cc2c(cc1C(=O)O)cno2 AB70277 [0,1,0,1,0,0|1,0,0]=3 1353 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 AB29416 [0,1,0,1,0,0|1,1,0]=4 1354 B13R2.430 c1cc2c(cc1C(=O)O)scn2 AB03450 [0,1,0,1,0,0|1,1,0]=4 1355 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 AB12143 [0,1,0,1,0,0|1,1,0]=4 1356 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,1,0,1,0,0|1,0,0]=3 1357 B13R2.430 c1cc2c(ccs2)cc1C(=O)O MB03434 [0,1,0,1,0,0|1,1,0]=4 1358 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [1,0,0,0,1,0|2,0,0]=4 1359 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [1,0,0,0,1,0|2,0,0]=4 1360 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [1,0,0,0,1,0|2,0,0]=4 1361 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [1,0,0,0,1,0|2,0,0]=4 1362 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [1,0,0,0,1,0|2,0,0]=4 1363 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [1,0,0,0,1,0|2,0,0]=4 1364 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [1,0,0,0,1,0|2,0,0]=4 1365 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [1,0,0,0,1,0|2,0,0]=4 1366 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [1,0,0,0,1,0|2,0,0]=4 1367 B9R1.35 c1c(csc1F)C(=O)O PB18609 [1,0,0,0,1,0|2,0,0]=4 1368 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [1,0,0,0,1,0|2,0,0]=4 1369 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [1,0,0,0,1,0|2,0,0]=4 1370 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [1,0,0,0,1,0|2,0,0]=4 1371 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [1,0,0,0,1,0|2,0,0]=4 1372 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [1,0,0,0,1,0|2,0,0]=4 1373 B9R1.41 Cc1ccoc1C(=O)O AB01137 [1,0,0,0,1,0|2,0,0]=4 1374 B9R1.41 Cc1ccsc1C(=O)O AB00421 [1,0,0,0,1,0|2,0,0]=4 1375 B9R1.41 Cn1cccc1C(=O)O CB10008 [1,0,0,0,1,0|2,0,0]=4 1376 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [1,0,0,0,1,0|2,0,0]=4 1377 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [1,0,0,0,1,0|2,0,0]=4 1378 B9R1.41 c1coc(c1I)C(=O)O AB85068 [1,0,0,0,1,0|2,0,0]=4 1379 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [1,0,0,0,1,0|2,0,0]=4 1380 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [1,0,0,0,1,0|2,0,0]=4 1381 B9R1.41 c1csc(c1N)C(=O)O AB14784 [1,0,0,0,1,0|2,0,0]=4 1382 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [1,0,0,0,0,1|2,0,0]=4 1383 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [1,0,0,0,0,1|2,0,0]=4 1384 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [1,0,0,0,0,1|2,0,0]=4 1385 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [1,0,0,0,0,1|1,0,0]=3 1386 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [1,0,0,0,0,1|2,0,0]=4 1387 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [1,0,0,0,0,1|2,0,0]=4 1388 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [1,0,0,0,0,1|2,0,0]=4 1389 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [1,0,0,0,0,1|2,0,0]=4 1390 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [1,0,0,0,0,1|2,0,0]=4 1391 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [1,0,0,0,0,1|2,0,0]=4 1392 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [1,0,0,0,0,1|1,0,0]=3 1393 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [1,0,0,0,0,1|2,0,0]=4 1394 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [1,0,0,0,0,1|2,0,0]=4 1395 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [1,0,0,0,0,1|2,0,0]=4 1396 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,0,0,0,0,1|2,0,0]=4 1397 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [1,0,0,0,0,1|1,0,0]=3 1398 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [1,0,0,0,0,1|1,0,0]=3 1399 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [1,0,0,0,0,1|1,0,0]=3 1400 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [1,0,0,0,0,1|2,0,0]=4 1401 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [1,0,0,0,0,1|2,0,0]=4 1402 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [1,0,0,0,0,1|2,0,0]=4 1403 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [1,0,0,0,0,1|2,0,0]=4 1404 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [1,0,0,0,0,1|2,0,0]=4 1405 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl AB01193 [0,0,0,0,0,2|2,0,0]=4 1406 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F AB07245 [0,0,0,0,0,2|2,0,0]=4