0 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O TS09646 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 B(c1ccc(c(c1)C)F)(O)O TS70665 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O TS65984 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O TS65743 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O TS02690 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O TS13248 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.21 B(c1ccc(c(c1)F)Br)(O)O TS08995 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O TS09638 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.21 B(c1ccc(c(c1)F)F)(O)O TS65758 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.21 B(c1ccc(c(c1)F)O)(O)O TS02041 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS40959 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS50603 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.21 B(c1ccc(c(c1)N)Cl)(O)O TS20465 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.21 B(c1ccc(c(c1)N)F)(O)O TS65072 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,0,0,0,0,0|1,0,0]=1 27 B11R1.21 CC(C)c1ccc(c(c1)N)O TS41038 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])O TS88302 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.21 Cc1cc(ccc1Br)[N+](=O)[O-] TS85255 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.21 Cc1cc(ccc1Cl)[N+](=O)[O-] TS13068 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] TS01018 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] TS68683 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,0,0,0,0,0|2,0,0]=2 46 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] TS01124 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,0,0,0,0,0|1,0,0]=1 49 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [0,0,0,0,0,0|2,0,1]=3 50 B11R1.21 Cc1cc(cnc1O)[N+](=O)[O-] TS55385 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,0,0,0,0,0|3,1,0]=4 62 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,0,0,0,0,0|2,0,0]=2 65 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,0,0,0,0,0|3,1,0]=4 71 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,0,0,0,0,0|2,0,0]=2 73 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,0,0,0,0,0|2,0,0]=2 76 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,0,0,0,0,0|1,0,0]=1 79 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [0,0,0,0,0,0|2,0,1]=3 81 B11R1.21 Cc1cnc(cn1=O)C(=O)O TS55719 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O TS86196 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [0,0,0,0,0,0|2,0,1]=3 84 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [0,0,0,0,0,0|2,0,1]=3 85 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] TS16868 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.21 c1c(cnc(c1Cl)O)[N+](=O)[O-] TS65973 [0,0,0,0,0,0|3,0,1]=4 93 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.21 c1c(cnc(c1N)O)[N+](=O)[O-] TS41484 [0,0,0,0,0,0|3,0,1]=4 95 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O TS89514 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O TS92409 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.21 c1cc(c(cc1C(=N)N)Br)F TS28516 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS20682 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS45558 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.21 c1cc(c(cc1C(=N)N)F)Br TS22165 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS10659 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS17575 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [0,0,0,0,0,0|1,0,0]=1 114 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [0,0,0,0,0,0|1,0,0]=1 118 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [0,0,0,0,0,0|2,0,0]=2 119 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [0,0,0,0,0,0|2,0,0]=2 120 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [0,0,0,0,0,0|2,0,0]=2 121 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [0,0,0,0,0,0|2,0,0]=2 122 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [0,0,0,0,0,0|1,0,0]=1 123 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [0,0,0,0,0,0|2,0,0]=2 124 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [0,0,0,0,0,0|2,0,0]=2 125 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [0,0,0,0,0,0|2,0,0]=2 126 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [0,0,0,0,0,0|2,0,0]=2 127 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [0,0,0,0,0,0|2,0,0]=2 128 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [0,0,0,0,0,0|1,0,0]=1 129 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [0,0,0,0,0,0|2,0,0]=2 130 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [0,0,0,0,0,0|2,0,0]=2 131 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [0,0,0,0,0,0|2,0,0]=2 132 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [0,0,0,0,0,0|2,0,0]=2 133 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [0,0,0,0,0,0|1,0,0]=1 134 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [0,0,0,0,0,0|2,0,0]=2 135 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [0,0,0,0,0,0|2,0,0]=2 136 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [0,0,0,0,0,0|2,0,0]=2 137 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [0,0,0,0,0,0|2,0,0]=2 138 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [0,0,0,0,0,0|2,0,0]=2 139 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [0,0,0,0,0,0|1,0,0]=1 140 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [0,0,0,0,0,0|1,0,0]=1 141 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [0,0,0,0,0,0|1,0,0]=1 142 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [0,0,0,0,0,0|1,0,0]=1 143 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [0,0,0,0,0,0|1,0,0]=1 144 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [0,0,0,0,0,0|1,0,0]=1 145 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [0,0,0,0,0,0|0,0,0]=0 146 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [0,0,0,0,0,0|1,1,0]=2 147 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [0,0,0,0,0,0|2,0,1]=3 148 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [0,0,0,0,0,0|0,0,1]=1 149 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl TS38924 [0,0,0,0,0,0|3,1,0]=4 150 B11R1.21 c1cc(c(cc1C(=S)N)Cl)F TS16258 [0,0,0,0,0,0|3,1,0]=4 151 B11R1.21 c1cc(c(cc1N(=O)=O)Br)Cl TS65917 [0,0,0,0,0,0|3,0,1]=4 152 B11R1.21 c1cc(c(cc1N(=O)=O)Br)F TS09447 [0,0,0,0,0,0|3,0,1]=4 153 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)Cl TS51388 [0,0,0,0,0,0|3,0,1]=4 154 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)F TS02686 [0,0,0,0,0,0|3,0,1]=4 155 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)I TS54659 [0,0,0,0,0,0|3,0,1]=4 156 B11R1.21 c1cc(c(cc1N(=O)=O)F)Cl TS09635 [0,0,0,0,0,0|3,0,1]=4 157 B11R1.21 c1cc(c(cc1N(=O)=O)F)F TS65757 [0,0,0,0,0,0|3,0,1]=4 158 B11R1.21 c1cc(c(cc1N(=O)=O)F)I TS02751 [0,0,0,0,0,0|3,0,1]=4 159 B11R1.21 c1cc(c(cc1S(=O)[O-])Cl)Cl TS30625 [0,0,0,0,0,0|3,0,1]=4 160 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N TS08338 [0,0,0,0,0,0|3,0,1]=4 161 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O TS55107 [0,0,0,0,0,0|2,0,1]=3 162 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)N TS00070 [0,0,0,0,0,0|3,0,1]=4 163 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O TS00892 [0,0,0,0,0,0|2,0,1]=3 164 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N TS02164 [0,0,0,0,0,0|3,0,1]=4 165 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)Cl TS54658 [0,0,0,0,0,0|3,0,1]=4 166 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)I TS67002 [0,0,0,0,0,0|3,0,1]=4 167 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N TS01071 [0,0,0,0,0,0|3,0,1]=4 168 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O TS02010 [0,0,0,0,0,0|2,0,1]=3 169 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br TS55130 [0,0,0,0,0,0|3,0,1]=4 170 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl TS00918 [0,0,0,0,0,0|3,0,1]=4 171 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F TS01011 [0,0,0,0,0,0|3,0,1]=4 172 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N TS09756 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N TS50981 [0,0,0,0,0,0|3,0,1]=4 174 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS00757 [0,0,0,0,0,0|2,0,1]=3 175 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS13773 [0,0,0,0,0,0|2,0,1]=3 176 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl TS00923 [0,0,0,0,0,0|2,0,1]=3 177 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F TS01016 [0,0,0,0,0,0|2,0,1]=3 178 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)N TS47449 [0,0,0,0,0,0|2,0,1]=3 179 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [0,0,0,0,0,0|1,0,1]=2 180 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [1,0,0,0,0,0|1,0,1]=3 186 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [1,0,0,0,0,0|1,1,1]=4 187 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,0,0,0,0,0|1,0,1]=3 204 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,0,0,0,0,0|1,0,0]=2 220 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,0,0,0,0,0|2,1,0]=4 221 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,0,0,0,0,0|2,0,1]=4 222 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,0,0,0,0,0|2,0,0]=3 234 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [1,0,0,0,0,0|2,0,1]=4 251 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,0,0,0,0,0|1,0,1]=3 252 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,0,0,0,0,0|1,0,0]=2 272 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,0,0,0,0,0|1,0,0]=2 273 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,0,0,0,0,0|1,0,0]=2 274 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,0,0,0,0,0|1,0,0]=2 275 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,0,0,0,0,0|1,0,0]=2 276 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,0,0,0,0,0|1,0,0]=2 277 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,0,0,0,0,0|1,0,0]=2 278 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,0,0,0,0,0|0,0,0]=1 279 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,0,0,0,0,0|0,1,0]=2 280 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,0,0,0,0,0|1,0,1]=3 281 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,0,0,0,0,0|1,0,1]=3 282 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,0,0,0,0,0|1,0,1]=3 283 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,0,0,0,0,0|0,0,1]=2 284 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,0,0,0,0,0|0,0,1]=2 285 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,0,0,0,0,0|2,1,0]=4 286 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,0,0,0,0,0|2,1,0]=4 287 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,0,0,0,0,0|2,1,0]=4 288 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,0,0,0,0,0|2,1,0]=4 289 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,0,0,0,0,0|1,1,0]=3 290 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,0,0,0,0,0|2,0,1]=4 294 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,0,0,0,0,0|2,0,1]=4 296 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,0,0,0,0,0|2,0,1]=4 299 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,0,0,0,0,0|1,0,1]=3 300 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,0,0,0,0,0|1,0,1]=3 301 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,0,0,0,0,0|1,1,1]=4 302 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,0,0,0,0,0|1,0,0]=2 314 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,0,0,0,0,0|1,1,0]=3 315 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,0,0,0,0,0|2,0,0]=3 316 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,0,0,0,0,0|2,0,0]=3 317 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,0,0,0,0,0|2,0,0]=3 319 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,0,0,0,0,0|1,0,0]=2 321 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [1,0,0,0,0,0|2,0,1]=4 322 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [1,0,0,0,0,0|2,0,1]=4 323 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [1,0,0,0,0,0|2,0,0]=3 326 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,0,0,0,0,0|1,0,1]=3 327 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [1,0,0,0,0,0|2,0,1]=4 328 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [1,0,0,0,0,0|2,0,1]=4 329 B10R1.113 B(c1cccc(c1)Cl)(O)O TS02723 [1,0,0,0,0,0|2,0,1]=4 330 B10R1.113 B(c1cccc(c1)I)(O)O TS93559 [1,0,0,0,0,0|2,0,1]=4 331 B10R1.113 B(c1cccc(c1)N)(O)O TS85488 [1,0,0,0,0,0|2,0,1]=4 332 B10R1.113 B(c1cccc(c1)N)(O)O TS94599 [1,0,0,0,0,0|2,0,1]=4 333 B10R1.113 B(c1cccc(c1)N)(O)O TS94634 [1,0,0,0,0,0|2,0,1]=4 334 B10R1.113 B(c1cccc(c1)N)(O)O TS94676 [1,0,0,0,0,0|2,0,1]=4 335 B10R1.113 B(c1cccc(c1)O)(O)O TS02793 [1,0,0,0,0,0|1,0,1]=3 336 B10R1.113 B(c1cccc(c1)S)(O)O TS41329 [1,0,0,0,0,0|1,1,1]=4 337 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [1,0,0,0,0,0|2,0,1]=4 340 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,0,0,0,0,0|2,0,0]=3 341 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,0,0,0,0,0|2,0,0]=3 342 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,0,0,0,0,0|2,0,0]=3 343 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,0,0,0,0,0|2,0,0]=3 344 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,0,0,0,0,0|2,0,0]=3 345 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,0,0,0,0,0|1,0,0]=2 346 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,0,0,0,0,0|2,0,1]=4 350 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,0,0,0,0,0|2,0,1]=4 351 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,0,0,0,0,0|2,0,1]=4 352 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,0,0,0,0,0|2,0,1]=4 353 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,0,0,0,0,0|2,0,1]=4 354 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,0,0,0,0,0|2,0,1]=4 356 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,0,0,0,0,0|2,0,1]=4 357 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [1,0,0,0,0,0|2,0,0]=3 360 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [1,0,0,0,0,0|2,0,0]=3 362 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [1,0,0,0,0,0|2,0,0]=3 363 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,0,0,0,0,0|2,0,0]=3 366 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,0,0,0,0,0|2,0,0]=3 368 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [1,0,0,0,0,0|1,0,0]=2 369 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,0,0,0,0,0|2,1,0]=4 370 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,0,0,0,0,0|2,0,1]=4 371 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [1,0,0,0,0,0|2,0,1]=4 372 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [1,0,0,0,0,0|2,0,1]=4 378 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [1,0,0,0,0,0|3,0,0]=4 379 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [1,0,0,0,0,0|2,0,0]=3 382 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [1,0,0,0,0,0|1,0,0]=2 386 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [1,0,0,0,0,0|1,0,0]=2 387 B10R1.113 c1c(cncc1O)[N+](=O)[O-] TS06415 [1,0,0,0,0,0|2,0,1]=4 388 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [1,0,0,0,0,0|2,0,0]=3 391 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [1,0,0,0,0,0|2,0,0]=3 394 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,0,0,0,0,0|2,0,0]=3 395 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [1,0,0,0,0,0|1,0,0]=2 396 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [1,0,0,0,0,0|2,1,0]=4 397 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [1,0,0,0,0,0|2,0,1]=4 398 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [1,0,0,0,0,0|2,0,0]=3 401 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [1,0,0,0,0,0|1,0,0]=2 403 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [1,0,0,0,0,0|2,1,0]=4 404 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [1,0,0,0,0,0|2,0,1]=4 405 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [1,0,0,0,0,0|3,0,0]=4 407 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [1,0,0,0,0,0|2,0,0]=3 408 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,0,0,0,0,0|2,0,0]=3 409 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [1,0,0,0,0,0|1,0,0]=2 410 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [1,0,0,0,0,0|1,0,1]=3 411 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [1,0,0,0,0,0|2,1,0]=4 412 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [1,0,0,0,0,0|2,0,0]=3 413 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,0,0,0,0,0|2,0,0]=3 414 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [1,0,0,0,0,0|1,0,0]=2 415 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [1,0,0,0,0,0|2,1,0]=4 416 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [1,0,0,0,0,0|2,0,1]=4 417 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,0,0,0,0,0|2,0,0]=3 419 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [1,0,0,0,0,0|1,0,0]=2 420 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [1,0,0,0,0,0|1,0,0]=2 421 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [1,0,0,0,0,0|1,0,1]=3 422 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [1,0,0,0,0,0|2,1,0]=4 423 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,0,0,0,0,0|1,0,0]=2 424 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [1,0,0,0,0,0|0,0,0]=1 425 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [1,0,0,0,0,0|0,0,1]=2 426 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [1,0,0,0,0,0|1,1,0]=3 427 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [1,0,0,0,0,0|1,0,1]=3 428 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [1,0,0,0,0,0|0,1,0]=2 429 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [1,0,0,0,0,0|2,0,1]=4 430 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [1,0,0,0,0,0|2,0,1]=4 431 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [1,0,0,0,0,0|1,0,1]=3 432 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [1,0,0,0,0,0|2,0,0]=3 434 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [1,0,0,0,0,0|2,0,0]=3 435 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [1,0,0,0,0,0|2,0,0]=3 436 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [1,0,0,0,0,0|2,0,0]=3 438 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [1,0,0,0,0,0|2,0,0]=3 439 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [1,0,0,0,0,0|1,0,0]=2 440 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [1,0,0,0,0,0|1,0,1]=3 441 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [1,0,0,0,0,0|2,0,1]=4 442 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [1,0,0,0,0,0|3,0,0]=4 443 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [1,0,0,0,0,0|2,0,0]=3 444 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [1,0,0,0,0,0|2,0,0]=3 449 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [1,0,0,0,0,0|2,0,0]=3 450 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [1,0,0,0,0,0|2,0,0]=3 451 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [1,0,0,0,0,0|2,0,0]=3 452 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [1,0,0,0,0,0|2,0,0]=3 453 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [1,0,0,0,0,0|1,0,0]=2 454 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [1,0,0,0,0,0|3,0,0]=4 455 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [1,0,0,0,0,0|3,0,0]=4 456 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [1,0,0,0,0,0|2,0,0]=3 457 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [1,0,0,0,0,0|2,0,0]=3 458 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [1,0,0,0,0,0|2,0,0]=3 459 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [1,0,0,0,0,0|2,0,0]=3 460 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [1,0,0,0,0,0|1,0,0]=2 461 B10R1.113 c1cnc(cc1O)[N+](=O)[O-] TS06411 [1,0,0,0,0,0|2,0,1]=4 462 B10R1.113 c1cnc(cc1[N+](=O)[O-])O TS06413 [1,0,0,0,0,0|2,0,1]=4 463 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [1,0,0,0,0,0|3,0,0]=4 464 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [1,0,0,0,0,0|1,0,1]=3 465 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [1,0,0,0,0,0|3,0,0]=4 466 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [1,0,0,0,0,0|3,0,0]=4 467 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,0,0,0,0,0|2,0,1]=4 468 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,0,0,0,0,0|2,0,1]=4 469 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,0,0,0,0,0|1,0,1]=3 470 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [1,0,0,0,0,0|3,0,0]=4 471 B10R1.176 COc1ccc(c(c1)F)O TS55337 [1,0,0,0,0,0|3,0,0]=4 472 B10R1.176 COc1ccc(c(c1)N)O TS08806 [1,0,0,0,0,0|3,0,0]=4 473 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [1,0,0,0,0,0|3,0,0]=4 474 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [1,0,0,0,0,0|3,0,0]=4 475 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,0,0,0,0,0|3,0,0]=4 476 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [1,0,0,0,0,0|3,0,0]=4 477 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,0,0,0,0,0|2,0,0]=3 478 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,0,0,0,0,0|2,0,0]=3 479 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,0,0,0,0,0|2,0,1]=4 480 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [1,0,0,0,0,0|3,0,0]=4 481 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [1,0,0,0,0,0|3,0,0]=4 482 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [1,0,0,0,0,0|3,0,0]=4 483 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,0,0,0,0,0|2,0,0]=3 484 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,0,0,0,0,0|2,0,1]=4 485 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,0,0,0,0,0|2,0,0]=3 486 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,0,0,0,0,0|2,0,1]=4 487 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,0,0,0,0,0|2,0,1]=4 488 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,0,0,0,0,0|1,0,0]=2 489 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [1,0,0,0,0,0|2,0,1]=4 490 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [1,0,0,0,0,0|3,0,0]=4 491 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [1,0,0,0,0,0|2,0,0]=3 492 B10R1.176 c1c(occ(c1=O)O)CO TS06646 [1,0,0,0,0,0|1,0,2]=4 493 B10R1.176 c1c(occ(c1=O)O)CO TS42677 [1,0,0,0,0,0|1,0,2]=4 494 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [1,0,0,0,0,0|2,0,1]=4 495 B10R1.176 c1cc(c(cc1C#N)Cl)O TS02694 [1,0,0,0,0,0|2,0,1]=4 496 B10R1.176 c1cc(c(cc1C#N)F)O TS65508 [1,0,0,0,0,0|2,0,1]=4 497 B10R1.176 c1cc(c(cc1C#N)N)O TS60259 [1,0,0,0,0,0|2,0,1]=4 498 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [1,0,0,0,0,0|2,0,1]=4 499 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [1,0,0,0,0,0|1,0,1]=3 500 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [1,0,0,0,0,0|2,0,0]=3 501 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [1,0,0,0,0,0|2,0,0]=3 502 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,0,0,0,0,0|1,0,0]=2 503 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [1,0,0,0,0,0|2,0,0]=3 504 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [1,0,0,0,0,0|2,0,0]=3 505 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [1,0,0,0,0,0|1,0,0]=2 506 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [1,0,0,0,0,0|2,0,0]=3 507 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [1,0,0,0,0,0|2,0,0]=3 508 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [1,0,0,0,0,0|2,0,0]=3 509 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [1,0,0,0,0,0|2,0,0]=3 510 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [1,0,0,0,0,0|1,0,0]=2 511 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [1,0,0,0,0,0|2,0,0]=3 512 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [1,0,0,0,0,0|2,0,0]=3 513 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [1,0,0,0,0,0|1,0,0]=2 514 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,0,0,0,0,0|1,0,0]=2 515 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,0,0,0,0,0|0,0,0]=1 516 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [1,0,0,0,0,0|2,0,1]=4 517 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,0,0,0,0,0|1,0,1]=3 518 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,0,0,0,0,0|1,0,1]=3 519 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,0,0,0,0,0|1,0,1]=3 520 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [1,0,0,0,0,0|2,0,1]=4 521 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [1,0,0,0,0,0|2,0,1]=4 522 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [1,0,0,0,0,0|2,0,1]=4 523 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [1,0,0,0,0,0|2,0,1]=4 524 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [1,0,0,0,0,0|2,0,1]=4 525 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,0,0,0,0,0|1,0,1]=3 526 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,0,0,0,0,0|0,0,1]=2 527 B12R1.23 CC(C)(C)c1ccc(c(c1)O)O TS43109 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)O TS85350 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.23 CS(=O)(=O)c1ccc(c(c1)N)O TS71238 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.23 Cc1cc(ccc1N)S(=O)(=O)O TS50552 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)O TS50717 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.23 Cc1ccc(cc1N)S(=O)(=O)O TS50551 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.23 c1cc(c(cc1S(=O)(=O)N)N)O TS65859 [0,1,0,0,0,0|2,0,1]=4 534 B12R1.23 c1cc(c(cc1S(=O)(=O)O)Cl)Cl TS24319 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.23 c1cc(c(cc1S(=O)(=O)O)Cl)N TS20436 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.23 c1cc(c(cc1S(=O)(=O)O)N)Cl TS20438 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.23 c1cc(c(cc1S(=O)(=O)O)N)N TS15961 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.23 c1cc(c(cc1S(=O)(=O)O)N)O TS50893 [0,1,0,0,0,0|2,0,0]=3 539 B12R1.23 c1cc(c(cc1[As](=O)(O)O)N)O TS53424 [0,1,0,0,0,0|2,0,0]=3 540 B12R1.48 B(c1ccc(c(c1)C)OC)(O)O TS71212 [0,1,0,0,0,0|2,0,1]=4 541 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O TS48977 [0,1,0,0,0,0|2,0,1]=4 542 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O TS85489 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.48 B(c1ccc(c(c1)N)OC)(O)O TS19640 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC TS60195 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC TS15382 [0,1,0,0,0,0|2,0,0]=3 546 B12R1.48 CC(=O)c1ccc(c(c1)F)OC TS65512 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.48 CC(=O)c1ccc(c(c1)I)OC TS31071 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.48 CC(=O)c1ccc(c(c1)O)OC TS12200 [0,1,0,0,0,0|1,0,0]=2 549 B12R1.48 CCc1ccc(cc1Br)C(=O)O TS52793 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.48 CCc1ccc(cc1I)C(=O)O TS31070 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.48 CCc1ccc(cc1N)C(=O)O TS08863 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.48 CCc1ccc(cc1O)C(=O)O TS43034 [0,1,0,0,0,0|1,0,0]=2 553 B12R1.48 CNc1ccc(cc1Br)C(=O)O TS24819 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.48 CNc1ccc(cc1I)C(=O)O TS31198 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.48 CNc1ccc(cc1N)C(=O)O TS12227 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl TS65155 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.48 COc1ccc(cc1Br)C(=N)N TS24663 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.48 COc1ccc(cc1Br)C(=O)O TS09328 [0,1,0,0,0,0|1,0,0]=2 559 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] TS53254 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.48 COc1ccc(cc1Cl)C(=O)O TS15714 [0,1,0,0,0,0|1,0,0]=2 561 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] TS08830 [0,1,0,0,0,0|2,0,1]=4 562 B12R1.48 COc1ccc(cc1F)C(=O)O TS65513 [0,1,0,0,0,0|1,0,0]=2 563 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] TS55345 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.48 COc1ccc(cc1I)C(=O)O TS39441 [0,1,0,0,0,0|1,0,0]=2 565 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] TS54200 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.48 COc1ccc(cc1N)C(=O)N TS12206 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.48 COc1ccc(cc1N)C(=O)O TS43206 [0,1,0,0,0,0|1,0,0]=2 568 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS01096 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS19862 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.48 COc1ccc(cc1O)C(=O)O TS44828 [0,1,0,0,0,0|0,0,0]=1 571 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS12651 [0,1,0,0,0,0|1,0,1]=3 572 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS52156 [0,1,0,0,0,0|1,0,1]=3 573 B12R1.48 COc1ccc(nc1Br)C(=O)O TS53250 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.48 Cc1cc(ccc1C#N)C(=O)O TS11368 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.48 Cc1cc(ccc1OC)C(=O)O TS12189 [0,1,0,0,0,0|1,0,0]=2 576 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] TS12371 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.48 c1cc(c(cc1C(=O)O)F)C#N TS07789 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.48 c1cc(c(cc1C(=O)O)O)C=O TS12141 [0,1,0,0,0,0|0,0,1]=2 579 B12R1.48 c1cc(c(cc1[N+](=O)[O-])N)CO TS12501 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C#N TS65436 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O TS02007 [0,1,0,0,0,0|1,0,2]=4 582 B12R1.56 B(c1ccc(c(c1)CO)F)(O)O TS64981 [0,1,0,0,0,0|2,0,1]=4 583 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O TS46468 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.56 B(c1ccc(c(c1)OC)Cl)(O)O TS85493 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O TS07663 [0,1,0,0,0,0|2,0,1]=4 586 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O TS42285 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,1,0,0,0,0|1,0,0]=2 591 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [0,1,0,0,0,0|1,0,1]=3 592 B12R1.56 CCc1cc(ccc1F)C(=O)O TS44846 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [0,1,0,0,0,0|1,0,0]=2 594 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] TS55131 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,1,0,0,0,0|1,0,0]=2 596 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] TS00919 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.56 COc1cc(ccc1F)N(=O)=O TS01012 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] TS09307 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [0,1,0,0,0,0|1,0,0]=2 601 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] TS09310 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [0,1,0,0,0,0|0,0,0]=1 603 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [0,1,0,0,0,0|0,0,1]=2 604 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [0,1,0,0,0,0|1,0,1]=3 605 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [0,1,0,0,0,0|1,0,1]=3 606 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] TS65096 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [0,1,0,0,0,0|2,0,0]=3 608 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [0,1,0,0,0,0|1,0,0]=2 609 B12R1.56 Cc1ccc(cc1OC)[N+](=O)[O-] TS39679 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.56 c1cc(c(cc1C(=O)N)C=O)F TS65136 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.56 c1cc(c(cc1C(=O)O)C#N)F TS09362 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.56 c1cc(c(cc1C(=O)O)C=O)F TS12470 [0,1,0,0,0,0|1,0,1]=3 613 B12R1.56 c1cc(c(cc1C(=O)O)C=O)O TS12140 [0,1,0,0,0,0|0,0,1]=2 614 B12R1.56 c1cc(c(cc1N(=O)=O)[Hg]Cl)O TS66966 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C=O)O TS09185 [0,1,0,0,0,0|1,0,2]=4 616 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CBr)O TS53249 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CCl)O TS50617 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)Cl TS50609 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)F TS45272 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)O TS12642 [0,1,0,0,0,0|1,0,1]=3 621 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F TS39128 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F TS17188 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.232 CC(=O)c1cc(c(cc1F)F)F TS65321 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O TS00007 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F TS02220 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.232 Cc1cc(c(cc1C(=O)O)I)C TS31072 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.232 Cc1cc(c(cc1C)C(=O)O)C TS11857 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.232 Cc1cc(c(cc1F)C(=O)Cl)F TS17187 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F TS02134 [0,1,0,0,0,0|2,0,0]=3 635 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O TS02127 [0,1,0,0,0,0|2,0,0]=3 636 B12R1.232 Cc1cc(c(cc1O)C(=O)O)Cl TS32912 [0,1,0,0,0,0|1,0,0]=2 637 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,1,0,0,0,0|2,0,0]=3 638 B12R1.232 Cc1cc(c(cc1O)[N+](=O)[O-])F TS45273 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.232 c1c(c(cc(c1Br)Br)F)C(=O)O TS55992 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O TS65026 [0,1,0,0,0,0|2,0,0]=3 641 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,1,0,0,0,0|2,0,0]=3 642 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS25324 [0,1,0,0,0,0|1,0,0]=2 643 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS28135 [0,1,0,0,0,0|1,0,0]=2 644 B12R1.232 c1c(c(cc(c1Cl)Br)Cl)C(=O)O TS16759 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O TS09827 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.232 c1c(c(cc(c1Cl)[N+](=O)[O-])O)N TS16075 [0,1,0,0,0,0|2,0,1]=4 650 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)Cl TS74182 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O TS60382 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl TS24412 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N TS20479 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl TS43929 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O TS16836 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)Cl TS43931 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O TS00873 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl TS17960 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)N TS45907 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O TS00582 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] TS53952 [0,1,0,0,0,0|2,0,1]=4 664 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O TS34691 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O TS02906 [0,1,0,0,0,0|2,0,0]=3 666 B12R1.232 c1c(c(cc(c1F)N)F)C(=O)O TS65116 [0,1,0,0,0,0|2,0,0]=3 667 B12R1.232 c1c(c(cc(c1F)O)F)[N+](=O)[O-] TS13634 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,1,0,0,0,0|2,0,0]=3 669 B12R1.232 c1c(c(cc(c1O)Br)F)[N+](=O)[O-] TS55102 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.232 c1c(c(cc(c1O)Cl)Cl)[N+](=O)[O-] TS20476 [0,1,0,0,0,0|2,0,1]=4 671 B12R1.232 c1c(c(cc(c1O)Cl)F)[N+](=O)[O-] TS00882 [0,1,0,0,0,0|2,0,1]=4 672 B12R1.232 c1c(c(cc(c1O)O)O)C(=O)O TS12755 [0,1,0,0,0,0|0,0,0]=1 673 B12R1.232 c1c(c(cc(c1[N+](=O)[O-])O)O)N TS39102 [0,1,0,0,0,0|2,0,1]=4 674 B12R1.232 c1c(c(nc(c1F)Cl)Cl)C(=O)O TS43716 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.232 c1c(c(nc(c1F)F)F)C(=O)O TS46218 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.367 CC(=NO)c1ccc(c(c1)Cl)Cl TS19675 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F TS25009 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl TS19511 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F TS48998 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)N TS48495 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.367 CCC(=O)c1ccc(c(c1)F)F TS45098 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.367 CCC(=O)c1ccc(c(c1)O)O TS12197 [0,1,0,0,0,0|1,0,0]=2 684 B12R1.367 COC(=O)c1cc(c(=O)oc1)Br TS25325 [0,1,0,0,0,0|2,0,1]=4 685 B12R1.367 COC(=O)c1cc(c(cn1)O)O TS91711 [0,1,0,0,0,0|1,0,0]=2 686 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br TS56305 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl TS20085 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.367 COC(=O)c1cc(c(nc1)N)Br TS16591 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.367 COC(=O)c1cc(c(nc1)O)O TS92420 [0,1,0,0,0,0|1,0,0]=2 690 B12R1.367 COC(=O)c1ccc(c(c1)Br)F TS65232 [0,1,0,0,0,0|2,0,0]=3 691 B12R1.367 COC(=O)c1ccc(c(c1)Br)I TS22773 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.367 COC(=O)c1ccc(c(c1)Br)N TS02975 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.367 COC(=O)c1ccc(c(c1)Br)O TS53113 [0,1,0,0,0,0|1,0,0]=2 694 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl TS19901 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N TS15518 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O TS15704 [0,1,0,0,0,0|1,0,0]=2 697 B12R1.367 COC(=O)c1ccc(c(c1)F)Br TS56288 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.367 COC(=O)c1ccc(c(c1)F)F TS45413 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.367 COC(=O)c1ccc(c(c1)F)O TS45080 [0,1,0,0,0,0|1,0,0]=2 700 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl TS58672 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.367 COC(=O)c1ccc(c(c1)I)N TS39545 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.367 COC(=O)c1ccc(c(c1)I)O TS02307 [0,1,0,0,0,0|1,0,0]=2 703 B12R1.367 COC(=O)c1ccc(c(c1)N)Br TS65465 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl TS08570 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.367 COC(=O)c1ccc(c(c1)N)N TS08563 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.367 COC(=O)c1ccc(c(c1)N)O TS65231 [0,1,0,0,0,0|1,0,0]=2 707 B12R1.367 COC(=O)c1ccc(c(c1)O)F TS33164 [0,1,0,0,0,0|1,0,0]=2 708 B12R1.367 COC(=O)c1ccc(c(c1)O)I TS02316 [0,1,0,0,0,0|1,0,0]=2 709 B12R1.367 COC(=O)c1ccc(c(c1)O)N TS39548 [0,1,0,0,0,0|1,0,0]=2 710 B12R1.367 COC(=O)c1ccc(c(c1)O)O TS08564 [0,1,0,0,0,0|0,0,0]=1 711 B12R1.367 COC(=O)c1ccc(c(n1)N)Br TS25006 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.367 COC(=O)c1ccc(c(n1)O)O TS88111 [0,1,0,0,0,0|1,0,0]=2 713 B12R1.367 Cc1cc(ccc1Br)C(=O)OC TS56289 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.367 Cc1cc(ccc1I)C(=O)OC TS16570 [0,1,0,0,0,0|2,0,0]=3 716 B12R1.367 Cc1cc(ccc1N)C(=O)OC TS08592 [0,1,0,0,0,0|2,0,0]=3 717 B12R1.367 Cc1cc(ncc1Br)C(=O)OC TS16789 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.367 Cc1cc(ncc1N)C(=O)OC TS85853 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.367 Cc1ccc(cc1Br)C(=O)OC TS56265 [0,1,0,0,0,0|2,0,0]=3 720 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [0,1,0,0,0,0|2,0,0]=3 721 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC TS32935 [0,1,0,0,0,0|2,0,0]=3 722 B12R1.367 Cc1ccc(cc1F)C(=NO)N TS12510 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.367 Cc1ccc(cc1I)C(=O)OC TS31074 [0,1,0,0,0,0|2,0,0]=3 724 B12R1.367 Cc1ccc(cc1N)C(=O)OC TS08571 [0,1,0,0,0,0|2,0,0]=3 725 B12R1.367 Cc1ccc(cc1O)C(=O)OC TS70610 [0,1,0,0,0,0|1,0,0]=2 726 B12R1.367 Cn1cc(ccc1=O)C(=O)OC TS85514 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.367 Cn1ccc(cc1=O)C(=O)OC TS89885 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.367 c1cc(c(cc1C(=NO)N)Br)F TS53414 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.367 c1cc(c(cc1C(=O)C#N)Cl)F TS15180 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl TS30477 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.367 c1cc(c(cc1C(=O)CBr)F)F TS25675 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl TS50373 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O TS15720 [0,1,0,0,0,0|1,0,0]=2 734 B12R1.367 c1cc(c(cc1C(=O)CN)Cl)Cl TS26602 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.367 c1cc(c(cc1C(=O)NN)Br)Cl TS27947 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Br TS27948 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Cl TS38742 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.367 c1cc(c(cc1C(=O)NN)F)F TS45423 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.367 c1cc(c(cc1C(=O)NN)N)N TS43079 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.367 c1cc(c(cc1C(=O)NN)O)O TS12503 [0,1,0,0,0,0|1,0,0]=2 741 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS38882 [0,1,0,0,0,0|1,0,1]=3 742 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS45000 [0,1,0,0,0,0|1,0,1]=3 743 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O TS38881 [0,1,0,0,0,0|1,0,1]=3 744 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl TS50370 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.893 CC(=O)c1ccc(c(c1F)F)F TS65297 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,1,0,0,0,0|1,0,0]=2 747 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C TS65115 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.893 Cc1c(c(ccc1[N+](=O)[O-])O)C TS43221 [0,1,0,0,0,0|2,0,1]=4 749 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F TS17189 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F TS09230 [0,1,0,0,0,0|2,0,0]=3 751 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O TS60318 [0,1,0,0,0,0|2,0,0]=3 752 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.893 Cc1ccc(c(c1Br)N)C(=O)O TS22757 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.893 Cc1ccc(c(c1C)I)C(=O)O TS31075 [0,1,0,0,0,0|2,0,0]=3 755 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.893 Cc1ccc(c(c1F)C)C(=O)O TS44852 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl TS17191 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N TS12968 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O TS45420 [0,1,0,0,0,0|2,0,0]=3 761 B12R1.893 Cc1ccc(c(c1I)N)C(=O)O TS47367 [0,1,0,0,0,0|2,0,0]=3 762 B12R1.893 Cc1ccc(c(c1O)Cl)[N+](=O)[O-] TS02168 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.893 c1c(c(c(c(n1)F)F)Cl)C(=O)O TS86152 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F TS09345 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F TS17958 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F TS45908 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F TS65373 [0,1,0,0,0,0|2,0,0]=3 768 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,1,0,0,0,0|2,0,0]=3 769 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F TS02327 [0,1,0,0,0,0|2,0,0]=3 770 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F TS09343 [0,1,0,0,0,0|2,0,0]=3 771 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br TS02331 [0,1,0,0,0,0|2,0,0]=3 772 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F TS00534 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I TS34692 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N TS39461 [0,1,0,0,0,0|2,0,0]=3 776 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O TS02333 [0,1,0,0,0,0|1,0,0]=2 777 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F TS09229 [0,1,0,0,0,0|1,0,0]=2 778 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O TS12754 [0,1,0,0,0,0|0,0,0]=1 779 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F TS53951 [0,1,0,0,0,0|2,0,1]=4 780 B12R1.893 c1cc(c(c(c1[N+](=O)[O-])Cl)Cl)O TS40016 [0,1,0,0,0,0|2,0,1]=4 781 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br TS58433 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)N)Cl TS19678 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl TS19909 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)F TS02516 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.1005 CC(=O)c1cc(c(c(c1)F)N)F TS12963 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.1005 Cc1c(cc(cc1Br)C(=O)O)Br TS02350 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.1005 Cc1c(cc(cc1Cl)C(=O)O)Cl TS19907 [0,1,0,0,0,0|2,0,0]=3 788 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)N TS65473 [0,1,0,0,0,0|2,0,0]=3 789 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)O TS65515 [0,1,0,0,0,0|1,0,0]=2 790 B12R1.1005 Cc1c(cc(cc1O)C(=O)O)O TS12482 [0,1,0,0,0,0|1,0,0]=2 791 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)N TS24461 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)O TS42758 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.1005 Cc1cc(cc(c1N)C)C(=O)N TS11906 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.1005 Cc1cc(cc(c1N)Cl)C(=O)O TS15526 [0,1,0,0,0,0|2,0,0]=3 795 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)C TS11873 [0,1,0,0,0,0|2,0,0]=3 796 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)O TS03111 [0,1,0,0,0,0|1,0,0]=2 797 B12R1.1005 Cc1cc(cc(c1O)C)[N+](=O)[O-] TS43209 [0,1,0,0,0,0|2,0,1]=4 798 B12R1.1005 c1c(cc(c(c1Br)N)Br)C(=O)O TS02973 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=N)N TS58439 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)O TS35843 [0,1,0,0,0,0|1,0,0]=2 801 B12R1.1005 c1c(cc(c(c1Br)O)Br)[N+](=O)[O-] TS35952 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.1005 c1c(cc(c(c1Cl)F)Cl)C(=O)O TS02354 [0,1,0,0,0,0|2,0,0]=3 803 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)C(=O)O TS65781 [0,1,0,0,0,0|2,0,0]=3 804 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)O TS39118 [0,1,0,0,0,0|1,0,0]=2 805 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)[N+](=O)[O-] TS20475 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.1005 c1c(cc(c(c1F)F)Cl)C(=O)O TS65495 [0,1,0,0,0,0|2,0,0]=3 807 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)Cl TS17957 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)N TS45901 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)O TS93154 [0,1,0,0,0,0|2,0,0]=3 810 B12R1.1005 c1c(cc(c(c1F)O)F)[N+](=O)[O-] TS34646 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.1005 c1c(cc(c(c1I)I)I)C(=O)O TS83220 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.1005 c1c(cc(c(c1I)N)I)C(=O)O TS39466 [0,1,0,0,0,0|2,0,0]=3 813 B12R1.1005 c1c(cc(c(c1I)O)I)C(=O)O TS67494 [0,1,0,0,0,0|1,0,0]=2 814 B12R1.1005 c1c(cc(c(c1I)O)I)[N+](=O)[O-] TS80733 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.1005 c1c(cc(c(c1N)Cl)Cl)C(=O)O TS38923 [0,1,0,0,0,0|2,0,0]=3 816 B12R1.1005 c1c(cc(c(c1N)Cl)N)C(=O)O TS48990 [0,1,0,0,0,0|2,0,0]=3 817 B12R1.1005 c1c(cc(c(c1N)O)Cl)[N+](=O)[O-] TS16074 [0,1,0,0,0,0|2,0,1]=4 818 B12R1.1005 c1c(cc(c(c1O)Br)O)C(=O)N TS53253 [0,1,0,0,0,0|2,0,0]=3 819 B12R1.1005 c1c(cc(c(c1O)Br)O)C(=O)O TS09566 [0,1,0,0,0,0|1,0,0]=2 820 B12R1.1005 c1c(cc(c(c1O)N)O)C(=O)O TS12645 [0,1,0,0,0,0|1,0,0]=2 821 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)N TS12646 [0,1,0,0,0,0|1,0,0]=2 822 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O TS93344 [0,1,0,0,0,0|0,0,0]=1 823 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O TS93935 [0,1,0,0,0,0|0,0,0]=1 824 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)[O-] TS81197 [0,1,0,0,0,0|0,0,1]=2 825 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 TS07171 [0,0,0,1,0,0|2,0,0]=3 826 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,0,0,0,1,0|3,0,0]=4 827 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,0,0,0,1,0|3,0,0]=4 828 B10R1.58 c1c(c(oc1C(=O)O)Br)Br TS73940 [0,0,0,0,1,0|3,0,0]=4 829 B10R1.58 c1c(c(sc1C(=O)O)Br)Br TS54880 [0,0,0,0,1,0|3,0,0]=4 830 B10R1.58 c1c(c(sc1C(=O)O)Br)N TS23388 [0,0,0,0,1,0|3,0,0]=4 831 B10R1.58 c1c(c(sc1C(=O)O)Cl)Cl TS18406 [0,0,0,0,1,0|3,0,0]=4 832 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,0,0,0,1,0|3,0,0]=4 833 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,0,0,0,1,0|3,0,0]=4 834 B10R1.194 c1c(c(c([nH]1)C(=O)O)F)F TS89314 [0,0,0,0,1,0|3,0,0]=4 835 B10R1.194 c1c(c(c(s1)Cl)Cl)C(=O)O TS18405 [0,0,0,0,1,0|3,0,0]=4 836 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl TS19510 [0,0,0,0,0,1|3,0,0]=4 837 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br TS62637 [0,0,0,0,0,1|3,0,0]=4 838 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F TS15871 [0,0,0,0,0,1|3,0,0]=4 839 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O TS15512 [0,0,0,0,0,1|2,0,0]=3 840 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br TS53264 [0,0,0,0,0,1|3,0,0]=4 841 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F TS12965 [0,0,0,0,0,1|3,0,0]=4 842 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl TS48677 [0,0,0,0,0,1|3,0,0]=4 843 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O TS43219 [0,0,0,0,0,1|1,0,0]=2 844 B12R1.19 Cc1cc(ccc1Br)NC(=O)C TS24460 [0,0,0,0,0,1|3,0,0]=4 845 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O TS15519 [0,0,0,0,0,1|3,0,0]=4 846 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [0,0,0,0,0,1|3,0,0]=4 847 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C TS48493 [0,0,0,0,0,1|3,0,0]=4 848 B12R1.19 Cc1ccc(cc1Cl)NC(=O)N TS48676 [0,0,0,0,0,1|3,0,0]=4 849 B12R1.19 Cc1ccc(cc1F)CC(=O)O TS65518 [0,0,0,0,0,1|2,0,0]=3 850 B12R1.19 Cc1ccc(cc1N)NC(=O)C TS42769 [0,0,0,0,0,1|3,0,0]=4 851 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [0,0,0,0,0,1|1,0,0]=2 852 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F TS09449 [0,0,0,0,0,1|2,0,0]=3 853 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O TS09452 [0,0,0,0,0,1|1,0,0]=2 854 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl TS07854 [0,0,0,0,0,1|2,0,0]=3 855 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F TS02687 [0,0,0,0,0,1|2,0,0]=3 856 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O TS15711 [0,0,0,0,0,1|1,0,0]=2 857 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl TS16086 [0,0,0,0,0,1|2,0,0]=3 858 B12R1.19 c1cc(c(cc1CC(=O)O)F)F TS45416 [0,0,0,0,0,1|2,0,0]=3 859 B12R1.19 c1cc(c(cc1CC(=O)O)F)O TS65509 [0,0,0,0,0,1|1,0,0]=2 860 B12R1.19 c1cc(c(cc1CC(=O)O)O)O TS44830 [0,0,0,0,0,1|0,0,0]=1 861 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl TS60194 [0,0,0,0,0,1|3,0,0]=4 862 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS06645 [1,0,1,0,0,0|1,0,0]=3 863 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS94785 [1,0,1,0,0,0|1,0,0]=3 864 B9R1.1 C#Cc1ccc(cc1)O TS71112 [2,0,0,0,0,0|1,0,1]=4 865 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|2,0,0]=4 866 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|2,0,0]=4 867 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|2,0,0]=4 868 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|2,0,0]=4 869 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,0]=3 870 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,1]=4 871 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|2,0,0]=4 872 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|2,0,0]=4 873 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|2,0,0]=4 874 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|2,0,0]=4 875 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|2,0,0]=4 876 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|1,0,0]=3 877 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|1,0,1]=4 878 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|2,0,0]=4 879 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|2,0,0]=4 880 B9R1.1 c1cc(ccc1C#N)O TS03063 [2,0,0,0,0,0|1,0,1]=4 881 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 882 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 883 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 884 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 885 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 886 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 887 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|0,0,0]=2 888 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|0,0,0]=2 889 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,1]=4 890 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,1]=4 891 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,1]=4 892 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|1,0,1]=4 893 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|1,0,1]=4 894 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|1,0,1]=4 895 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|1,0,1]=4 896 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|1,0,1]=4 897 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|0,0,1]=3 898 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|0,1,1]=4 899 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|1,0,0]=3 900 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 901 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 902 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 903 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 904 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 905 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|1,0,0]=3 906 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 907 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 908 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|1,0,0]=3 909 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|1,0,1]=4 910 B9R1.6 B(c1ccccc1)(O)O TS59339 [2,0,0,0,0,0|1,0,1]=4 911 B9R1.6 C=C(c1ccccc1)Br TS48375 [2,0,0,0,0,0|2,0,0]=4 912 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [2,0,0,0,0,0|2,0,0]=4 913 B9R1.6 CC(=C)c1ccccc1 TS32349 [2,0,0,0,0,0|2,0,0]=4 914 B9R1.6 CC(=O)c1ccccc1 TS32455 [2,0,0,0,0,0|1,0,0]=3 915 B9R1.6 CC(=O)c1ccccc1 TS32456 [2,0,0,0,0,0|1,0,0]=3 916 B9R1.6 CC(=O)c1ccccc1 TS38236 [2,0,0,0,0,0|1,0,0]=3 917 B9R1.6 CC(=O)c1ccccc1 TS55713 [2,0,0,0,0,0|1,0,0]=3 918 B9R1.6 CC(=O)c1ccccn1 TS04861 [2,0,0,0,0,0|2,0,0]=4 919 B9R1.6 CC(=O)c1cccnc1 TS65831 [2,0,0,0,0,0|2,0,0]=4 920 B9R1.6 CC(=O)c1ccncc1 TS02952 [2,0,0,0,0,0|2,0,0]=4 921 B9R1.6 CC(c1ccccc1)O TS04908 [2,0,0,0,0,0|1,0,1]=4 922 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [2,0,0,0,0,0|1,0,1]=4 923 B9R1.6 C[C@H](c1ccccc1)O TS04906 [2,0,0,0,0,0|1,0,1]=4 924 B9R1.6 c1c(cncn1)C(=O)O TS11330 [2,0,0,0,0,0|2,0,0]=4 925 B9R1.6 c1c(cncn1)C(=O)O TS88781 [2,0,0,0,0,0|2,0,0]=4 926 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [2,0,0,0,0,0|2,0,0]=4 927 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [2,0,0,0,0,0|2,0,0]=4 928 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [2,0,0,0,0,0|2,0,0]=4 929 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [2,0,0,0,0,0|2,0,0]=4 930 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [2,0,0,0,0,0|2,0,0]=4 931 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [2,0,0,0,0,0|1,0,0]=3 932 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [2,0,0,0,0,0|1,0,1]=4 933 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [2,0,0,0,0,0|1,0,1]=4 934 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [2,0,0,0,0,0|1,0,1]=4 935 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [2,0,0,0,0,0|1,1,0]=4 936 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [2,0,0,0,0,0|2,0,0]=4 937 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [2,0,0,0,0,0|2,0,0]=4 938 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [2,0,0,0,0,0|2,0,0]=4 939 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [2,0,0,0,0,0|2,0,0]=4 940 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [2,0,0,0,0,0|1,0,0]=3 941 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [2,0,0,0,0,0|1,0,0]=3 942 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [2,0,0,0,0,0|1,0,0]=3 943 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [2,0,0,0,0,0|1,0,0]=3 944 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [2,0,0,0,0,0|0,0,0]=2 945 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [2,0,0,0,0,0|0,0,0]=2 946 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [2,0,0,0,0,0|0,0,0]=2 947 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [2,0,0,0,0,0|0,0,0]=2 948 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [2,0,0,0,0,0|0,0,0]=2 949 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [2,0,0,0,0,0|0,0,1]=3 950 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [2,0,0,0,0,0|0,0,1]=3 951 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [2,0,0,0,0,0|0,0,1]=3 952 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [2,0,0,0,0,0|0,0,1]=3 953 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [2,0,0,0,0,0|0,0,1]=3 954 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [2,0,0,0,0,0|1,1,0]=4 955 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [2,0,0,0,0,0|0,1,0]=3 956 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [2,0,0,0,0,0|1,0,1]=4 957 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [2,0,0,0,0,0|1,0,0]=3 958 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [2,0,0,0,0,0|1,0,1]=4 959 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [2,0,0,0,0,0|1,0,1]=4 960 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [2,0,0,0,0,0|1,0,1]=4 961 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [2,0,0,0,0,0|1,0,1]=4 962 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [2,0,0,0,0,0|1,0,1]=4 963 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [2,0,0,0,0,0|2,0,0]=4 964 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [2,0,0,0,0,0|2,0,0]=4 965 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [2,0,0,0,0,0|1,0,0]=3 966 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [2,0,0,0,0,0|1,0,1]=4 967 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [2,0,0,0,0,0|1,0,1]=4 968 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [2,0,0,0,0,0|1,0,1]=4 969 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [2,0,0,0,0,0|1,0,1]=4 970 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [2,0,0,0,0,0|1,0,1]=4 971 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [2,0,0,0,0,0|2,0,0]=4 972 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [2,0,0,0,0,0|2,0,0]=4 973 B9R1.6 c1cnccc1C(=O)Cl TS46358 [2,0,0,0,0,0|2,0,0]=4 974 B9R1.6 c1cnccc1C(=O)N TS74511 [2,0,0,0,0,0|2,0,0]=4 975 B9R1.6 c1cnccc1C(=O)O TS01508 [2,0,0,0,0,0|1,0,0]=3 976 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [2,0,0,0,0,0|1,0,1]=4 977 B9R1.6 c1cncnc1C(=O)O TS90236 [2,0,0,0,0,0|2,0,0]=4 978 B9R1.6 c1cnncc1C(=O)O TS59368 [2,0,0,0,0,0|2,0,0]=4 979 B9R1.2 C#Cc1cccc(c1)O TS32329 [2,0,0,0,0,0|1,0,1]=4 980 B9R1.2 C=Cc1cccc(c1)Br TS48377 [2,0,0,0,0,0|2,0,0]=4 981 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [2,0,0,0,0,0|2,0,0]=4 982 B9R1.2 C=Cc1cccc(c1)F TS32503 [2,0,0,0,0,0|2,0,0]=4 983 B9R1.2 C=Cc1cccc(c1)N TS04792 [2,0,0,0,0,0|2,0,0]=4 984 B9R1.2 CCc1cccc(c1)O TS04895 [2,0,0,0,0,0|1,0,1]=4 985 B9R1.2 COc1cccc(c1)O TS39714 [2,0,0,0,0,0|2,0,0]=4 986 B9R1.2 Cc1cc(ccn1)C=O TS02448 [2,0,0,0,0,0|2,0,0]=4 987 B9R1.2 Cc1cc(cnc1)C=O TS01158 [2,0,0,0,0,0|2,0,0]=4 988 B9R1.2 Cc1cccc(c1)C=C TS70680 [2,0,0,0,0,0|2,0,0]=4 989 B9R1.2 Cc1cccc(c1)CO TS04903 [2,0,0,0,0,0|1,0,1]=4 990 B9R1.2 Cc1cccc(n1)C=O TS85261 [2,0,0,0,0,0|2,0,0]=4 991 B9R1.2 Cc1ccnc(c1)C=O TS03178 [2,0,0,0,0,0|2,0,0]=4 992 B9R1.2 c1c(cncc1Br)C=O TS16988 [2,0,0,0,0,0|2,0,0]=4 993 B9R1.2 c1c(cncc1Cl)C=O TS37528 [2,0,0,0,0,0|2,0,0]=4 994 B9R1.2 c1c(cncc1F)C=O TS03322 [2,0,0,0,0,0|2,0,0]=4 995 B9R1.2 c1c(cncc1I)C=O TS25323 [2,0,0,0,0,0|2,0,0]=4 996 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [2,0,0,0,0,0|1,0,0]=3 997 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [2,0,0,0,0,0|1,0,1]=4 998 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [2,0,0,0,0,0|1,0,0]=3 999 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [2,0,0,0,0,0|1,0,1]=4 1000 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [2,0,0,0,0,0|1,0,0]=3 1001 B9R1.2 c1cc(cc(c1)F)CO TS39434 [2,0,0,0,0,0|1,0,1]=4 1002 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [2,0,0,0,0,0|1,0,0]=3 1003 B9R1.2 c1cc(cc(c1)I)CO TS53549 [2,0,0,0,0,0|1,0,1]=4 1004 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [2,0,0,0,0,0|1,0,0]=3 1005 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [2,0,0,0,0,0|1,0,0]=3 1006 B9R1.2 c1cc(cc(c1)N)CO TS59603 [2,0,0,0,0,0|1,0,1]=4 1007 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [2,0,0,0,0,0|1,0,1]=4 1008 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [2,0,0,0,0,0|0,0,0]=2 1009 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [2,0,0,0,0,0|1,0,1]=4 1010 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [2,0,0,0,0,0|1,0,1]=4 1011 B9R1.2 c1cc(cc(c1)O)CO TS32602 [2,0,0,0,0,0|0,0,1]=3 1012 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [2,0,0,0,0,0|2,0,0]=4 1013 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [2,0,0,0,0,0|2,0,0]=4 1014 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [2,0,0,0,0,0|2,0,0]=4 1015 B9R1.2 c1cnc(cc1Br)C=O TS71011 [2,0,0,0,0,0|2,0,0]=4 1016 B9R1.2 c1cnc(cc1C=O)Br TS00862 [2,0,0,0,0,0|2,0,0]=4 1017 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [2,0,0,0,0,0|2,0,0]=4 1018 B9R1.2 c1cnc(cc1C=O)F TS01027 [2,0,0,0,0,0|2,0,0]=4 1019 B9R1.2 c1cnc(cc1C=O)N TS32497 [2,0,0,0,0,0|2,0,0]=4 1020 B9R1.2 c1cnc(cc1C=O)O TS55404 [2,0,0,0,0,0|1,0,0]=3 1021 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [2,0,0,0,0,0|2,0,0]=4 1022 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [2,0,0,0,0,0|1,0,1]=4 1023 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [2,0,0,0,0,0|1,0,1]=4 1024 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [2,0,0,0,0,0|1,0,1]=4 1025 B9R1.69 Cc1cc(ccc1Br)O TS09587 [2,0,0,0,0,0|2,0,0]=4 1026 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [2,0,0,0,0,0|2,0,0]=4 1027 B9R1.69 Cc1cc(ccc1F)O TS71121 [2,0,0,0,0,0|2,0,0]=4 1028 B9R1.69 Cc1cc(ccc1N)O TS02998 [2,0,0,0,0,0|2,0,0]=4 1029 B9R1.69 Cc1cc(ccc1O)Br TS01121 [2,0,0,0,0,0|2,0,0]=4 1030 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [2,0,0,0,0,0|2,0,0]=4 1031 B9R1.69 Cc1cc(ccc1O)F TS09704 [2,0,0,0,0,0|2,0,0]=4 1032 B9R1.69 Cc1cc(ccc1O)I TS53550 [2,0,0,0,0,0|2,0,0]=4 1033 B9R1.69 Cc1cc(ccc1O)N TS08867 [2,0,0,0,0,0|2,0,0]=4 1034 B9R1.69 Cc1cc(ccc1O)O TS32600 [2,0,0,0,0,0|1,0,0]=3 1035 B9R1.69 Cc1cc(ccc1O)S TS70667 [2,0,0,0,0,0|1,1,0]=4 1036 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [2,0,0,0,0,0|1,0,1]=4 1037 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [2,0,0,0,0,0|1,0,1]=4 1038 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [2,0,0,0,0,0|1,0,1]=4 1039 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [2,0,0,0,0,0|1,0,1]=4 1040 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [2,0,0,0,0,0|1,0,1]=4 1041 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [2,0,0,0,0,0|1,0,1]=4 1042 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [2,0,0,0,0,0|1,0,1]=4 1043 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [2,0,0,0,0,0|1,0,1]=4 1044 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [2,0,0,0,0,0|1,0,1]=4 1045 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [2,0,0,0,0,0|0,0,1]=3 1046 B9R1.69 Cc1ccc(cc1C)O TS00123 [2,0,0,0,0,0|2,0,0]=4 1047 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [2,0,0,0,0,0|2,0,0]=4 1048 B9R1.69 Cc1ccc(cc1F)O TS02758 [2,0,0,0,0,0|2,0,0]=4 1049 B9R1.69 Cc1ccc(cc1N)O TS65470 [2,0,0,0,0,0|2,0,0]=4 1050 B9R1.69 Cc1ccc(cc1O)Br TS09797 [2,0,0,0,0,0|2,0,0]=4 1051 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [2,0,0,0,0,0|2,0,0]=4 1052 B9R1.69 Cc1ccc(cc1O)F TS65133 [2,0,0,0,0,0|2,0,0]=4 1053 B9R1.69 Cc1ccc(cc1O)O TS65139 [2,0,0,0,0,0|1,0,0]=3 1054 B9R1.69 c1c(c(c[nH]c1=O)Cl)O TS07137 [2,0,0,0,0,0|2,0,0]=4 1055 B9R1.69 c1c(c(nc(n1)O)O)O TS05308 [2,0,0,0,0,0|2,0,0]=4 1056 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [2,0,0,0,0,0|2,0,0]=4 1057 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [2,0,0,0,0,0|2,0,0]=4 1058 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [2,0,0,0,0,0|2,0,0]=4 1059 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [2,0,0,0,0,0|2,0,0]=4 1060 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [2,0,0,0,0,0|2,0,0]=4 1061 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [2,0,0,0,0,0|2,0,0]=4 1062 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [2,0,0,0,0,0|2,0,0]=4 1063 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [2,0,0,0,0,0|2,0,0]=4 1064 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [2,0,0,0,0,0|2,0,0]=4 1065 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [2,0,0,0,0,0|1,0,0]=3 1066 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [2,0,0,0,0,0|2,0,0]=4 1067 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [2,0,0,0,0,0|2,0,0]=4 1068 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [2,0,0,0,0,0|2,0,0]=4 1069 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [2,0,0,0,0,0|2,0,0]=4 1070 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [2,0,0,0,0,0|2,0,0]=4 1071 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [2,0,0,0,0,0|2,0,0]=4 1072 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [2,0,0,0,0,0|2,0,0]=4 1073 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [2,0,0,0,0,0|2,0,0]=4 1074 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [2,0,0,0,0,0|2,0,0]=4 1075 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [2,0,0,0,0,0|1,0,0]=3 1076 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [2,0,0,0,0,0|2,0,0]=4 1077 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [2,0,0,0,0,0|2,0,0]=4 1078 B9R1.69 c1cc(c(cc1F)F)O TS00636 [2,0,0,0,0,0|2,0,0]=4 1079 B9R1.69 c1cc(c(cc1F)N)O TS00753 [2,0,0,0,0,0|2,0,0]=4 1080 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [2,0,0,0,0,0|2,0,0]=4 1081 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [2,0,0,0,0,0|2,0,0]=4 1082 B9R1.69 c1cc(c(cc1F)O)F TS36449 [2,0,0,0,0,0|2,0,0]=4 1083 B9R1.69 c1cc(c(cc1F)O)N TS36211 [2,0,0,0,0,0|2,0,0]=4 1084 B9R1.69 c1cc(c(cc1F)O)O TS39506 [2,0,0,0,0,0|1,0,0]=3 1085 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [2,0,0,0,0,0|2,0,0]=4 1086 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [2,0,0,0,0,0|2,0,0]=4 1087 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [2,0,0,0,0,0|2,0,0]=4 1088 B9R1.69 c1cc(c(cc1N)F)O TS02963 [2,0,0,0,0,0|2,0,0]=4 1089 B9R1.69 c1cc(c(cc1N)I)O TS25670 [2,0,0,0,0,0|2,0,0]=4 1090 B9R1.69 c1cc(c(cc1N)N)O TS53804 [2,0,0,0,0,0|2,0,0]=4 1091 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [2,0,0,0,0,0|2,0,0]=4 1092 B9R1.69 c1cc(c(cc1N)O)O TS20087 [2,0,0,0,0,0|1,0,0]=3 1093 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [2,0,0,0,0,0|2,0,0]=4 1094 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [2,0,0,0,0,0|2,0,0]=4 1095 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [2,0,0,0,0,0|1,0,0]=3 1096 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [2,0,0,0,0,0|2,0,0]=4 1097 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [2,0,0,0,0,0|2,0,0]=4 1098 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [2,0,0,0,0,0|2,0,0]=4 1099 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [2,0,0,0,0,0|1,0,0]=3 1100 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [2,0,0,0,0,0|2,0,0]=4 1101 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [2,0,0,0,0,0|2,0,0]=4 1102 B9R1.69 c1cc(c(cc1O)F)F TS60320 [2,0,0,0,0,0|2,0,0]=4 1103 B9R1.69 c1cc(c(cc1O)F)N TS42650 [2,0,0,0,0,0|2,0,0]=4 1104 B9R1.69 c1cc(c(cc1O)F)N TS70881 [2,0,0,0,0,0|2,0,0]=4 1105 B9R1.69 c1cc(c(cc1O)F)O TS85396 [2,0,0,0,0,0|1,0,0]=3 1106 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [2,0,0,0,0,0|2,0,0]=4 1107 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [2,0,0,0,0,0|2,0,0]=4 1108 B9R1.69 c1cc(c(cc1O)N)F TS65858 [2,0,0,0,0,0|2,0,0]=4 1109 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [2,0,0,0,0,0|1,0,0]=3 1110 B9R1.69 c1cc(c(cc1O)O)F TS71140 [2,0,0,0,0,0|1,0,0]=3 1111 B9R1.69 c1cc(c(cc1O)O)N TS42356 [2,0,0,0,0,0|1,0,0]=3 1112 B9R1.69 c1cc(c(cc1O)O)O TS05134 [2,0,0,0,0,0|0,0,0]=2 1113 B11R0.150 CC(=CC=C(C)C(=O)O)C(=O)O TS12778 [0,1,1,0,0,0|1,0,1]=4 1114 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [1,1,0,0,0,0|1,0,1]=4 1115 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [1,1,0,0,0,0|1,0,1]=4 1116 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [1,1,0,0,0,0|1,0,0]=3 1117 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [1,1,0,0,0,0|1,0,0]=3 1118 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [1,1,0,0,0,0|1,0,1]=4 1122 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [1,1,0,0,0,0|1,0,0]=3 1123 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [1,1,0,0,0,0|1,1,0]=4 1124 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [1,1,0,0,0,0|1,0,1]=4 1127 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [1,1,0,0,0,0|1,0,0]=3 1131 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [1,1,0,0,0,0|1,0,0]=3 1133 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [1,1,0,0,0,0|1,0,0]=3 1136 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [1,1,0,0,0,0|0,0,0]=2 1137 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [1,1,0,0,0,0|0,0,1]=3 1138 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [1,1,0,0,0,0|1,1,0]=4 1139 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [1,1,0,0,0,0|1,0,1]=4 1140 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [1,1,0,0,0,0|1,0,0]=3 1141 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [1,1,0,0,0,0|1,0,0]=3 1142 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [1,1,0,0,0,0|0,1,0]=3 1144 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [1,1,0,0,0,0|1,0,0]=3 1147 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [1,1,0,0,0,0|1,0,0]=3 1148 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [1,1,0,0,0,0|1,0,0]=3 1149 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [1,1,0,0,0,0|1,0,0]=3 1150 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [1,1,0,0,0,0|0,0,1]=3 1151 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [1,1,0,0,0,0|0,0,1]=3 1152 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [1,1,0,0,0,0|1,0,0]=3 1153 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [1,1,0,0,0,0|1,0,0]=3 1155 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [1,1,0,0,0,0|1,0,0]=3 1157 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [1,1,0,0,0,0|0,0,0]=2 1158 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [1,1,0,0,0,0|1,0,1]=4 1159 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [1,1,0,0,0,0|1,0,1]=4 1160 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [1,1,0,0,0,0|1,0,1]=4 1163 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.19 c1cc(ccc1Cl)[As](=O)(O)O TS25959 [1,1,0,0,0,0|2,0,0]=4 1177 B11R1.19 c1cc(ccc1F)S(=O)(=O)O TS46045 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.19 c1cc(ccc1N)S(=O)(=O)O TS02088 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.19 c1cc(ccc1N)[As](=O)(O)O TS22172 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.19 c1cc(ccc1O)S(=O)(=O)N TS45617 [1,1,0,0,0,0|1,0,1]=4 1181 B11R1.19 c1cc(ccc1O)S(=O)(=O)O TS13461 [1,1,0,0,0,0|1,0,0]=3 1182 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS18192 [1,1,0,0,0,0|1,0,1]=4 1183 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS67381 [1,1,0,0,0,0|1,0,1]=4 1184 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS72457 [1,1,0,0,0,0|1,0,1]=4 1185 B11R1.19 c1cc(ccc1O)[As](=O)(O)O TS49348 [1,1,0,0,0,0|1,0,0]=3 1186 B11R1.19 c1cc(ccc1S(=O)(=O)O)Br TS56897 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl TS71061 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.19 c1cc(ncc1O)S(=O)(=O)O TS13638 [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.19 c1cc(ncc1S(=O)(=O)O)O TS13639 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [1,1,0,0,0,0|1,0,0]=3 1198 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [1,1,0,0,0,0|1,0,0]=3 1200 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [1,1,0,0,0,0|1,0,1]=4 1201 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [1,1,0,0,0,0|1,0,0]=3 1202 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [1,1,0,0,0,0|1,0,0]=3 1203 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [1,1,0,0,0,0|1,0,0]=3 1204 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [1,1,0,0,0,0|1,0,0]=3 1205 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [1,1,0,0,0,0|1,0,0]=3 1206 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [1,1,0,0,0,0|1,0,0]=3 1207 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [1,1,0,0,0,0|0,0,0]=2 1208 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [1,1,0,0,0,0|0,0,0]=2 1209 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [1,1,0,0,0,0|0,0,0]=2 1210 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [1,1,0,0,0,0|1,0,0]=3 1214 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [1,1,0,0,0,0|1,0,0]=3 1219 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [1,1,0,0,0,0|1,0,1]=4 1221 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [1,1,0,0,0,0|1,0,1]=4 1226 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [1,1,0,0,0,0|1,0,0]=3 1231 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [1,1,0,0,0,0|1,0,0]=3 1234 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [1,1,0,0,0,0|1,0,0]=3 1235 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [1,1,0,0,0,0|2,0,0]=4 1236 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [1,1,0,0,0,0|2,0,0]=4 1237 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [1,1,0,0,0,0|2,0,0]=4 1238 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [1,1,0,0,0,0|2,0,0]=4 1239 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [1,1,0,0,0,0|2,0,0]=4 1240 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [1,1,0,0,0,0|2,0,0]=4 1241 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [1,1,0,0,0,0|2,0,0]=4 1242 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [1,1,0,0,0,0|1,0,0]=3 1243 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [1,1,0,0,0,0|2,0,0]=4 1244 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [1,1,0,0,0,0|2,0,0]=4 1245 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [1,1,0,0,0,0|2,0,0]=4 1246 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [1,1,0,0,0,0|1,0,1]=4 1247 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [1,1,0,0,0,0|1,0,1]=4 1248 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [1,1,0,0,0,0|1,0,1]=4 1249 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [1,1,0,0,0,0|1,0,1]=4 1250 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [1,1,0,0,0,0|0,0,1]=3 1251 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [1,1,0,0,0,0|2,0,0]=4 1252 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [1,1,0,0,0,0|2,0,0]=4 1254 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [1,1,0,0,0,0|2,0,0]=4 1255 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [1,1,0,0,0,0|2,0,0]=4 1257 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [1,1,0,0,0,0|1,0,0]=3 1259 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [1,1,0,0,0,0|2,0,0]=4 1260 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [1,1,0,0,0,0|2,0,0]=4 1261 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [1,1,0,0,0,0|1,0,0]=3 1263 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [1,1,0,0,0,0|1,0,0]=3 1264 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [1,1,0,0,0,0|1,0,0]=3 1265 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [1,1,0,0,0,0|1,0,0]=3 1266 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [1,1,0,0,0,0|2,0,0]=4 1269 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [1,1,0,0,0,0|1,0,0]=3 1271 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [1,1,0,0,0,0|0,0,0]=2 1272 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [1,1,0,0,0,0|1,0,1]=4 1273 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [1,1,0,0,0,0|1,0,1]=4 1274 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [1,1,0,0,0,0|1,0,1]=4 1275 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [1,1,0,0,0,0|2,0,0]=4 1276 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [1,1,0,0,0,0|2,0,0]=4 1277 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [1,1,0,0,0,0|2,0,0]=4 1278 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [1,1,0,0,0,0|2,0,0]=4 1279 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [1,1,0,0,0,0|1,0,0]=3 1280 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [1,1,0,0,0,0|2,0,0]=4 1282 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [1,1,0,0,0,0|2,0,0]=4 1283 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [1,1,0,0,0,0|2,0,0]=4 1284 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [1,1,0,0,0,0|1,0,0]=3 1285 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [1,1,0,0,0,0|1,0,0]=3 1286 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [1,1,0,0,0,0|2,0,0]=4 1287 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [1,1,0,0,0,0|2,0,0]=4 1288 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [1,1,0,0,0,0|2,0,0]=4 1289 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [1,1,0,0,0,0|1,0,0]=3 1290 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [1,1,0,0,0,0|2,0,0]=4 1291 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [1,1,0,0,0,0|2,0,0]=4 1292 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [1,1,0,0,0,0|2,0,0]=4 1293 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [1,1,0,0,0,0|2,0,0]=4 1294 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [1,1,0,0,0,0|2,0,0]=4 1295 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [1,1,0,0,0,0|2,0,0]=4 1296 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [1,1,0,0,0,0|2,0,0]=4 1297 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [1,1,0,0,0,0|1,0,0]=3 1298 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [1,1,0,0,0,0|2,0,0]=4 1299 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [1,1,0,0,0,0|1,0,0]=3 1300 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [1,1,0,0,0,0|1,0,0]=3 1301 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [1,1,0,0,0,0|1,0,0]=3 1302 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [1,1,0,0,0,0|1,0,0]=3 1303 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [1,1,0,0,0,0|0,0,0]=2 1304 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [1,1,0,0,0,0|1,0,1]=4 1305 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [1,1,0,0,0,0|2,0,0]=4 1306 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [1,1,0,0,0,0|2,0,0]=4 1307 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [1,1,0,0,0,0|2,0,0]=4 1308 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [1,1,0,0,0,0|2,0,0]=4 1309 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [1,1,0,0,0,0|1,0,0]=3 1310 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [1,1,0,0,0,0|2,0,0]=4 1312 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [1,1,0,0,0,0|1,0,0]=3 1313 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [1,1,0,0,0,0|1,0,0]=3 1314 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [1,1,0,0,0,0|1,0,0]=3 1315 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [1,1,0,0,0,0|2,0,0]=4 1316 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [1,1,0,0,0,0|1,0,0]=3 1317 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [1,1,0,0,0,0|2,0,0]=4 1318 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [1,1,0,0,0,0|2,0,0]=4 1319 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [1,1,0,0,0,0|1,0,0]=3 1320 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [1,1,0,0,0,0|2,0,0]=4 1321 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [1,1,0,0,0,0|2,0,0]=4 1322 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [1,1,0,0,0,0|2,0,0]=4 1323 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [1,1,0,0,0,0|2,0,0]=4 1324 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [1,1,0,0,0,0|2,0,0]=4 1325 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [1,1,0,0,0,0|2,0,0]=4 1326 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [1,1,0,0,0,0|2,0,0]=4 1327 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [1,1,0,0,0,0|1,0,0]=3 1329 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [1,1,0,0,0,0|1,0,0]=3 1330 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [1,1,0,0,0,0|2,0,0]=4 1331 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [1,1,0,0,0,0|2,0,0]=4 1332 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [1,1,0,0,0,0|2,0,0]=4 1333 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [1,1,0,0,0,0|2,0,0]=4 1334 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [1,1,0,0,0,0|2,0,0]=4 1335 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [1,1,0,0,0,0|2,0,0]=4 1336 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [1,1,0,0,0,0|1,0,0]=3 1338 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [1,1,0,0,0,0|1,0,0]=3 1339 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [1,1,0,0,0,0|2,0,0]=4 1340 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [1,1,0,0,0,0|1,0,0]=3 1341 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [1,1,0,0,0,0|1,0,0]=3 1342 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [1,1,0,0,0,0|1,0,0]=3 1343 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [1,1,0,0,0,0|1,0,0]=3 1344 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [1,1,0,0,0,0|1,0,0]=3 1345 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [1,1,0,0,0,0|1,0,0]=3 1346 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [1,1,0,0,0,0|2,0,0]=4 1347 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [1,1,0,0,0,0|2,0,0]=4 1348 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [1,1,0,0,0,0|1,0,0]=3 1349 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [1,1,0,0,0,0|2,0,0]=4 1350 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [1,1,0,0,0,0|1,0,0]=3 1351 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [1,1,0,0,0,0|1,0,0]=3 1352 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [1,1,0,0,0,0|1,0,0]=3 1353 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [1,1,0,0,0,0|1,0,0]=3 1354 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [1,1,0,0,0,0|2,0,0]=4 1355 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [1,1,0,0,0,0|1,0,0]=3 1356 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [1,1,0,0,0,0|2,0,0]=4 1358 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [1,1,0,0,0,0|1,0,0]=3 1359 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [1,1,0,0,0,0|2,0,0]=4 1360 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [1,1,0,0,0,0|2,0,0]=4 1361 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [1,1,0,0,0,0|1,0,0]=3 1362 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [1,1,0,0,0,0|1,0,1]=4 1363 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [1,1,0,0,0,0|1,0,0]=3 1364 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [1,1,0,0,0,0|1,0,0]=3 1365 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [1,1,0,0,0,0|1,0,0]=3 1366 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [1,1,0,0,0,0|1,0,0]=3 1367 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [1,1,0,0,0,0|1,0,0]=3 1368 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [1,1,0,0,0,0|1,0,0]=3 1369 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [1,1,0,0,0,0|1,0,0]=3 1370 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [1,1,0,0,0,0|1,0,0]=3 1371 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [1,1,0,0,0,0|1,0,0]=3 1372 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [1,1,0,0,0,0|1,0,0]=3 1373 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [1,1,0,0,0,0|1,0,0]=3 1374 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [1,1,0,0,0,0|1,0,0]=3 1375 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [1,1,0,0,0,0|1,0,1]=4 1376 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [1,1,0,0,0,0|1,0,1]=4 1377 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [1,1,0,0,0,0|1,0,1]=4 1378 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [1,1,0,0,0,0|0,0,0]=2 1379 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [1,1,0,0,0,0|1,0,1]=4 1380 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [1,1,0,0,0,0|1,0,0]=3 1381 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [1,1,0,0,0,0|0,0,0]=2 1382 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [1,1,0,0,0,0|2,0,0]=4 1383 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [1,1,0,0,0,0|2,0,0]=4 1384 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [1,1,0,0,0,0|1,0,0]=3 1385 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [1,1,0,0,0,0|2,0,0]=4 1386 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [1,1,0,0,0,0|2,0,0]=4 1387 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [1,1,0,0,0,0|1,0,0]=3 1388 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [1,1,0,0,0,0|2,0,0]=4 1389 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [1,1,0,0,0,0|2,0,0]=4 1390 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [1,1,0,0,0,0|2,0,0]=4 1391 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [1,1,0,0,0,0|2,0,0]=4 1392 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [1,1,0,0,0,0|1,0,0]=3 1393 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [1,1,0,0,0,0|2,0,0]=4 1394 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [1,1,0,0,0,0|2,0,0]=4 1395 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [1,1,0,0,0,0|2,0,0]=4 1396 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [1,1,0,0,0,0|2,0,0]=4 1397 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [1,1,0,0,0,0|2,0,0]=4 1398 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [1,1,0,0,0,0|2,0,0]=4 1400 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [1,1,0,0,0,0|2,0,0]=4 1401 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [1,1,0,0,0,0|2,0,0]=4 1402 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [1,1,0,0,0,0|2,0,0]=4 1403 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [1,1,0,0,0,0|1,0,0]=3 1404 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [1,1,0,0,0,0|1,0,1]=4 1405 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [1,1,0,0,0,0|1,0,0]=3 1406 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [1,1,0,0,0,0|1,0,0]=3 1407 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [1,1,0,0,0,0|1,0,0]=3 1408 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [1,1,0,0,0,0|1,0,0]=3 1409 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [1,1,0,0,0,0|1,0,0]=3 1410 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [1,1,0,0,0,0|0,0,0]=2 1411 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [1,1,0,0,0,0|2,0,0]=4 1412 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [1,1,0,0,0,0|2,0,0]=4 1413 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [1,1,0,0,0,0|2,0,0]=4 1414 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [1,1,0,0,0,0|2,0,0]=4 1415 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [1,1,0,0,0,0|2,0,0]=4 1416 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [1,1,0,0,0,0|2,0,0]=4 1417 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [1,1,0,0,0,0|2,0,0]=4 1418 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [1,1,0,0,0,0|2,0,0]=4 1420 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [1,1,0,0,0,0|2,0,0]=4 1422 B11R1.23 Cc1cccc(c1)C(=NO)N TS09900 [1,1,0,0,0,0|2,0,0]=4 1423 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [1,1,0,0,0,0|2,0,0]=4 1424 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [1,1,0,0,0,0|2,0,0]=4 1425 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [1,1,0,0,0,0|1,0,0]=3 1426 B11R1.23 c1cc(cc(c1)Br)C(=O)C#N TS43720 [1,1,0,0,0,0|2,0,0]=4 1427 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [1,1,0,0,0,0|2,0,0]=4 1428 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [1,1,0,0,0,0|2,0,0]=4 1429 B11R1.23 c1cc(cc(c1)Cl)C(=N)NO TS45236 [1,1,0,0,0,0|2,0,0]=4 1430 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N TS42965 [1,1,0,0,0,0|2,0,0]=4 1431 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [1,1,0,0,0,0|2,0,0]=4 1432 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [1,1,0,0,0,0|2,0,0]=4 1433 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [1,1,0,0,0,0|2,0,0]=4 1434 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [1,1,0,0,0,0|2,0,0]=4 1435 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [1,1,0,0,0,0|1,0,0]=3 1436 B11R1.23 c1cc(cc(c1)F)C(=O)C#N TS40712 [1,1,0,0,0,0|2,0,0]=4 1437 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [1,1,0,0,0,0|2,0,0]=4 1438 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [1,1,0,0,0,0|2,0,0]=4 1442 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [1,1,0,0,0,0|1,0,0]=3 1443 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [1,1,0,0,0,0|1,0,0]=3 1444 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [1,1,0,0,0,0|1,0,1]=4 1445 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [1,1,0,0,0,0|1,0,1]=4 1446 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br TS02193 [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [1,1,0,0,0,0|2,0,0]=4 1448 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [1,1,0,0,0,0|2,0,0]=4 1449 B11R1.74 CC(=O)c1cc(cc(c1)F)F TS08667 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [1,1,0,0,0,0|1,0,0]=3 1451 B11R1.74 Cc1cc(cc(c1)C(=O)C)C TS65809 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C TS65812 [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [1,1,0,0,0,0|1,0,0]=3 1454 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [1,1,0,0,0,0|1,0,0]=3 1455 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [1,1,0,0,0,0|1,0,0]=3 1456 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [1,1,0,0,0,0|2,0,0]=4 1460 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.74 c1c(cc(cc1Br)Br)C(=O)N TS54196 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O TS02575 [1,1,0,0,0,0|1,0,0]=3 1464 B11R1.74 c1c(cc(cc1Br)I)C(=O)O TS09339 [1,1,0,0,0,0|1,0,0]=3 1465 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O TS32930 [1,1,0,0,0,0|1,0,0]=3 1466 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl TS20795 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N TS16277 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O TS00127 [1,1,0,0,0,0|1,0,0]=3 1469 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O TS09359 [1,1,0,0,0,0|1,0,0]=3 1470 B11R1.74 c1c(cc(cc1F)Br)C(=O)Cl TS26100 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.74 c1c(cc(cc1F)Br)C(=O)O TS65928 [1,1,0,0,0,0|1,0,0]=3 1472 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O TS09353 [1,1,0,0,0,0|1,0,0]=3 1473 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl TS13936 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.74 c1c(cc(cc1F)F)C(=O)N TS41743 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.74 c1c(cc(cc1F)F)C(=O)O TS65800 [1,1,0,0,0,0|1,0,0]=3 1476 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] TS14507 [1,1,0,0,0,0|1,0,1]=4 1477 B11R1.74 c1c(cc(cc1F)I)C(=O)O TS07838 [1,1,0,0,0,0|1,0,0]=3 1478 B11R1.74 c1c(cc(cc1I)I)C(=O)O TS02365 [1,1,0,0,0,0|1,0,0]=3 1479 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O TS22769 [1,1,0,0,0,0|1,0,0]=3 1480 B11R1.74 c1c(cc(cc1N)F)C(=O)N TS02210 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS00125 [1,1,0,0,0,0|1,0,0]=3 1482 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS23945 [1,1,0,0,0,0|1,0,0]=3 1483 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O TS13254 [1,1,0,0,0,0|0,0,0]=2 1484 B11R1.74 c1c(cc(cc1O)O)C(=O)N TS10292 [1,1,0,0,0,0|1,0,0]=3 1485 B11R1.74 c1c(cc(cc1O)O)C(=O)O TS16724 [1,1,0,0,0,0|0,0,0]=2 1486 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O TS00696 [1,1,0,0,0,0|2,0,0]=4 1487 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O TS47303 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.74 c1c(cc(nc1F)F)C(=O)O TS11096 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.74 c1c(cc(nc1O)Cl)C(=O)N TS13262 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.74 c1c(cc(nc1O)O)C(=O)O TS10558 [1,1,0,0,0,0|1,0,0]=3 1491 B11R1.155 c1cc(cc(c1)Cl)P(=O)(O)O TS17569 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.155 c1cc(cc(c1)P(=O)(O)O)O TS13425 [1,1,0,0,0,0|1,0,0]=3 1493 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)N TS45608 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [1,1,0,0,0,0|1,0,0]=3 1498 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [1,1,0,0,0,0|1,0,0]=3 1502 B11R1.159 Cc1c(cccc1Br)C(=O)O TS65906 [1,1,0,0,0,0|1,0,0]=3 1503 B11R1.159 Cc1c(cccc1Cl)C(=O)O TS12927 [1,1,0,0,0,0|1,0,0]=3 1504 B11R1.159 Cc1c(cccc1F)C(=O)O TS70571 [1,1,0,0,0,0|1,0,0]=3 1505 B11R1.159 Cc1c(cccc1I)C(=O)O TS29741 [1,1,0,0,0,0|1,0,0]=3 1506 B11R1.159 Cc1c(cccc1N)C(=O)O TS22768 [1,1,0,0,0,0|1,0,0]=3 1507 B11R1.159 Cc1c(cccc1O)C(=O)O TS02787 [1,1,0,0,0,0|0,0,0]=2 1508 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] TS01061 [1,1,0,0,0,0|1,0,1]=4 1509 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [1,1,0,0,0,0|1,0,0]=3 1510 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [1,1,0,0,0,0|2,0,0]=4 1511 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [1,1,0,0,0,0|2,0,0]=4 1512 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [1,1,0,0,0,0|1,0,0]=3 1514 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [1,1,0,0,0,0|1,0,0]=3 1515 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [1,1,0,0,0,0|2,0,0]=4 1516 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [1,1,0,0,0,0|1,0,0]=3 1517 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [1,1,0,0,0,0|1,0,0]=3 1518 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [1,1,0,0,0,0|1,0,0]=3 1519 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [1,1,0,0,0,0|1,0,0]=3 1520 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [1,1,0,0,0,0|1,0,1]=4 1521 B11R1.159 Cn1cccc(c1=O)C(=O)O TS86053 [1,1,0,0,0,0|2,0,0]=4 1522 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O TS22160 [1,1,0,0,0,0|2,0,0]=4 1523 B11R1.159 c1c(c(c(cn1)Cl)Cl)C(=O)O TS51385 [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O TS13257 [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O TS25786 [1,1,0,0,0,0|1,0,0]=3 1526 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O TS16864 [1,1,0,0,0,0|1,0,0]=3 1527 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O TS08283 [1,1,0,0,0,0|1,0,0]=3 1528 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [1,1,0,0,0,0|1,0,0]=3 1529 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl TS07690 [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N TS16281 [1,1,0,0,0,0|2,0,0]=4 1531 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O TS17215 [1,1,0,0,0,0|1,0,0]=3 1532 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl TS17599 [1,1,0,0,0,0|2,0,0]=4 1533 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)F TS13935 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N TS13405 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O TS55323 [1,1,0,0,0,0|1,0,0]=3 1536 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O TS02713 [1,1,0,0,0,0|1,0,0]=3 1537 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [1,1,0,0,0,0|1,0,0]=3 1538 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O TS08298 [1,1,0,0,0,0|1,0,0]=3 1539 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O TS08825 [1,1,0,0,0,0|1,0,0]=3 1540 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl TS13934 [1,1,0,0,0,0|2,0,0]=4 1541 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N TS41747 [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O TS41848 [1,1,0,0,0,0|1,0,0]=3 1543 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O TS70565 [1,1,0,0,0,0|1,0,0]=3 1544 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O TS47360 [1,1,0,0,0,0|1,0,0]=3 1545 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [1,1,0,0,0,0|1,0,0]=3 1546 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O TS09287 [1,1,0,0,0,0|1,0,0]=3 1547 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O TS68678 [1,1,0,0,0,0|1,0,0]=3 1548 B11R1.159 c1cc(c(c(c1)N)Cl)C(=O)O TS02627 [1,1,0,0,0,0|1,0,0]=3 1549 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O TS08861 [1,1,0,0,0,0|1,0,0]=3 1550 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N TS65011 [1,1,0,0,0,0|2,0,0]=4 1551 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [1,1,0,0,0,0|1,0,0]=3 1552 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] TS22760 [1,1,0,0,0,0|1,0,1]=4 1553 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] TS55207 [1,1,0,0,0,0|1,0,1]=4 1554 B11R1.159 c1cc(c(c(c1)O)F)[N+](=O)[O-] TS08406 [1,1,0,0,0,0|1,0,1]=4 1555 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS50976 [1,1,0,0,0,0|0,0,0]=2 1556 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS65023 [1,1,0,0,0,0|0,0,0]=2 1557 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] TS00725 [1,1,0,0,0,0|1,0,1]=4 1558 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [1,1,0,0,0,0|0,0,0]=2 1559 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Br TS85394 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl TS47152 [1,1,0,0,0,0|2,0,0]=4 1561 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl TS65040 [1,1,0,0,0,0|2,0,0]=4 1562 B11R1.159 c1cnc(c(c1C(=O)O)F)F TS11097 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.159 c1cnc(c(c1C(=O)O)F)I TS30363 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.159 c1cnc(c(c1C(=O)O)I)Br TS77711 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl TS45690 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.159 c1cnc(c(c1N)Cl)C(=O)O TS13260 [1,1,0,0,0,0|2,0,0]=4 1567 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [1,1,0,0,0,0|2,0,0]=4 1568 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [1,1,0,0,0,0|2,0,0]=4 1571 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [1,1,0,0,0,0|1,0,0]=3 1575 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [1,1,0,0,0,0|1,0,0]=3 1579 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [1,1,0,0,0,0|1,0,0]=3 1588 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [1,1,0,0,0,0|1,0,0]=3 1589 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [1,1,0,0,0,0|1,0,0]=3 1590 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [1,1,0,0,0,0|1,0,0]=3 1591 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [1,1,0,0,0,0|1,0,0]=3 1592 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [1,1,0,0,0,0|1,0,0]=3 1593 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [1,1,0,0,0,0|1,0,0]=3 1594 B11R1.167 Cc1ccc(cc1C(=O)Cl)F TS45555 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.167 Cc1ccc(cc1C(=O)O)Br TS09795 [1,1,0,0,0,0|1,0,0]=3 1597 B11R1.167 Cc1ccc(cc1C(=O)O)Cl TS59724 [1,1,0,0,0,0|1,0,0]=3 1598 B11R1.167 Cc1ccc(cc1C(=O)O)F TS71548 [1,1,0,0,0,0|1,0,0]=3 1599 B11R1.167 Cc1ccc(cc1C(=O)O)I TS71573 [1,1,0,0,0,0|1,0,0]=3 1600 B11R1.167 Cc1ccc(cc1C(=O)O)N TS10034 [1,1,0,0,0,0|1,0,0]=3 1601 B11R1.167 Cc1ccc(cc1C(=O)O)O TS08754 [1,1,0,0,0,0|0,0,0]=2 1602 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O TS01859 [1,1,0,0,0,0|1,0,1]=4 1603 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O TS34266 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.167 c1c(c(cnc1Br)N)C(=O)O TS85822 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.167 c1c(c(cnc1Cl)Br)C(=O)O TS16984 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O TS00661 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O TS71357 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.167 c1c(c(cnc1F)N)C(=O)O TS10650 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br TS59583 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.167 c1c(cnc(c1C(=O)O)Br)Cl TS55120 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br TS16986 [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl TS00663 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F TS55246 [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N TS13259 [1,1,0,0,0,0|2,0,0]=4 1615 B11R1.167 c1c(cnc(c1C(=O)O)F)Br TS71423 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl TS09844 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.167 c1c(cnc(c1C(=O)O)F)F TS42019 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS47432 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS86237 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.167 c1c(cnc(c1C(=O)O)O)Br TS09780 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl TS71493 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.167 c1c(cnc(c1C(=O)O)O)F TS10827 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl TS28542 [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br TS47248 [1,1,0,0,0,0|1,0,0]=3 1626 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl TS93544 [1,1,0,0,0,0|1,0,0]=3 1627 B11R1.167 c1cc(c(cc1Br)C(=O)O)F TS71420 [1,1,0,0,0,0|1,0,0]=3 1628 B11R1.167 c1cc(c(cc1Br)C(=O)O)I TS09784 [1,1,0,0,0,0|1,0,0]=3 1629 B11R1.167 c1cc(c(cc1Br)C(=O)O)N TS44778 [1,1,0,0,0,0|1,0,0]=3 1630 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [1,1,0,0,0,0|1,0,0]=3 1631 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [1,1,0,0,0,0|1,0,0]=3 1632 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)Cl TS00659 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F TS17600 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F TS13401 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N TS45231 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br TS55118 [1,1,0,0,0,0|1,0,0]=3 1638 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl TS17212 [1,1,0,0,0,0|1,0,0]=3 1639 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F TS09840 [1,1,0,0,0,0|1,0,0]=3 1640 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I TS07824 [1,1,0,0,0,0|1,0,0]=3 1641 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS00775 [1,1,0,0,0,0|1,0,0]=3 1642 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS43384 [1,1,0,0,0,0|1,0,0]=3 1643 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [1,1,0,0,0,0|1,0,0]=3 1644 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [1,1,0,0,0,0|1,0,0]=3 1645 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br TS26098 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl TS17597 [1,1,0,0,0,0|2,0,0]=4 1647 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl TS13404 [1,1,0,0,0,0|2,0,0]=4 1648 B11R1.167 c1cc(c(cc1F)C(=O)N)F TS41741 [1,1,0,0,0,0|2,0,0]=4 1649 B11R1.167 c1cc(c(cc1F)C(=O)N)N TS00785 [1,1,0,0,0,0|2,0,0]=4 1650 B11R1.167 c1cc(c(cc1F)C(=O)O)Br TS60266 [1,1,0,0,0,0|1,0,0]=3 1651 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl TS09282 [1,1,0,0,0,0|1,0,0]=3 1652 B11R1.167 c1cc(c(cc1F)C(=O)O)F TS00676 [1,1,0,0,0,0|1,0,0]=3 1653 B11R1.167 c1cc(c(cc1F)C(=O)O)I TS01073 [1,1,0,0,0,0|1,0,0]=3 1654 B11R1.167 c1cc(c(cc1F)C(=O)O)N TS08951 [1,1,0,0,0,0|1,0,0]=3 1655 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [1,1,0,0,0,0|1,0,0]=3 1656 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [1,1,0,0,0,0|1,0,0]=3 1657 B11R1.167 c1cc(c(cc1I)C(=O)O)Br TS77657 [1,1,0,0,0,0|1,0,0]=3 1658 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl TS65397 [1,1,0,0,0,0|1,0,0]=3 1659 B11R1.167 c1cc(c(cc1I)C(=O)O)F TS01001 [1,1,0,0,0,0|1,0,0]=3 1660 B11R1.167 c1cc(c(cc1I)C(=O)O)I TS66956 [1,1,0,0,0,0|1,0,0]=3 1661 B11R1.167 c1cc(c(cc1I)C(=O)O)N TS68682 [1,1,0,0,0,0|1,0,0]=3 1662 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [1,1,0,0,0,0|1,0,0]=3 1663 B11R1.167 c1cc(c(cc1N)C(=O)O)Br TS71352 [1,1,0,0,0,0|1,0,0]=3 1664 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS13075 [1,1,0,0,0,0|1,0,0]=3 1665 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS30728 [1,1,0,0,0,0|1,0,0]=3 1666 B11R1.167 c1cc(c(cc1N)C(=O)O)N TS41122 [1,1,0,0,0,0|1,0,0]=3 1667 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [1,1,0,0,0,0|1,0,0]=3 1668 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [1,1,0,0,0,0|1,0,1]=4 1669 B11R1.167 c1cc(c(cc1O)C(=O)O)Br TS22158 [1,1,0,0,0,0|0,0,0]=2 1670 B11R1.167 c1cc(c(cc1O)C(=O)O)F TS00998 [1,1,0,0,0,0|0,0,0]=2 1671 B11R1.167 c1cc(c(cc1O)C(=O)O)I TS29985 [1,1,0,0,0,0|0,0,0]=2 1672 B11R1.167 c1cc(c(cc1O)C(=O)O)N TS03332 [1,1,0,0,0,0|0,0,0]=2 1673 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [1,1,0,0,0,0|0,0,0]=2 1674 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [1,1,0,0,0,0|0,0,1]=3 1675 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Br TS70978 [1,1,0,0,0,0|1,0,1]=4 1676 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl TS45691 [1,1,0,0,0,0|1,0,1]=4 1677 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F TS71130 [1,1,0,0,0,0|1,0,1]=4 1678 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])I TS30110 [1,1,0,0,0,0|1,0,1]=4 1679 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N TS39731 [1,1,0,0,0,0|1,0,1]=4 1680 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [1,1,0,0,0,0|1,0,1]=4 1681 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS51386 [1,1,0,0,0,0|2,0,0]=4 1682 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS63216 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl TS39359 [1,1,0,0,0,0|2,0,0]=4 1684 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl TS89991 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl TS43152 [1,1,0,0,0,0|1,0,1]=4 1686 B11R1.266 B(c1cccc(c1)CO)(O)O TS65707 [1,1,0,0,0,0|1,0,1]=4 1687 B11R1.266 B(c1cccc(c1)OC)(O)O TS02824 [1,1,0,0,0,0|1,0,1]=4 1688 B11R1.266 C#Cc1cccc(c1)C(=O)O TS70561 [1,1,0,0,0,0|1,0,0]=3 1689 B11R1.266 C=Cc1cccc(c1)C(=O)O TS07411 [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.266 CC(=O)c1cccc(c1)C#C TS40169 [1,1,0,0,0,0|2,0,0]=4 1691 B11R1.266 CC(=O)c1cccc(c1)C#N TS65829 [1,1,0,0,0,0|2,0,0]=4 1692 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [1,1,0,0,0,0|1,0,0]=3 1694 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.266 CC(c1cccc(c1)OC)O TS41146 [1,1,0,0,0,0|1,0,1]=4 1696 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [1,1,0,0,0,0|1,0,0]=3 1698 B11R1.266 CCc1ccnc(c1)C(=O)O TS15879 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [1,1,0,0,0,0|1,0,0]=3 1700 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [1,1,0,0,0,0|1,0,0]=3 1702 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [1,1,0,0,0,0|1,0,0]=3 1704 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [1,1,0,0,0,0|1,0,0]=3 1706 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [1,1,0,0,0,0|1,0,0]=3 1707 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [1,1,0,0,0,0|0,0,0]=2 1708 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [1,1,0,0,0,0|1,1,0]=4 1709 B11R1.266 COc1cccc(c1)[N+](=O)[O-] TS41249 [1,1,0,0,0,0|1,0,1]=4 1710 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [1,1,0,0,0,0|2,0,0]=4 1711 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [1,1,0,0,0,0|1,0,0]=3 1712 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [1,1,0,0,0,0|2,0,0]=4 1713 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [1,1,0,0,0,0|1,0,0]=3 1714 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [1,1,0,0,0,0|1,0,0]=3 1715 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [1,1,0,0,0,0|0,1,0]=3 1716 B11R1.266 c1c(cncc1C(=O)O)C#N TS32655 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N TS66019 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl TS09440 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.266 c1cc(cc(c1)C(=O)N)C#N TS07199 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.266 c1cc(cc(c1)C(=O)N)CCl TS02187 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.266 c1cc(cc(c1)C(=O)O)C#N TS01790 [1,1,0,0,0,0|1,0,0]=3 1722 B11R1.266 c1cc(cc(c1)C(=O)O)C=O TS02778 [1,1,0,0,0,0|0,0,1]=3 1723 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [1,1,0,0,0,0|1,0,0]=3 1724 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [1,1,0,0,0,0|1,0,0]=3 1725 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [1,1,0,0,0,0|1,0,0]=3 1726 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [1,1,0,0,0,0|1,0,0]=3 1727 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [1,1,0,0,0,0|0,0,0]=2 1728 B11R1.266 c1cc(cc(c1)N=O)C(=O)N TS40819 [1,1,0,0,0,0|1,0,1]=4 1729 B11R1.266 c1cc(cc(c1)NN)C(=O)O TS10146 [1,1,0,0,0,0|1,0,0]=3 1730 B11R1.266 c1cc(nc(c1)C(=O)O)CN TS41110 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.266 c1cnc(cc1C(=O)O)C#N TS40597 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.266 c1cnc(cc1C(=O)O)NN TS88062 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.266 c1cnc(cc1CO)C(=O)N TS41119 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.14 Cc1cc(cc(c1Br)C)C=O TS09568 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.14 Cc1cc(cc(c1O)C)C=O TS40860 [1,1,0,0,0,0|1,0,0]=3 1736 B11R1.14 Cc1cc(cc(c1O)C)N=O TS40998 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.14 c1c(cc(c(c1Br)O)Br)C=O TS34165 [1,1,0,0,0,0|1,0,0]=3 1738 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C=O TS17214 [1,1,0,0,0,0|1,0,0]=3 1739 B11R1.14 c1c(cc(c(c1F)F)F)C=O TS02517 [1,1,0,0,0,0|2,0,0]=4 1740 B11R1.14 c1c(cc(c(c1F)O)F)C=O TS02196 [1,1,0,0,0,0|1,0,0]=3 1741 B11R1.14 c1c(cc(c(c1I)O)I)C=O TS66954 [1,1,0,0,0,0|1,0,0]=3 1742 B11R1.14 c1c(cc(c(c1O)O)Br)C=O TS22885 [1,1,0,0,0,0|0,0,0]=2 1743 B11R1.14 c1c(cc(c(c1O)O)Cl)C=O TS13253 [1,1,0,0,0,0|0,0,0]=2 1744 B11R1.192 Cc1ccc(cc1C)C=NO TS07573 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.192 c1cc(c(cc1C=NO)Br)F TS49338 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.192 c1cc(c(cc1C=NO)Cl)Cl TS16278 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.192 c1cc(c(cc1C=NO)F)Cl TS45697 [1,1,0,0,0,0|2,0,0]=4 1748 B11R1.192 c1cc(c(cc1C=NO)O)O TS41241 [1,1,0,0,0,0|0,0,0]=2 1749 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [1,1,0,0,0,0|1,0,1]=4 1750 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [1,1,0,0,0,0|1,0,1]=4 1751 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [1,1,0,0,0,0|1,0,1]=4 1752 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [1,1,0,0,0,0|0,0,1]=3 1753 B11R1.277 Cc1cc(c(cc1Br)F)C=O TS16761 [1,1,0,0,0,0|2,0,0]=4 1754 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [1,1,0,0,0,0|2,0,0]=4 1755 B11R1.277 Cc1cc(c(cc1C=O)F)Br TS39472 [1,1,0,0,0,0|2,0,0]=4 1756 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [1,1,0,0,0,0|2,0,0]=4 1757 B11R1.277 Cc1cc(c(cc1O)C)C=O TS71150 [1,1,0,0,0,0|1,0,0]=3 1758 B11R1.277 c1c(c(cc(c1Br)F)O)C=O TS49543 [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.277 c1c(c(cc(c1Br)O)Br)C=O TS54282 [1,1,0,0,0,0|1,0,0]=3 1760 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O TS16794 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O TS17601 [1,1,0,0,0,0|2,0,0]=4 1762 B11R1.277 c1c(c(cc(c1F)Cl)F)C=O TS65125 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O TS60274 [1,1,0,0,0,0|2,0,0]=4 1764 B11R1.277 c1c(c(cc(c1F)F)F)C=O TS00581 [1,1,0,0,0,0|2,0,0]=4 1765 B11R1.277 c1c(c(cc(c1O)O)O)C=O TS10388 [1,1,0,0,0,0|0,0,0]=2 1766 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [1,1,0,0,0,0|2,0,0]=4 1768 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [1,1,0,0,0,0|1,0,0]=3 1769 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [1,1,0,0,0,0|2,0,0]=4 1770 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [1,1,0,0,0,0|2,0,0]=4 1771 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [1,1,0,0,0,0|1,0,1]=4 1772 B11R1.278 c1cc(c(c(c1C=O)Cl)Cl)O TS60227 [1,1,0,0,0,0|1,0,0]=3 1773 B11R1.278 c1cc(c(c(c1C=O)F)Cl)F TS13933 [1,1,0,0,0,0|2,0,0]=4 1774 B11R1.278 c1cc(c(c(c1C=O)F)F)Br TS23219 [1,1,0,0,0,0|2,0,0]=4 1775 B11R1.278 c1cc(c(c(c1C=O)F)F)F TS00532 [1,1,0,0,0,0|2,0,0]=4 1776 B11R1.278 c1cc(c(c(c1C=O)F)F)I TS30479 [1,1,0,0,0,0|2,0,0]=4 1777 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [1,1,0,0,0,0|0,0,0]=2 1778 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [1,1,0,0,0,0|2,0,0]=4 1780 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [1,1,0,0,0,0|1,0,0]=3 1783 B11R1.279 COc1ccc(cc1Br)CO TS59850 [1,1,0,0,0,0|1,0,1]=4 1784 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [1,1,0,0,0,0|1,0,0]=3 1785 B11R1.279 COc1ccc(cc1F)CO TS41603 [1,1,0,0,0,0|1,0,1]=4 1786 B11R1.279 COc1ccc(cc1I)C=O TS08986 [1,1,0,0,0,0|1,0,0]=3 1787 B11R1.279 COc1ccc(cc1O)C#N TS70607 [1,1,0,0,0,0|1,0,1]=4 1788 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|0,0,0]=2 1789 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|1,0,1]=4 1790 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|0,0,1]=3 1791 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|1,0,0]=3 1792 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|1,0,1]=4 1793 B11R1.279 c1cc(c(cc1C=O)F)C#N TS39660 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [1,1,0,0,0,0|1,0,1]=4 1795 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [1,1,0,0,0,0|1,0,1]=4 1796 B11R1.280 COc1cc(ccc1F)C=O TS02813 [1,1,0,0,0,0|1,0,0]=3 1797 B11R1.280 COc1cc(ccc1F)CO TS41605 [1,1,0,0,0,0|1,0,1]=4 1798 B11R1.280 COc1cc(ccc1O)C#N TS03114 [1,1,0,0,0,0|1,0,1]=4 1799 B11R1.280 COc1cc(ccc1O)C=C TS40861 [1,1,0,0,0,0|1,0,0]=3 1800 B11R1.280 COc1cc(ccc1O)C=O TS02812 [1,1,0,0,0,0|0,0,0]=2 1801 B11R1.280 COc1cc(ccc1O)CN TS16249 [1,1,0,0,0,0|1,0,1]=4 1802 B11R1.280 COc1cc(ccc1O)CO TS10411 [1,1,0,0,0,0|0,0,1]=3 1803 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [1,1,0,0,0,0|1,0,0]=3 1805 B11R1.280 c1cc(c(cc1C=O)C#N)F TS09714 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [1,1,0,0,0,0|0,0,1]=3 1807 B11R1.280 c1cc(c(nc1CO)CO)O TS10564 [1,1,0,0,0,0|1,0,1]=4 1808 B11R1.64 COc1c(csc1Br)C(=O)O TS60078 [0,1,0,0,1,0|2,0,0]=4 1809 B11R1.64 COc1c(csc1Cl)C(=O)O TS07711 [0,1,0,0,1,0|2,0,0]=4 1810 B11R1.865 COC(=O)c1c(c(cs1)Br)O TS56898 [0,1,0,0,1,0|2,0,0]=4 1811 B13R1.35 CC(=O)Cc1ccc(c(c1)O)OC TS47882 [0,1,0,0,0,1|1,0,0]=3 1812 B13R1.35 CC(=O)Nc1ccc(c(c1)N)OC TS47927 [0,1,0,0,0,1|2,0,0]=4 1813 B13R1.35 COc1ccc(cc1Br)CC(=O)O TS09330 [0,1,0,0,0,1|1,0,0]=3 1814 B13R1.35 COc1ccc(cc1F)CC(=O)O TS48541 [0,1,0,0,0,1|1,0,0]=3 1815 B13R1.35 COc1ccc(cc1O)CC(=O)O TS00156 [0,1,0,0,0,1|0,0,0]=2 1816 B13R1.35 Cc1cc(ccc1OC)CC(=O)C TS14235 [0,1,0,0,0,1|2,0,0]=4 1817 B13R1.35 Cc1cc(ccc1OC)CC(=O)O TS07811 [0,1,0,0,0,1|1,0,0]=3 1818 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O TS47898 [0,1,0,0,0,1|1,0,0]=3 1819 B13R1.52 CC(=O)Nc1ccc(c(c1)OC)O TS14771 [0,1,0,0,0,1|1,0,0]=3 1820 B13R1.52 COc1cc(ccc1F)CC(=O)O TS59616 [0,1,0,0,0,1|1,0,0]=3 1821 B13R1.52 COc1cc(ccc1O)CC(=O)O TS60412 [0,1,0,0,0,1|0,0,0]=2 1822 B13R1.510 c1cc(c(cc1C(=O)C(=O)O)O)O TS48192 [0,1,0,0,0,1|0,0,0]=2 1823 B13R1.510 c1cc(c(cc1C(C(=O)O)N)Cl)F TS19649 [0,1,0,0,0,1|2,0,0]=4 1824 B13R1.510 c1cc(c(cc1C(C(=O)O)N)O)O TS15106 [0,1,0,0,0,1|0,0,0]=2 1825 B13R1.510 c1cc(c(cc1C(C(=O)O)O)F)F TS50661 [0,1,0,0,0,1|2,0,0]=4 1826 B13R1.510 c1cc(c(cc1C(C(=O)O)O)O)O TS48523 [0,1,0,0,0,1|0,0,0]=2 1827 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)O)O TS48401 [0,1,0,0,0,1|0,0,0]=2 1828 B13R1.518 c1cc(c(cc1NS(=O)(=O)O)O)O TS19944 [0,1,0,0,0,1|1,0,0]=3 1829 B13R1.876 c1c(c(cc(c1F)Cl)Cl)CC(=O)O TS50254 [0,1,0,0,0,1|2,0,0]=4 1830 B13R1.876 c1c(c(cc(c1F)F)Br)CC(=O)O TS16838 [0,1,0,0,0,1|2,0,0]=4 1831 B13R1.876 c1c(c(cc(c1F)F)Cl)CC(=O)O TS39099 [0,1,0,0,0,1|2,0,0]=4 1832 B13R1.876 c1c(c(cc(c1F)F)F)CC(=O)O TS07993 [0,1,0,0,0,1|2,0,0]=4 1833 B13R1.2879 COC(=O)Cc1ccc(c(c1)Cl)Cl TS49548 [0,1,0,0,0,1|2,0,0]=4 1834 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)F TS48852 [0,1,0,0,0,1|2,0,0]=4 1835 B13R1.2879 COC(=O)Cc1ccc(c(c1)N)Cl TS37801 [0,1,0,0,0,1|2,0,0]=4 1836 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O TS64872 [0,1,0,0,0,1|0,0,0]=2 1837 B13R1.2879 COC(=O)Nc1ccc(c(c1)Cl)Cl TS49703 [0,1,0,0,0,1|2,0,0]=4 1838 B13R1.2879 Cc1cc(ccc1O)CC(=O)OC TS47065 [0,1,0,0,0,1|1,0,0]=3 1839 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)OC TS37800 [0,1,0,0,0,1|2,0,0]=4 1840 B13R1.3528 c1cc(c(c(c1CC(=O)O)F)F)F TS17005 [0,1,0,0,0,1|2,0,0]=4 1841 B13R1.3528 c1cc(c(c(c1CC(=O)O)F)F)N TS15759 [0,1,0,0,0,1|2,0,0]=4 1842 B13R1.3763 c1c(cc(c(c1F)F)F)CC(=O)O TS17004 [0,1,0,0,0,1|2,0,0]=4 1843 B13R1.38 COc1ccc(cc1N)S(=O)(=O)O TS38444 [0,2,0,0,0,0|2,0,0]=4 1844 B13R1.50 COc1cc(ccc1O)S(=O)(=O)[O-] TS72704 [0,2,0,0,0,0|1,0,1]=4 1845 B13R1.120 B(c1ccc(cc1Cl)C(=O)O)(O)O TS09626 [0,2,0,0,0,0|1,0,0]=3 1846 B13R1.120 B(c1ccc(cc1F)C(=O)O)(O)O TS48507 [0,2,0,0,0,0|1,0,0]=3 1847 B13R1.120 B(c1ccc(cc1N)C(=O)O)(O)O TS22284 [0,2,0,0,0,0|1,0,0]=3 1848 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)O TS57812 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.120 CC(C)c1ccc(cc1I)C(=O)O TS58070 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.120 CN(C)c1ccc(cc1Br)C(=O)O TS61954 [0,2,0,0,0,0|2,0,0]=4 1851 B13R1.120 CN(C)c1ccc(cc1I)C(=O)O TS58144 [0,2,0,0,0,0|2,0,0]=4 1852 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])C(=O)O TS93671 [0,2,0,0,0,0|1,0,1]=4 1853 B13R1.120 c1cc(c(cc1C(=O)O)Br)C(=O)O TS55174 [0,2,0,0,0,0|1,0,0]=3 1854 B13R1.120 c1cc(c(cc1C(=O)O)Br)C(F)F TS28134 [0,2,0,0,0,0|2,0,0]=4 1855 B13R1.120 c1cc(c(cc1C(=O)O)Br)[N+](=O)[O-] TS09462 [0,2,0,0,0,0|1,0,1]=4 1856 B13R1.120 c1cc(c(cc1C(=O)O)Cl)[N+](=O)[O-] TS65987 [0,2,0,0,0,0|1,0,1]=4 1857 B13R1.120 c1cc(c(cc1C(=O)O)F)[N+](=O)[O-] TS48695 [0,2,0,0,0,0|1,0,1]=4 1858 B13R1.120 c1cc(c(cc1C(=O)O)I)C(=O)O TS35472 [0,2,0,0,0,0|1,0,0]=3 1859 B13R1.120 c1cc(c(cc1C(=O)O)I)C(F)F TS56002 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.120 c1cc(c(cc1C(=O)O)N)C(=O)O TS33223 [0,2,0,0,0,0|1,0,0]=3 1861 B13R1.120 c1cc(c(cc1C(=O)O)N)[N+](=O)[O-] TS14888 [0,2,0,0,0,0|1,0,1]=4 1862 B13R1.120 c1cc(c(cc1C(=O)O)O)[N+](=O)[O-] TS70612 [0,2,0,0,0,0|0,0,1]=3 1863 B13R1.120 c1cc(c(cc1[N+](=O)[O-])O)C(=O)O TS71264 [0,2,0,0,0,0|1,0,1]=4 1864 B13R1.144 CCCc1ccc(cc1Br)C(=O)O TS26966 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.144 CCCc1ccc(cc1I)C(=O)O TS58063 [0,2,0,0,0,0|2,0,0]=4 1866 B13R1.144 CCNc1ccc(cc1Br)C(=O)O TS61960 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.144 CCNc1ccc(cc1I)C(=O)O TS58139 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.144 CCOc1ccc(cc1Br)C(=O)O TS27259 [0,2,0,0,0,0|1,0,0]=3 1869 B13R1.144 CCOc1ccc(cc1I)C(=O)O TS58251 [0,2,0,0,0,0|1,0,0]=3 1870 B13R1.652 COc1cc(c(cc1F)C(=O)O)N TS92046 [0,2,0,0,0,0|1,0,0]=3 1871 B13R1.3088 CCc1ccc(cc1Br)C(=O)OC TS57816 [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.3088 CCc1ccc(cc1I)C(=O)OC TS58062 [0,2,0,0,0,0|2,0,0]=4 1873 B13R1.3088 CNc1ccc(cc1Br)C(=O)OC TS61955 [0,2,0,0,0,0|2,0,0]=4 1874 B13R1.3088 CNc1ccc(cc1I)C(=O)OC TS58140 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CBr TS29963 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN TS37806 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.3088 COC(=O)c1ccc(c(c1)F)C#N TS33069 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.3088 COC(=O)c1ccc(c(c1)F)CBr TS70993 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO TS48237 [0,2,0,0,0,0|0,0,0]=2 1880 B13R1.3088 COc1ccc(cc1Br)C(=O)CBr TS60694 [0,2,0,0,0,0|2,0,0]=4 1881 B13R1.3088 COc1ccc(cc1Br)C(=O)CO TS27268 [0,2,0,0,0,0|1,0,0]=3 1882 B13R1.3088 COc1ccc(cc1Br)C(=O)OC TS39542 [0,2,0,0,0,0|1,0,0]=3 1883 B13R1.3088 COc1ccc(cc1Cl)C(=O)OC TS60144 [0,2,0,0,0,0|1,0,0]=3 1884 B13R1.3088 COc1ccc(cc1F)C(=O)OC TS15243 [0,2,0,0,0,0|1,0,0]=3 1885 B13R1.3088 COc1ccc(cc1I)C(=O)OC TS58249 [0,2,0,0,0,0|1,0,0]=3 1886 B13R1.3088 COc1ccc(cc1N)C(=O)OC TS59653 [0,2,0,0,0,0|1,0,0]=3 1887 B13R1.3088 COc1ccc(cc1O)C(=O)OC TS56274 [0,2,0,0,0,0|0,0,0]=2 1888 B13R1.3091 B(c1ccc(c(c1)CO)OC)(O)O TS94229 [0,2,0,0,0,0|1,0,1]=4 1889 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O TS02559 [0,2,0,0,0,0|1,0,1]=4 1890 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)OC TS85334 [0,2,0,0,0,0|2,0,0]=4 1891 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC TS02552 [0,2,0,0,0,0|1,0,0]=3 1892 B13R1.3091 COc1cc(ccc1CN)C(=O)O TS48083 [0,2,0,0,0,0|1,0,0]=3 1893 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] TS02015 [0,2,0,0,0,0|1,0,1]=4 1894 B13R1.3091 COc1ccc(cc1OC)C(=N)N TS02554 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.3091 COc1ccc(cc1OC)C(=O)Cl TS19109 [0,2,0,0,0,0|1,0,0]=3 1896 B13R1.3091 COc1ccc(cc1OC)C(=O)N TS48080 [0,2,0,0,0,0|1,0,0]=3 1897 B13R1.3091 COc1ccc(cc1OC)C(=O)O TS14931 [0,2,0,0,0,0|0,0,0]=2 1898 B13R1.3091 COc1ccc(cc1OC)C(=S)N TS18480 [0,2,0,0,0,0|1,1,0]=4 1899 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] TS15115 [0,2,0,0,0,0|1,0,1]=4 1900 B13R1.3096 COc1ccc(c(c1F)F)C(=O)O TS02335 [0,2,0,0,0,0|1,0,0]=3 1901 B13R1.3096 COc1ccc(c(c1O)O)C(=O)O TS15240 [0,2,0,0,0,0|0,0,0]=2 1902 B13R1.3096 Cc1c(ccc(c1N)C(=O)C)OC TS08139 [0,2,0,0,0,0|2,0,0]=4 1903 B13R1.3380 CC(=O)c1cc(c(c(c1)F)OC)F TS02360 [0,2,0,0,0,0|2,0,0]=4 1904 B13R1.3380 COc1c(cc(cc1Br)C(=O)O)Br TS02349 [0,2,0,0,0,0|1,0,0]=3 1905 B13R1.3380 COc1c(cc(cc1Cl)C(=O)O)Cl TS23226 [0,2,0,0,0,0|1,0,0]=3 1906 B13R1.3380 COc1c(cc(cc1F)C(=O)O)F TS02361 [0,2,0,0,0,0|1,0,0]=3 1907 B13R1.3380 COc1c(cc(cc1O)C(=O)O)O TS48529 [0,2,0,0,0,0|0,0,0]=2 1908 B13R1.3380 Cc1cc(cc(c1OC)C)C(=O)C TS16728 [0,2,0,0,0,0|2,0,0]=4 1909 B13R1.3380 Cc1cc(cc(c1OC)C)C(=O)O TS65806 [0,2,0,0,0,0|1,0,0]=3 1910 B13R1.3380 c1c(cc(c(c1F)C=O)F)C(=O)O TS15558 [0,2,0,0,0,0|1,0,1]=4 1911 B13R1.13 B(c1cc(ccc1Cl)C(=O)C)(O)O TS54112 [0,2,0,0,0,0|2,0,0]=4 1912 B13R1.13 B(c1cc(ccc1Cl)C(=O)O)(O)O TS85284 [0,2,0,0,0,0|1,0,0]=3 1913 B13R1.13 B(c1cc(ccc1F)C(=O)C)(O)O TS03209 [0,2,0,0,0,0|2,0,0]=4 1914 B13R1.13 B(c1cc(ccc1F)C(=O)O)(O)O TS85285 [0,2,0,0,0,0|1,0,0]=3 1915 B13R1.13 CC(=O)c1ccc(c(c1)C(=O)N)O TS47693 [0,2,0,0,0,0|1,0,1]=4 1916 B13R1.13 CC(=O)c1ccc(c(c1)C(=O)O)O TS47856 [0,2,0,0,0,0|1,0,0]=3 1917 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O TS03119 [0,2,0,0,0,0|1,0,1]=4 1918 B13R1.13 c1c(cnc(c1C(=O)O)N)C(=O)O TS14887 [0,2,0,0,0,0|2,0,0]=4 1919 B13R1.13 c1c(cnc(c1[N+](=O)[O-])O)C(=O)O TS55605 [0,2,0,0,0,0|1,0,1]=4 1920 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)O)Br TS09608 [0,2,0,0,0,0|1,0,0]=3 1921 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)O)N TS14747 [0,2,0,0,0,0|1,0,0]=3 1922 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)O)O TS71174 [0,2,0,0,0,0|0,0,0]=2 1923 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])Br TS70976 [0,2,0,0,0,0|1,0,1]=4 1924 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])Cl TS09647 [0,2,0,0,0,0|1,0,1]=4 1925 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])F TS71125 [0,2,0,0,0,0|1,0,1]=4 1926 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])I TS07799 [0,2,0,0,0,0|1,0,1]=4 1927 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])N TS70894 [0,2,0,0,0,0|1,0,1]=4 1928 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])O TS39750 [0,2,0,0,0,0|0,0,1]=3 1929 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)O TS39670 [0,2,0,0,0,0|1,0,1]=4 1930 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O TS14589 [0,2,0,0,0,0|1,0,0]=3 1931 B13R1.49 CCc1cc(ccc1O)C(=O)OC TS14618 [0,2,0,0,0,0|1,0,0]=3 1932 B13R1.49 COC(=O)c1ccc(c(c1)C#N)F TS56272 [0,2,0,0,0,0|2,0,0]=4 1933 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O TS14540 [0,2,0,0,0,0|0,0,1]=3 1934 B13R1.49 COc1cc(ccc1I)C(=O)OC TS58253 [0,2,0,0,0,0|1,0,0]=3 1935 B13R1.49 COc1cc(ccc1N)C(=O)OC TS08591 [0,2,0,0,0,0|1,0,0]=3 1936 B13R1.49 COc1cc(ccc1O)C(=O)NN TS14937 [0,2,0,0,0,0|1,0,0]=3 1937 B13R1.49 COc1cc(ccc1O)C(=O)OC TS16566 [0,2,0,0,0,0|0,0,0]=2 1938 B13R1.49 COc1cc(ccc1O)C(CO)O TS82469 [0,2,0,0,0,0|0,0,2]=4 1939 B13R1.49 COc1cc(cnc1N)C(=O)OC TS14944 [0,2,0,0,0,0|2,0,0]=4 1940 B13R1.49 Cc1ccc(cc1OC)C(=O)OC TS59795 [0,2,0,0,0,0|1,0,0]=3 1941 B13R1.49 Cc1ccc(cc1[N+]#[C-])C(=O)OC TS13681 [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)O TS38342 [0,2,0,0,0,0|0,0,0]=2 1943 B13R1.298 COc1cc(cc(c1O)O)C(=O)O TS48528 [0,2,0,0,0,0|0,0,0]=2 1944 B13R1.354 CC(=O)c1ccc(c(c1)CC=C)O TS13855 [0,2,0,0,0,0|2,0,0]=4 1945 B13R1.651 COc1cc(c(cc1F)N)C(=O)O TS89032 [0,2,0,0,0,0|1,0,0]=3 1946 B13R1.651 Cc1cc(c(cc1OC)C(=O)C)O TS14575 [0,2,0,0,0,0|2,0,0]=4 1947 B13R1.3230 COc1c(ccc(c1F)C(=O)O)Br TS60383 [0,2,0,0,0,0|1,0,0]=3 1948 B13R1.3230 COc1c(ccc(c1F)C(=O)O)F TS00625 [0,2,0,0,0,0|1,0,0]=3 1949 B13R1.3230 Cc1cnc(c(c1OC)C)C(=O)O TS90760 [0,2,0,0,0,0|2,0,0]=4 1950 B13R1.1807 COC(=O)c1cc(c(cc1F)F)N TS39547 [0,2,0,0,0,0|2,0,0]=4 1951 B13R1.1807 COC(=O)c1cc(c(cc1N)F)F TS56243 [0,2,0,0,0,0|2,0,0]=4 1952 B13R1.1807 COC(=O)c1cc(c(cc1O)O)Br TS62387 [0,2,0,0,0,0|1,0,0]=3 1953 B13R1.1807 COC(=O)c1cc(c(cc1O)O)I TS58449 [0,2,0,0,0,0|1,0,0]=3 1954 B13R1.1807 Cc1cc(c(cc1Br)C(=O)OC)O TS27260 [0,2,0,0,0,0|2,0,0]=4 1955 B13R1.1807 Cc1cc(c(cc1C(=O)OC)Br)C TS57811 [0,2,0,0,0,0|2,0,0]=4 1956 B13R1.1807 Cc1cc(c(cc1C(=O)OC)Br)N TS61953 [0,2,0,0,0,0|2,0,0]=4 1957 B13R1.1807 Cc1cc(c(cc1C(=O)OC)I)C TS58069 [0,2,0,0,0,0|2,0,0]=4 1958 B13R1.1807 Cc1cc(c(cc1C(=O)OC)I)N TS58138 [0,2,0,0,0,0|2,0,0]=4 1959 B13R1.1807 Cc1cc(c(cc1I)C(=O)OC)O TS58250 [0,2,0,0,0,0|2,0,0]=4 1960 B13R1.1807 Cc1cc(c(cc1N)C)C(=O)OC TS39543 [0,2,0,0,0,0|2,0,0]=4 1961 B13R1.2398 COc1cc(c(cc1C(=O)O)Cl)N TS38155 [0,2,0,0,0,0|2,0,0]=4 1962 B13R1.2811 Cc1c(c(cc(c1F)F)C(=O)O)F TS00580 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.2811 c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O TS68326 [0,2,0,0,0,0|2,0,0]=4 1964 B13R1.2811 c1c(c(c(c(c1Cl)Cl)Cl)N)C(=O)O TS26593 [0,2,0,0,0,0|2,0,0]=4 1965 B13R1.2811 c1c(c(c(c(c1F)Cl)N)Cl)C(=O)O TS50399 [0,2,0,0,0,0|2,0,0]=4 1966 B13R1.2811 c1c(c(c(c(c1F)Cl)O)Cl)C(=O)O TS23942 [0,2,0,0,0,0|1,0,0]=3 1967 B13R1.2811 c1c(c(c(c(c1F)F)Br)F)C(=O)O TS28713 [0,2,0,0,0,0|2,0,0]=4 1968 B13R1.2811 c1c(c(c(c(c1F)F)F)N)C(=O)O TS17232 [0,2,0,0,0,0|2,0,0]=4 1969 B13R1.2811 c1c(c(c(c(c1F)F)N)F)C(=O)O TS51247 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.2811 c1c(c(c(c(c1F)F)O)F)C(=O)O TS39437 [0,2,0,0,0,0|1,0,0]=3 1971 B13R1.2812 Cc1c(c(cc(c1F)F)F)C(=O)O TS17008 [0,2,0,0,0,0|2,0,0]=4 1972 B13R1.2812 Cc1cc(c(c(c1C(=O)O)O)C)O TS48236 [0,2,0,0,0,0|1,0,0]=3 1973 B13R1.2812 c1c(c(c(c(c1Br)N)Br)C(=O)O)Br TS80127 [0,2,0,0,0,0|2,0,0]=4 1974 B13R1.2812 c1c(c(c(c(c1Br)O)Br)C(=O)O)Br TS69031 [0,2,0,0,0,0|1,0,0]=3 1975 B13R1.2812 c1c(c(c(c(c1Br)O)Br)C(=O)O)Br TS80180 [0,2,0,0,0,0|1,0,0]=3 1976 B13R1.2812 c1c(c(c(c(c1I)N)I)C(=O)O)I TS72843 [0,2,0,0,0,0|2,0,0]=4 1977 B13R1.2812 c1c(c(c(c(c1I)O)I)C(=O)O)I TS72856 [0,2,0,0,0,0|1,0,0]=3 1978 B13R1.466 CCOC(=O)c1cc(=O)c(co1)O TS48527 [0,2,0,0,0,0|1,0,1]=4 1979 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)F TS62395 [0,2,0,0,0,0|2,0,0]=4 1980 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)N TS61959 [0,2,0,0,0,0|2,0,0]=4 1981 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O TS27263 [0,2,0,0,0,0|1,0,0]=3 1982 B13R1.466 CCOC(=O)c1ccc(c(c1)C)Br TS33047 [0,2,0,0,0,0|2,0,0]=4 1983 B13R1.466 CCOC(=O)c1ccc(c(c1)C)N TS85101 [0,2,0,0,0,0|2,0,0]=4 1984 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)N TS37804 [0,2,0,0,0,0|2,0,0]=4 1985 B13R1.466 CCOC(=O)c1ccc(c(c1)F)F TS48851 [0,2,0,0,0,0|2,0,0]=4 1986 B13R1.466 CCOC(=O)c1ccc(c(c1)F)N TS65213 [0,2,0,0,0,0|2,0,0]=4 1987 B13R1.466 CCOC(=O)c1ccc(c(c1)I)C TS58065 [0,2,0,0,0,0|2,0,0]=4 1988 B13R1.466 CCOC(=O)c1ccc(c(c1)I)N TS58141 [0,2,0,0,0,0|2,0,0]=4 1989 B13R1.466 CCOC(=O)c1ccc(c(c1)I)O TS35480 [0,2,0,0,0,0|1,0,0]=3 1990 B13R1.466 CCOC(=O)c1ccc(c(c1)N)F TS48414 [0,2,0,0,0,0|2,0,0]=4 1991 B13R1.466 CCOC(=O)c1ccc(c(c1)N)N TS47924 [0,2,0,0,0,0|2,0,0]=4 1992 B13R1.466 CCOC(=O)c1ccc(c(c1)O)I TS58255 [0,2,0,0,0,0|1,0,0]=3 1993 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O TS14929 [0,2,0,0,0,0|0,0,0]=2 1994 B13R1.466 CNCC(c1ccc(c(c1)O)O)O TS15136 [0,2,0,0,0,0|1,0,1]=4 1995 B13R1.466 CNCC(c1ccc(c(c1)O)O)O TS22665 [0,2,0,0,0,0|1,0,1]=4 1996 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O TS16812 [0,2,0,0,0,0|1,0,1]=4 1997 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O TS33019 [0,2,0,0,0,0|1,0,1]=4 1998 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O TS33020 [0,2,0,0,0,0|1,0,1]=4 1999 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)O TS47913 [0,2,0,0,0,0|2,0,0]=4 2000 B13R1.1808 COC(=O)c1ccc(c(c1F)F)N TS15762 [0,2,0,0,0,0|2,0,0]=4 2001 B13R1.1808 Cc1ccc(c(c1F)C)C(=O)OC TS14957 [0,2,0,0,0,0|2,0,0]=4 2002 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)O)F TS48850 [0,2,0,0,0,0|2,0,0]=4 2003 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Br)O TS62245 [0,2,0,0,0,0|2,0,0]=4 2004 B13R1.2678 COC(=O)c1cc(c(c(c1)Br)O)Br TS76373 [0,2,0,0,0,0|1,0,0]=3 2005 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)Cl TS23228 [0,2,0,0,0,0|1,0,0]=3 2006 B13R1.2678 COC(=O)c1cc(c(c(c1)O)I)O TS58450 [0,2,0,0,0,0|1,0,0]=3 2007 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O TS48520 [0,2,0,0,0,0|0,0,0]=2 2008 B13R1.2678 Cc1c(cc(cc1Br)C(=O)OC)Br TS32709 [0,2,0,0,0,0|2,0,0]=4 2009 B13R1.2678 Cc1c(cc(cc1O)C(=O)OC)O TS48221 [0,2,0,0,0,0|1,0,0]=3 2010 B13R1.2678 Cc1cc(cc(c1O)C)C(=O)CCl TS54133 [0,2,0,0,0,0|2,0,0]=4 2011 B13R1.2678 c1c(cc(c(c1I)O)I)C(=O)NN TS69382 [0,2,0,0,0,0|2,0,0]=4 2012 B13R1.2678 c1c(cc(c(c1O)O)O)C(=O)NN TS48531 [0,2,0,0,0,0|1,0,0]=3 2013 B13R1.3158 COc1c(ccc(c1F)F)C(=O)O TS50666 [0,2,0,0,0,0|2,0,0]=4 2014 B11R1.90 Cc1ccsc1C=CC(=O)O TS44886 [0,0,1,1,0,0|1,1,0]=4 2015 B11R1.53 c1ccc(c(c1)C(=O)O)[Hg]O TS78416 [0,0,1,1,0,0|2,0,0]=4 2016 B11R1.53 c1ccc(c(c1)C=O)C(=O)O TS07648 [0,0,1,1,0,0|1,0,1]=4 2017 B11R1.81 c1cc(c(cc1O)O)C=NO TS10291 [0,0,1,1,0,0|2,0,0]=4 2018 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [1,0,0,1,0,0|2,0,0]=4 2019 B13R2.13083 Cc1cc2c(cc1Cl)[nH]c(=O)o2 TS48472 [0,0,0,1,0,1|2,0,0]=4 2020 B13R2.13083 c1c2c(cc(c1Cl)Br)oc(=O)[nH]2 TS62633 [0,0,0,1,0,1|2,0,0]=4 2021 B13R2.13083 c1c2c(cc(c1Cl)O)oc(=O)[nH]2 TS15501 [0,0,0,1,0,1|1,0,0]=3 2022 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O TS65769 [0,1,0,1,0,0|1,0,1]=4 2023 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 TS42442 [0,1,0,1,0,0|2,0,0]=4 2024 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 TS11822 [0,1,0,1,0,0|1,0,0]=3 2025 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O TS42280 [0,1,0,1,0,0|2,0,0]=4 2026 B13R2.430 c1cc(cc2c1cco2)C(=O)O TS11495 [0,1,0,1,0,0|1,0,0]=3 2027 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 TS19113 [0,1,0,1,0,0|2,0,0]=4 2028 B13R2.430 c1cc2c(cc1C(=O)Cl)CCO2 TS07694 [0,1,0,1,0,0|2,0,0]=4 2029 B13R2.430 c1cc2c(cc1C(=O)Cl)OCO2 TS15369 [0,1,0,1,0,0|1,0,0]=3 2030 B13R2.430 c1cc2c(cc1C(=O)Cl)non2 TS15062 [0,1,0,1,0,0|2,0,0]=4 2031 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 TS11998 [0,1,0,1,0,0|1,0,0]=3 2032 B13R2.430 c1cc2c(cc1C(=O)O)CCN2 TS42558 [0,1,0,1,0,0|2,0,0]=4 2033 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 TS47159 [0,1,0,1,0,0|1,0,0]=3 2034 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 TS90031 [0,1,0,1,0,0|2,0,0]=4 2035 B13R2.430 c1cc2c(cc1C(=O)O)NCC2 TS11708 [0,1,0,1,0,0|2,0,0]=4 2036 B13R2.430 c1cc2c(cc1C(=O)O)OCC2 TS11817 [0,1,0,1,0,0|1,0,0]=3 2037 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 TS12139 [0,1,0,1,0,0|0,0,0]=2 2038 B13R2.430 c1cc2c(cc1C(=O)O)[nH]cn2 TS94297 [0,1,0,1,0,0|2,0,0]=4 2039 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 TS71478 [0,1,0,1,0,0|2,0,0]=4 2040 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 TS01369 [0,1,0,1,0,0|1,1,0]=4 2041 B13R2.430 c1cc2c(cc1C(=O)O)nns2 TS47879 [0,1,0,1,0,0|1,1,0]=4 2042 B13R2.430 c1cc2c(cc1C(=O)O)non2 TS11799 [0,1,0,1,0,0|1,0,0]=3 2043 B13R2.430 c1cc2c(cc1C(=O)O)nsn2 TS39245 [0,1,0,1,0,0|1,1,0]=4 2044 B13R2.430 c1cc2c(cc1C(=O)O)scn2 TS00364 [0,1,0,1,0,0|1,1,0]=4 2045 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 TS39219 [0,1,0,1,0,0|1,1,0]=4 2046 B13R2.430 c1cc2c(cc1N(=O)=O)OCO2 TS33189 [0,1,0,1,0,0|1,0,1]=4 2047 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS01496 [0,1,0,1,0,0|2,0,0]=4 2048 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS94745 [0,1,0,1,0,0|2,0,0]=4 2049 B13R2.430 c1cc2c(cco2)cc1C(=O)Cl TS47996 [0,1,0,1,0,0|2,0,0]=4 2050 B13R2.430 c1cc2c(cco2)cc1C(=O)O TS01364 [0,1,0,1,0,0|1,0,0]=3 2051 B13R2.430 c1cc2c(ccs2)cc1C(=O)O TS00404 [0,1,0,1,0,0|1,1,0]=4 2052 B13R2.430 c1cc2cn[nH]c2cc1C(=O)O TS00447 [0,1,0,1,0,0|2,0,0]=4 2053 B13R2.11634 c1c2c(cc(c1F)O)C(=O)CC2 TS43015 [0,1,0,1,0,0|2,0,0]=4 2054 B13R2.5180 c1cc(c(c2c1C(=O)CO2)O)O TS12135 [0,1,0,1,0,0|0,0,0]=2 2055 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [1,0,0,0,1,0|2,0,0]=4 2056 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [1,0,0,0,1,0|2,0,0]=4 2057 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [1,0,0,0,1,0|2,0,0]=4 2058 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [1,0,0,0,1,0|2,0,0]=4 2059 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [1,0,0,0,1,0|2,0,0]=4 2060 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [1,0,0,0,1,0|2,0,0]=4 2061 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [1,0,0,0,1,0|2,0,0]=4 2062 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [1,0,0,0,1,0|2,0,0]=4 2063 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [1,0,0,0,1,0|2,0,0]=4 2064 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [1,0,0,0,1,0|2,0,0]=4 2065 B9R1.35 c1c(csc1C(=O)O)F TS09710 [1,0,0,0,1,0|2,0,0]=4 2066 B9R1.35 c1c(csc1C(=O)O)N TS14480 [1,0,0,0,1,0|2,0,0]=4 2067 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [1,0,0,0,1,0|2,0,0]=4 2068 B9R1.35 c1c(csc1F)C(=O)O TS87661 [1,0,0,0,1,0|2,0,0]=4 2069 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [1,0,0,0,1,0|2,0,0]=4 2070 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [1,0,0,0,1,0|2,0,0]=4 2071 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [1,0,0,0,1,0|2,0,0]=4 2072 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [1,0,0,0,1,0|2,0,0]=4 2073 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [1,0,0,0,1,0|2,0,0]=4 2074 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [1,0,0,0,1,0|2,0,0]=4 2075 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [1,0,0,0,1,0|2,0,0]=4 2076 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [1,0,0,0,1,0|2,0,0]=4 2077 B9R1.41 Cc1ccoc1C(=O)O TS70657 [1,0,0,0,1,0|2,0,0]=4 2078 B9R1.41 Cc1ccsc1C(=O)O TS70685 [1,0,0,0,1,0|2,0,0]=4 2079 B9R1.41 Cn1cccc1C(=O)O TS46984 [1,0,0,0,1,0|2,0,0]=4 2080 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [1,0,0,0,1,0|2,0,0]=4 2081 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [1,0,0,0,1,0|2,0,0]=4 2082 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [1,0,0,0,1,0|2,0,0]=4 2083 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [1,0,0,0,1,0|2,0,0]=4 2084 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [1,0,0,0,1,0|2,0,0]=4 2085 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [1,0,0,0,1,0|2,0,0]=4 2086 B9R1.41 c1csc(c1C(=O)O)F TS07162 [1,0,0,0,1,0|2,0,0]=4 2087 B9R1.41 c1csc(c1C(=O)O)N TS55051 [1,0,0,0,1,0|2,0,0]=4 2088 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [1,0,0,0,1,0|2,0,0]=4 2089 B9R1.41 c1csc(c1F)C(=O)O TS70577 [1,0,0,0,1,0|2,0,0]=4 2090 B9R1.41 c1csc(c1I)C(=O)O TS28552 [1,0,0,0,1,0|2,0,0]=4 2091 B9R1.41 c1csc(c1N)C(=O)O TS14481 [1,0,0,0,1,0|2,0,0]=4 2092 B9R1.41 c1csc(c1N)C(=O)O TS40071 [1,0,0,0,1,0|2,0,0]=4 2093 B9R1.41 c1csc(c1O)C(=O)O TS40161 [1,0,0,0,1,0|1,0,0]=3 2094 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [1,0,0,0,0,1|2,0,0]=4 2095 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [1,0,0,0,0,1|2,0,0]=4 2096 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [1,0,0,0,0,1|2,0,0]=4 2097 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [1,0,0,0,0,1|1,0,0]=3 2098 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [1,0,0,0,0,1|1,0,1]=4 2099 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [1,0,0,0,0,1|2,0,0]=4 2100 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [1,0,0,0,0,1|2,0,0]=4 2101 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [1,0,0,0,0,1|2,0,0]=4 2102 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [1,0,0,0,0,1|2,0,0]=4 2103 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [1,0,0,0,0,1|2,0,0]=4 2104 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [1,0,0,0,0,1|1,0,0]=3 2105 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [1,0,0,0,0,1|1,1,0]=4 2106 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [1,0,0,0,0,1|2,0,0]=4 2107 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [1,0,0,0,0,1|2,0,0]=4 2108 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [1,0,0,0,0,1|2,0,0]=4 2109 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [1,0,0,0,0,1|2,0,0]=4 2110 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [1,0,0,0,0,1|2,0,0]=4 2111 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [1,0,0,0,0,1|1,0,0]=3 2112 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [1,0,0,0,0,1|1,1,0]=4 2113 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [1,0,0,0,0,1|2,0,0]=4 2114 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [1,0,0,0,0,1|2,0,0]=4 2115 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [1,0,0,0,0,1|2,0,0]=4 2116 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [1,0,0,0,0,1|2,0,0]=4 2117 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [1,0,0,0,0,1|2,0,0]=4 2118 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [1,0,0,0,0,1|2,0,0]=4 2119 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [1,0,0,0,0,1|2,0,0]=4 2120 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [1,0,0,0,0,1|1,0,0]=3 2121 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [1,0,0,0,0,1|1,0,0]=3 2122 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [1,0,0,0,0,1|1,0,0]=3 2123 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [1,0,0,0,0,1|1,0,0]=3 2124 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [1,0,0,0,0,1|1,0,0]=3 2125 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [1,0,0,0,0,1|1,0,0]=3 2126 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [1,0,0,0,0,1|0,0,0]=2 2127 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [1,0,0,0,0,1|0,1,0]=3 2128 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [1,0,0,0,0,1|2,0,0]=4 2129 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [1,0,0,0,0,1|2,0,0]=4 2130 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [1,0,0,0,0,1|2,0,0]=4 2131 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [1,0,0,0,0,1|2,0,0]=4 2132 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [1,0,0,0,0,1|1,1,0]=4 2133 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [1,0,0,0,0,1|2,0,0]=4 2134 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [1,0,0,0,0,1|2,0,0]=4 2135 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [1,0,0,0,0,1|2,0,0]=4 2136 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [1,0,0,0,0,1|2,0,0]=4 2137 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [1,0,0,0,0,1|2,0,0]=4 2138 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [1,0,0,0,0,1|2,0,0]=4 2139 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [1,0,0,0,0,1|1,0,1]=4 2140 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [1,0,0,0,0,1|2,0,0]=4 2141 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [1,0,0,0,0,1|2,0,0]=4 2142 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [1,0,0,0,0,1|2,0,0]=4 2143 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [1,0,0,0,0,1|1,0,0]=3 2144 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [1,0,0,0,0,1|2,0,0]=4 2145 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [1,0,0,0,0,1|2,0,0]=4 2146 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [1,0,0,0,0,1|2,0,0]=4 2147 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [1,0,0,0,0,1|2,0,0]=4 2148 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [1,0,0,0,0,1|2,0,0]=4 2149 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [1,0,0,0,0,1|2,0,0]=4 2150 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [1,0,0,0,0,1|1,0,0]=3 2151 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [1,0,0,0,0,1|2,0,0]=4 2152 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [1,0,0,0,0,1|2,0,0]=4 2153 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [1,0,0,0,0,1|1,0,0]=3 2154 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [1,0,0,0,0,1|2,0,0]=4 2155 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [1,0,0,0,0,1|2,0,0]=4 2156 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [1,0,0,0,0,1|2,0,0]=4 2157 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [1,0,0,0,0,1|2,0,0]=4 2158 B11R1.157 Cc1cccc(n1)CC(=O)O TS10024 [1,0,0,0,0,1|2,0,0]=4 2159 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [1,0,0,0,0,1|2,0,0]=4 2160 B11R1.157 c1c(cncc1F)CC(=O)O TS88577 [1,0,0,0,0,1|2,0,0]=4 2161 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [1,0,0,0,0,1|1,0,0]=3 2162 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [1,0,0,0,0,1|2,0,0]=4 2163 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [1,0,0,0,0,1|1,0,0]=3 2164 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [1,0,0,0,0,1|2,0,0]=4 2165 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [1,0,0,0,0,1|2,0,0]=4 2166 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [1,0,0,0,0,1|1,0,0]=3 2167 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [1,0,0,0,0,1|1,0,0]=3 2168 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [1,0,0,0,0,1|1,0,0]=3 2169 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [1,0,0,0,0,1|2,0,0]=4 2170 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [1,0,0,0,0,1|2,0,0]=4 2171 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [1,0,0,0,0,1|0,0,0]=2 2172 B11R1.157 c1cc(cc(c1)O)NC(=S)N TS44894 [1,0,0,0,0,1|1,1,0]=4 2173 B11R1.157 c1cnc(cc1CC(=O)O)Br TS44775 [1,0,0,0,0,1|2,0,0]=4 2174 B11R1.157 c1cnc(cc1CC(=O)O)N TS10152 [1,0,0,0,0,1|2,0,0]=4 2175 B13R1.511 Cc1ccc(cc1C)CCC(=O)O TS14244 [0,0,0,0,0,2|2,0,0]=4 2176 B13R1.511 Cc1ccc(cc1C)OCC(=O)O TS14606 [0,0,0,0,0,2|2,0,0]=4 2177 B13R1.511 c1cc(c(cc1C=CC(=O)O)Br)F TS60334 [0,0,0,0,0,2|2,0,0]=4 2178 B13R1.511 c1cc(c(cc1C=CC(=O)O)Cl)Cl TS22170 [0,0,0,0,0,2|2,0,0]=4 2179 B13R1.511 c1cc(c(cc1C=CC(=O)O)Cl)F TS65498 [0,0,0,0,0,2|2,0,0]=4 2180 B13R1.511 c1cc(c(cc1C=CC(=O)O)F)Cl TS07780 [0,0,0,0,0,2|2,0,0]=4 2181 B13R1.511 c1cc(c(cc1C=CC(=O)O)F)F TS15238 [0,0,0,0,0,2|2,0,0]=4 2182 B13R1.511 c1cc(c(cc1C=CC(=O)O)O)O TS14547 [0,0,0,0,0,2|0,0,0]=2 2183 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl TS49549 [0,0,0,0,0,2|2,0,0]=4 2184 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F TS48847 [0,0,0,0,0,2|2,0,0]=4 2185 B13R1.511 c1cc(c(cc1CCC(=O)O)N)Br TS09410 [0,0,0,0,0,2|2,0,0]=4 2186 B13R1.511 c1cc(c(cc1CCC(=O)O)N)O TS48063 [0,0,0,0,0,2|1,0,0]=3 2187 B13R1.511 c1cc(c(cc1CCC(=O)O)O)O TS48226 [0,0,0,0,0,2|0,0,0]=2 2188 B13R1.511 c1cc(c(cc1NCC(=O)O)F)F TS15760 [0,0,0,0,0,2|2,0,0]=4