0 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.28 CNCCCc1ccccc1 AB10671 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.45 CN(C)CCC(c1ccccc1)O AB03278 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.149 c1cc(cc(c1)Cl)OCCC(=O)O AB03979 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Br AB52820 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.158 c1ccc(c(c1)NCCC(=O)O)I AB44265 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.351 C[C@H](C(=O)[O-])\N=C/c1ccccc1 AB72141 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.351 c1cc(cnc1)CCC(C(=O)O)N AB21175 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.351 c1cc(cnc1)CC[C@@H](C(=O)O)N AB34696 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.351 c1cc(cnc1)CC[C@H](C(=O)O)N AB34692 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N AB02512 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N AB00246 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.351 c1ccnc(c1)CCC(C(=O)O)N AB34675 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.351 c1ccnc(c1)CC[C@@H](C(=O)O)N AB34679 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.351 c1ccnc(c1)CC[C@H](C(=O)O)N AB34678 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.351 c1cnccc1CCC(C(=O)O)N AB34710 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.351 c1cnccc1CC[C@@H](C(=O)O)N AB34714 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.351 c1cnccc1CC[C@H](C(=O)O)N AB34713 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.513 c1cc(ccc1CCCC(=O)O)Br MB01227 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.513 c1cc(ccc1NCCC(=O)O)Br AB51540 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.513 c1cc(ccc1NCCC(=O)O)Cl AB07378 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.513 c1cc(ccc1NCCC(=O)O)I AB52822 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.718 COC(=O)COCc1ccccc1 AB63738 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.718 COC(=O)NCCc1ccccc1 AB09088 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.718 c1ccc(cc1)CONC(=O)CN AB24869 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.3523 CC(C)(COCc1ccccc1)O AB84932 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.3523 c1ccc(cc1)CCCS(=O)(=O)Cl AB28174 [0,1,0,0,0,0|1,0,1]=3 38 B13R2.10 c1ccc(cc1)C2=NC(=NC2)O AB53088 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [0,0,0,1,0,0|2,0,0]=3 40 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,0,0,1,0,0|1,0,0]=2 41 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [0,0,0,1,0,0|2,1,0]=4 42 B13R2.31 c1ccc(cc1)CN2CC(C2)O PB10180 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.72 CC(=O)C1=c2ccccc2=NC1 AB00460 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O AB16477 [0,0,0,1,0,0|1,0,0]=2 45 B13R2.72 c1ccc2c(c1)C(CO2)C(=O)O AB45862 [0,0,0,1,0,0|1,0,0]=2 46 B13R2.72 c1ccc2c(c1)CCC2C(=O)O AB01304 [0,0,0,1,0,0|0,0,0]=1 47 B13R2.72 c1ccc2c(c1)CNC2C(=O)O AB08706 [0,0,0,1,0,0|1,0,0]=2 48 B13R2.72 c1ccc2c(c1)c(co2)C(=O)O AB07951 [0,0,0,1,0,0|1,0,2]=4 49 B13R2.72 c1ccc2c(c1)c(no2)C(=O)O AB26306 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.72 c1ccc2c(c1)c(ns2)C(=O)O AB09662 [0,0,0,1,0,0|2,0,1]=4 51 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.423 B(C1CC1c2ccccc2)(O)O AB14743 [0,0,0,1,0,0|1,0,1]=3 54 B13R2.423 B([C@@H]1C[C@H]1c2cccnc2)(O)O AB74136 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.423 B([C@H]1C[C@@H]1c2ccccc2)(O)O AB29955 [0,0,0,1,0,0|1,0,1]=3 56 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,0,0,0,1,0|1,0,1]=3 57 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,1,0|3,0,0]=4 58 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,1,0|1,0,2]=4 59 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.91 c1cnc(nc1)NCC(=O)O AB12962 [0,0,0,0,1,0|3,0,0]=4 61 B11R1.172 CC(=O)NCCn1cccc1 AB04419 [0,0,0,0,1,0|3,0,0]=4 62 B11R1.172 c1ncn(n1)CCCC(=O)O AB30009 [0,0,0,0,1,0|3,0,0]=4 63 B13R1.337 c1ccc(cc1)NCCCC(=O)O AB55233 [0,0,0,0,0,1|0,0,0]=1 64 B10R1.17 c1c(cncn1)CCC=O AB57646 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 c1cc(cnc1)CCC=O AB57626 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.17 c1cc(cnc1)CCCN AB54556 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.17 c1ccc(cc1)CCC=O AB00823 [2,0,0,0,0,0|0,0,0]=2 68 B10R1.17 c1ccc(cc1)CCCN AB00940 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.17 c1ccnc(c1)CCC=O AB57635 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.17 c1ccnc(c1)CCCN AB30458 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.17 c1ccnc(c1)CCCO PB12987 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.17 c1cnc(cn1)CCC=O AB57652 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 c1cnc(nc1)CCC=O AB57644 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 c1cnccc1CCC=O AB49299 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.17 c1cnccc1CCCN AB43583 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 c1cncnc1CCC=O AB57649 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.8 c1ccc(cc1)CCCCCN AB07613 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.8 c1ccc(cc1)COCCCN AB30616 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.28 CNCCCc1cccc(c1)F AB38769 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.30 CNCCC(c1ccccc1)O AB06932 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.267 CNCCCc1ccccc1Br AB38782 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.267 CNCCCc1ccccc1Cl AB38777 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.267 CNCCCc1ccccc1F AB38765 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.267 Cc1ccccc1CCCNC AB38758 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,1,0,0,1,0|0,0,0]=2 100 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.21 c1c(ncc(n1)Cl)CCC(=O)O AB69916 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,1,0,0,1,0|0,0,0]=2 103 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,1,0,0,1,0|0,0,0]=2 104 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,1,0,0,1,0|0,0,0]=2 105 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,1,0,0,1,0|0,0,0]=2 106 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,1,0,0,1,0|0,0,0]=2 107 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,1,0,0,1,0|0,0,2]=4 109 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,1,0,0,1,0|0,0,2]=4 110 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,1,0,0,1,0|0,0,2]=4 111 B12R1.43 c1cc(cnc1)CC(C(=O)O)N AB11720 [0,1,0,0,1,0|1,0,0]=3 112 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N AB03059 [0,1,0,0,1,0|1,0,0]=3 113 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB03057 [0,1,0,0,1,0|1,0,0]=3 114 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB13745 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,1,0,0,1,0|0,0,0]=2 116 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,1,0,0,1,0|0,0,0]=2 117 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,1,0,0,1,0|0,0,0]=2 118 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,1,0,0,1,0|0,0,0]=2 119 B12R1.43 c1ccnc(c1)CC(C(=O)O)N AB05436 [0,1,0,0,1,0|1,0,0]=3 120 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N AB05414 [0,1,0,0,1,0|1,0,0]=3 121 B12R1.43 c1cnccc1CC(C(=O)O)N AB21677 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.43 c1cnccc1C[C@H](C(=O)O)N AB10088 [0,1,0,0,1,0|1,0,0]=3 123 B12R1.107 c1cc(cnc1)C(CC(=O)O)N AB09204 [0,1,0,0,1,0|1,0,0]=3 124 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N AB17754 [0,1,0,0,1,0|1,0,0]=3 125 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N AB17820 [0,1,0,0,1,0|1,0,0]=3 126 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,1,0,0,1,0|0,0,0]=2 127 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,1,0,0,1,0|0,0,0]=2 128 B12R1.107 c1ccnc(c1)C(CC(=O)O)N AB23245 [0,1,0,0,1,0|1,0,0]=3 129 B12R1.107 c1ccnc(c1)[C@@H](CC(=O)O)N AB29680 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.107 c1ccnc(c1)[C@H](CC(=O)O)N AB29681 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.107 c1cnccc1C(CC(=O)O)N AB09530 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.107 c1cnccc1[C@@H](CC(=O)O)N AB36081 [0,1,0,0,1,0|1,0,0]=3 133 B12R1.107 c1cnccc1[C@H](CC(=O)O)N AB17832 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,1,0,0,1,0|0,0,0]=2 135 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,1,0,0,1,0|0,0,0]=2 136 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,1,0,0,1,0|0,0,0]=2 137 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,1,0,0,1,0|0,0,0]=2 138 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,1,0,0,1,0|0,0,0]=2 139 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,1,0,0,1,0|2,0,0]=4 140 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,1,0,0,1,0|2,0,0]=4 142 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,1,0,0,1,0|0,0,0]=2 143 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,1,0,0,1,0|0,0,1]=3 144 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,1,0,0,1,0|0,0,0]=2 147 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,1,0,0,1,0|0,0,0]=2 148 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,1,0,0,1,0|1,0,0]=3 149 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,0,0,1,0|0,0,2]=4 150 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,1,0,0,1,0|0,0,0]=2 151 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl AB20716 [0,1,0,0,1,0|1,0,1]=4 152 B14R1.148 c1cc(cc(c1)Cl)OCCCC(=O)O AB18091 [0,1,0,0,0,1|0,0,0]=2 153 B14R1.818 c1ccc(cc1)CCC(CC(=O)O)N AB08760 [0,1,0,0,0,1|0,0,0]=2 154 B14R1.6449 c1ccc(cc1)CCC[C@H](C(=O)O)N AB16792 [0,1,0,0,0,1|0,0,0]=2 155 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 AB02521 [0,2,0,0,0,0|1,0,1]=4 156 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)Br AB01200 [0,2,0,0,0,0|0,0,1]=3 157 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)F AB00270 [0,2,0,0,0,0|0,0,1]=3 158 B14R1.678 c1cc(ccc1C(=O)NCC(=O)O)Cl AB01274 [0,2,0,0,0,0|1,0,1]=4 159 B14R1.5956 Cc1cccc(c1)CCC(C(=O)O)N AB33758 [0,2,0,0,0,0|0,0,0]=2 160 B14R1.5956 Cc1cccc(c1)CC[C@@H](C(=O)O)N AB33764 [0,2,0,0,0,0|0,0,0]=2 161 B14R1.5956 Cc1cccc(c1)CC[C@H](C(=O)O)N AB33761 [0,2,0,0,0,0|0,0,0]=2 162 B14R1.5956 c1cc(cc(c1)Br)CCC(C(=O)O)N AB33961 [0,2,0,0,0,0|0,0,0]=2 163 B14R1.5956 c1cc(cc(c1)Br)CC[C@@H](C(=O)O)N AB33964 [0,2,0,0,0,0|0,0,0]=2 164 B14R1.5956 c1cc(cc(c1)Br)CC[C@H](C(=O)O)N AB33963 [0,2,0,0,0,0|0,0,0]=2 165 B14R1.5956 c1cc(cc(c1)Cl)CCC(C(=O)O)N AB33907 [0,2,0,0,0,0|0,0,0]=2 166 B14R1.5956 c1cc(cc(c1)Cl)CC[C@@H](C(=O)O)N AB33910 [0,2,0,0,0,0|0,0,0]=2 167 B14R1.5956 c1cc(cc(c1)Cl)CC[C@H](C(=O)O)N AB33908 [0,2,0,0,0,0|0,0,0]=2 168 B14R1.5956 c1cc(cc(c1)F)CCC(C(=O)O)N AB33866 [0,2,0,0,0,0|0,0,0]=2 169 B14R1.5956 c1cc(cc(c1)F)CC[C@@H](C(=O)O)N AB33870 [0,2,0,0,0,0|0,0,0]=2 170 B14R1.5956 c1cc(cc(c1)F)CC[C@H](C(=O)O)N AB33867 [0,2,0,0,0,0|0,0,0]=2 171 B14R1.5956 c1cc(cc(c1)O)CCC(C(=O)O)N AB34006 [0,2,0,0,0,0|0,0,0]=2 172 B14R1.5956 c1cc(cc(c1)O)CC[C@@H](C(=O)O)N AB34011 [0,2,0,0,0,0|0,0,0]=2 173 B14R1.5956 c1cc(cc(c1)O)CC[C@H](C(=O)O)N AB34008 [0,2,0,0,0,0|0,0,0]=2 174 B14R1.161 Cc1ccccc1CCC(C(=O)O)N AB33742 [0,2,0,0,0,0|0,0,0]=2 175 B14R1.161 Cc1ccccc1CC[C@@H](C(=O)O)N AB33748 [0,2,0,0,0,0|0,0,0]=2 176 B14R1.161 Cc1ccccc1CC[C@H](C(=O)O)N AB33744 [0,2,0,0,0,0|0,0,0]=2 177 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)Br AB33943 [0,2,0,0,0,0|0,0,0]=2 178 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)Cl AB33890 [0,2,0,0,0,0|0,0,0]=2 179 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)F AB33850 [0,2,0,0,0,0|0,0,0]=2 180 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)O AB33992 [0,2,0,0,0,0|0,0,0]=2 181 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)Br AB33947 [0,2,0,0,0,0|0,0,0]=2 182 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)Cl AB33895 [0,2,0,0,0,0|0,0,0]=2 183 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)F AB33854 [0,2,0,0,0,0|0,0,0]=2 184 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)O AB33996 [0,2,0,0,0,0|0,0,0]=2 185 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)Br AB33944 [0,2,0,0,0,0|0,0,0]=2 186 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)Cl AB33893 [0,2,0,0,0,0|0,0,0]=2 187 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)F AB33853 [0,2,0,0,0,0|0,0,0]=2 188 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)O AB33993 [0,2,0,0,0,0|0,0,0]=2 189 B14R1.4464 c1cc(c(cc1Br)Br)OCCC(=O)O AB49596 [0,2,0,0,0,0|1,0,0]=3 190 B14R1.425 c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N MB02945 [0,2,0,0,0,0|0,0,0]=2 191 B14R1.425 c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N MB00533 [0,2,0,0,0,0|0,0,0]=2 192 B14R1.433 c1ccc(cc1)C[C@@H](CS(=O)(=O)O)N CB11640 [0,2,0,0,0,0|1,0,0]=3 193 B14R1.679 Cc1ccc(cc1)CCC(C(=O)O)N AB33782 [0,2,0,0,0,0|0,0,0]=2 194 B14R1.679 Cc1ccc(cc1)CC[C@@H](C(=O)O)N AB33785 [0,2,0,0,0,0|0,0,0]=2 195 B14R1.679 Cc1ccc(cc1)CC[C@H](C(=O)O)N AB33784 [0,2,0,0,0,0|0,0,0]=2 196 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)Br AB33978 [0,2,0,0,0,0|0,0,0]=2 197 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)Cl AB33922 [0,2,0,0,0,0|0,0,0]=2 198 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)F AB33879 [0,2,0,0,0,0|0,0,0]=2 199 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)O AB14703 [0,2,0,0,0,0|0,0,0]=2 200 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)Br AB33982 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)Cl AB33926 [0,2,0,0,0,0|0,0,0]=2 202 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)F AB33883 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O AB15550 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)Br AB33980 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)Cl AB33924 [0,2,0,0,0,0|0,0,0]=2 206 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)F AB33880 [0,2,0,0,0,0|0,0,0]=2 207 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)O AB34025 [0,2,0,0,0,0|0,0,0]=2 208 B14R1.756 CC(C(=O)OC)NCc1ccccc1 AB66346 [0,2,0,0,0,0|1,0,0]=3 209 B14R1.520 CCOC(=O)C\N=C\c1ccccc1 AB04772 [0,2,0,0,0,0|1,0,1]=4 210 B12R2.1 CNC1CCc2c1cccc2 AB49601 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [1,0,0,1,0,0|1,0,1]=4 213 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [1,0,0,1,0,0|0,0,1]=3 215 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.41 c1ccc2c(c1)CCCCN2 AB05634 [1,0,0,1,0,0|1,0,1]=4 220 B12R2.41 c1ccc2c(c1)CCCNC2 AB49623 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.1081 c1c2c(ncn1)CCCC2=O AB49635 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [1,0,0,1,0,0|1,0,0]=3 223 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [1,0,0,1,0,0|1,0,0]=3 226 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [1,0,0,1,0,0|1,0,0]=3 229 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [1,0,0,1,0,0|1,0,0]=3 230 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [1,0,0,1,0,0|1,0,1]=4 232 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [1,0,0,1,0,0|1,0,1]=4 233 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [1,0,0,1,0,0|1,0,0]=3 234 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [1,0,0,1,0,0|1,0,0]=3 235 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [1,0,0,1,0,0|1,0,0]=3 236 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [1,0,0,1,0,0|1,0,0]=3 237 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [1,0,0,1,0,0|1,0,1]=4 238 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [1,0,0,1,0,0|1,0,0]=3 239 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [1,0,0,1,0,0|2,0,0]=4 240 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [1,0,0,1,0,0|1,0,0]=3 241 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [1,0,0,1,0,0|2,0,0]=4 243 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,1,1,0|1,0,0]=3 244 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,1,1,0|1,0,0]=3 245 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,1,0|2,0,0]=4 246 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,1,1,0|2,0,0]=4 247 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,1,0|2,0,0]=4 248 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,1,0|2,0,0]=4 249 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,1,0|2,0,0]=4 250 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,0,0,1,1,0|2,0,0]=4 251 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [0,0,0,1,1,0|2,0,0]=4 252 B14R2.2 c1ccc2c(c1)cnn2CC(=O)O AB12761 [0,0,0,1,0,1|1,0,1]=4 253 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 PB19844 [0,0,0,1,0,1|1,0,0]=3 254 B14R2.19 c1ccc(cc1)CN2CCC(C2)O AB01084 [0,0,0,1,0,1|1,0,1]=4 255 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)O AB02885 [0,0,0,1,0,1|1,0,1]=4 256 B14R2.19 c1ccc(cc1)CN2CC[C@H](C2)O AB02881 [0,0,0,1,0,1|1,0,1]=4 257 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 AB04809 [0,0,0,1,0,1|1,0,0]=3 258 B14R2.21 c1ccc(cc1)C2CNCC(=O)N2 AB37355 [0,0,0,1,0,1|1,0,0]=3 259 B14R2.21 c1ccc(cc1)C2CNCC(=O)O2 AB72680 [0,0,0,1,0,1|0,0,0]=2 260 B14R2.21 c1ccc(cc1)C2COCC(=O)N2 AB72681 [0,0,0,1,0,1|1,0,0]=3 261 B14R2.21 c1ccc(cc1)[C@@H]2CNCC(=O)N2 AB37361 [0,0,0,1,0,1|1,0,0]=3 262 B14R2.21 c1ccc(cc1)[C@H]2CNCC(=O)N2 AB37359 [0,0,0,1,0,1|1,0,0]=3 263 B14R2.391 c1ccc2c(c1)CCCCC(=O)N2 AB01426 [0,0,0,1,0,1|1,0,0]=3 264 B14R2.436 c1ccc(cc1)COC2CC(=O)C2 PB10694 [0,0,0,1,0,1|1,0,0]=3 265 B14R2.436 c1ccc(cc1)COC2CC(C2)O PB36158 [0,0,0,1,0,1|1,0,1]=4 266 B14R2.31359 c1ccc2c(c1)CCCC2C(=O)O AB11024 [0,0,0,1,0,1|0,0,0]=2 267 B14R2.31359 c1ccc2c(c1)CCCC2C(=S)N AB11061 [0,0,0,1,0,1|1,1,0]=4 268 B14R2.31359 c1ccc2c(c1)CCNC2C(=O)O AB08729 [0,0,0,1,0,1|0,0,0]=2 269 B14R2.31359 c1ccc2c(c1)CCN[C@@H]2C(=O)O AB14831 [0,0,0,1,0,1|0,0,0]=2 270 B14R2.31359 c1ccc2c(c1)CCN[C@H]2C(=O)O AB14827 [0,0,0,1,0,1|0,0,0]=2 271 B14R2.68 c1ccc(cc1)C2CNC(=O)CN2 AB37265 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.68 c1ccc(cc1)C2CNC(=O)CO2 AB42561 [0,1,0,1,0,0|1,0,0]=3 273 B14R2.68 c1ccc(cc1)N2CCC(=O)CC2 AB31242 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.68 c1ccc(cc1)[C@@H]2CNC(=O)CN2 AB37270 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 MB01107 [0,1,0,1,0,0|1,0,0]=3 276 B14R2.68 c1ccc(cc1)[C@H]2CNC(=O)CN2 AB37268 [0,1,0,1,0,0|2,0,0]=4 277 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 AB05536 [0,1,0,1,0,0|1,0,0]=3 278 B14R2.287 c1ccc2c(c1)C(=O)CCC(=O)N2 PB30721 [0,1,0,1,0,0|1,0,1]=4 279 B14R2.287 c1ccc2c(c1)C(CCC(=O)N2)N AB62341 [0,1,0,1,0,0|1,0,0]=3 280 B14R2.300 CC(=O)N1CCc2c1ccc(c2)Br AB02296 [0,1,0,1,0,0|2,0,0]=4 281 B14R2.300 CC(=O)N1CCc2c1ccc(c2)I MB00317 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.300 c1cc2c(cc1Cl)CCC2C(=O)O AB60830 [0,1,0,1,0,0|0,0,0]=2 283 B14R2.4476 B([C@@H]1C[C@H]1c2cccc(c2)Cl)(O)O AB74152 [0,1,0,1,0,0|1,0,1]=4 284 B14R2.4476 B([C@@H]1C[C@H]1c2cccc(c2)F)(O)O AB74150 [0,1,0,1,0,0|1,0,1]=4 285 B14R2.7974 c1cc2c(cc1N)CCCC(=O)N2 PB29619 [0,1,0,1,0,0|1,0,0]=3 286 B14R2.768 CC(=O)OC1Cc2ccccc2C1 AB66196 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.768 c1ccc2c(c1)CC(=CC(=O)O)C2 AB18149 [0,1,0,1,0,0|0,0,2]=4 288 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O AB03118 [0,1,0,1,0,0|0,0,0]=2 289 B14R2.768 c1ccc2c(c1)cn(n2)CC(=O)O AB28369 [0,1,0,1,0,0|1,0,1]=4 290 B14R2.768 c1ccc2c(c1)nc(o2)CC(=O)O AB20838 [0,1,0,1,0,0|1,0,1]=4 291 B14R2.768 c1ccc2c(c1)nc(s2)CC(=O)O AB06316 [0,1,0,1,0,0|1,0,1]=4 292 B14R2.781 CC(=O)C1COc2ccccc2O1 MB01186 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.781 c1ccc2c(c1)C=C(CO2)C(=O)O AB04721 [0,1,0,1,0,0|1,0,1]=4 294 B14R2.781 c1ccc2c(c1)CC(CN2)C(=O)O AB28363 [0,1,0,1,0,0|1,0,0]=3 295 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O AB15875 [0,1,0,1,0,0|1,0,0]=3 296 B14R2.781 c1ccc2c(c1)CC(NC2)C(=O)O AB24953 [0,1,0,1,0,0|1,0,0]=3 297 B14R2.781 c1ccc2c(c1)CCC(C2)C(=O)N AB72029 [0,1,0,1,0,0|1,0,0]=3 298 B14R2.781 c1ccc2c(c1)CCC(N2)C(=O)O AB10523 [0,1,0,1,0,0|0,0,0]=2 299 B14R2.781 c1ccc2c(c1)CCC(O2)C(=O)O AB01988 [0,1,0,1,0,0|0,0,0]=2 300 B14R2.781 c1ccc2c(c1)CC[C@@H](N2)C(=O)O AB19849 [0,1,0,1,0,0|0,0,0]=2 301 B14R2.781 c1ccc2c(c1)CC[C@H](N2)C(=O)O AB17671 [0,1,0,1,0,0|0,0,0]=2 302 B14R2.781 c1ccc2c(c1)C[C@@H](CO2)C(=O)O AB56516 [0,1,0,1,0,0|1,0,0]=3 303 B14R2.781 c1ccc2c(c1)C[C@H](CO2)C(=O)O AB56534 [0,1,0,1,0,0|1,0,0]=3 304 B14R2.781 c1ccc2c(c1)NC(CO2)C(=O)O AB27563 [0,1,0,1,0,0|1,0,0]=3 305 B14R2.598 c1ccc(cc1)C2C(=O)NC(=O)O2 AB02795 [0,1,0,1,0,0|1,0,1]=4 306 B14R2.741 c1ccc2c(c1)CCC(C(=O)N2)N AB11692 [0,1,0,1,0,0|1,0,0]=3 307 B14R2.9535 c1ccc2c(c1)CCC2(C(=O)O)N AB07290 [0,1,0,1,0,0|0,0,0]=2 308 B14R2.9535 c1ccc2c(c1)CC[C@@]2(C(=O)O)N AB33347 [0,1,0,1,0,0|0,0,0]=2 309 B14R2.9535 c1ccc2c(c1)CC[C@]2(C(=O)O)N AB33343 [0,1,0,1,0,0|0,0,0]=2 310 B14R2.20 Cc1ccc(cc1)C2CCC(=O)C2 AB26347 [0,1,0,1,0,0|1,0,0]=3 311 B14R2.20 c1cc(ccc1C2CCC(=O)C2)Br AB26346 [0,1,0,1,0,0|1,0,0]=3 312 B14R2.20 c1cc(ccc1C2CCC(=O)C2)Cl AB26349 [0,1,0,1,0,0|1,0,0]=3 313 B14R2.20 c1cc(ccc1C2CCC(=O)C2)F AB26352 [0,1,0,1,0,0|1,0,0]=3 314 B14R2.20 c1cc(ccc1C2CCC(=O)N2)Cl CB11852 [0,1,0,1,0,0|1,0,0]=3 315 B14R2.380 c1cc2c(cc1N)NC(=O)CCC2 PB20088 [0,1,0,1,0,0|1,0,0]=3 316 B14R2.4402 B([C@@H]1C[C@H]1c2ccc(cc2)F)(O)O AB74149 [0,1,0,1,0,0|1,0,1]=4 317 B14R2.5816 c1cc2c(cc1Br)C(CC2)C(=O)O AB60826 [0,1,0,1,0,0|0,0,0]=2 318 B14R2.5816 c1cc2c(cc1Br)C(CO2)C(=O)O AB56754 [0,1,0,1,0,0|1,0,0]=3 319 B14R2.5816 c1cc2c(cc1Cl)C(CO2)C(=O)O AB56758 [0,1,0,1,0,0|1,0,0]=3 320 B14R2.5816 c1cc2c(cc1F)C(CO2)C(=O)O AB56750 [0,1,0,1,0,0|1,0,0]=3 321 B14R2.95 COC(=O)C1CCc2c1cccc2 AB07839 [0,1,0,1,0,0|0,0,0]=2 322 B14R2.3459 c1ccc2c(c1)CCCC2(CN)O AB11059 [0,1,0,1,0,0|1,0,1]=4 323 B14R2.3459 c1ccc2c(c1)CCCC2(CN)O AB31029 [0,1,0,1,0,0|1,0,1]=4 324 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 PB32127 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,2,0|1,0,1]=4 326 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,2,0|2,0,0]=4 327 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,2,0|2,0,0]=4 328 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,2,0|2,0,0]=4 329 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,0,0,0,2,0|2,0,0]=4 330 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,2,0|1,0,0]=3 331 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,0,0,0,2,0|2,0,0]=4 332 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,2,0|2,0,0]=4 333 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,2,0|2,0,0]=4 334 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,0,0,0,2,0|2,0,0]=4 335 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,0,0,0,2,0|2,0,0]=4 336 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,0,0,0,2,0|2,0,0]=4 337 B10R1.66 C1C=CN=C1CCC(=O)O CB11077 [0,0,0,0,2,0|1,0,1]=4 338 B10R1.66 c1cn(cn1)CCC(=O)O AB12684 [0,0,0,0,2,0|2,0,0]=4