0 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 c1c(ncc(n1)Cl)CCC(=O)O AB69916 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.21 c1cc(ccc1CNC(=N)N)N AB48587 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.1 c1c(cnc(n1)Cl)CCC=O AB69266 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,0,0,0,0,0|0,0,0]=1 31 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.1 c1cc(nnc1CCC=O)Cl AB69267 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,0,0,0,0|0,0,2]=3 42 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.3 CC(=O)COc1ccc(cc1)C#N AB26115 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.3 CC(=O)OCc1ccc(nc1)C#N AB49314 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.3 c1cc(ccc1CCC(=O)O)C#N MB05759 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.3 c1cc(ccc1CO)OCC(=O)O AB02325 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.3 c1cc(ccc1CO)\C=C\C(=O)O MB04671 [0,1,0,0,0,0|1,0,2]=4 52 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,1,0,0,0,0|1,0,2]=4 54 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N AB10334 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AB16419 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br AB04471 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl AB03524 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.132 c1cc(ccc1C(CC(=O)O)N)O AB04424 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br AB16414 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AB16416 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F AB16447 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Br AB16442 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)F AB16446 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)O AB17825 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br AB00237 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl AB00241 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F AB00239 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br AB02494 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl AB02502 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O AB00245 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl AB03058 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F AB02498 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O AB02505 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl AB01193 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F AB07245 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.512 CC(C)(CCc1ccc(cc1)Cl)N AB68859 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.512 CC(C)(CCc1ccc(cc1)F)N AB68856 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.512 c1cc(ccc1CCS(=O)(=O)Cl)Br AB69816 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.512 c1cc(ccc1CCS(=O)(=O)Cl)Cl AB20714 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.512 c1cc(ccc1CCS(=O)(=O)Cl)F AB20717 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [0,0,0,1,0,0|1,0,0]=2 85 B13R2.155 CN1CCc2ccc(cc2C1)N PB19216 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.155 Cc1cc2c(cn1)CNC(=O)C2 AB77276 [0,0,0,1,0,0|3,0,0]=4 87 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [0,0,0,1,0,0|2,0,0]=3 88 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.155 Cc1ccc2c(n1)CC(=O)NC2 AB77215 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.155 Cc1ccc2c(n1)NC(=O)CC2 AB70359 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.155 c1c(cnc2c1CC(=O)CC2)Br AB69367 [0,0,0,1,0,0|2,0,0]=3 93 B13R2.155 c1c(cnc2c1CC(=O)CC2)Cl AB61013 [0,0,0,1,0,0|2,0,0]=3 94 B13R2.155 c1c(cnc2c1CC(=O)CC2)F AB68743 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.155 c1c2c(cnc1Br)CNC(=O)C2 AB77278 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.155 c1c2c(cnc1Cl)CNC(=O)C2 AB77277 [0,0,0,1,0,0|3,0,0]=4 97 B13R2.155 c1c2c(nc(n1)Cl)CC(=O)CC2 AB61064 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.155 c1c2c(nc(n1)N)CC(=O)CC2 AB61066 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [0,0,0,1,0,0|1,0,2]=4 100 B13R2.155 c1cc(nc2c1CNC(=O)C2)Br AB77208 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.155 c1cc(nc2c1CNC(=O)C2)Cl AB77210 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [0,0,0,1,0,0|1,0,0]=2 103 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,0,0,1,0,0|2,0,0]=3 104 B13R2.155 c1cc2c(cc1Br)CC(CC2)N AB28750 [0,0,0,1,0,0|2,0,1]=4 105 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [0,0,0,1,0,0|1,0,0]=2 107 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,0,0,1,0,0|2,0,0]=3 108 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N AB28745 [0,0,0,1,0,0|2,0,1]=4 109 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,0,0,1,0,0|1,0,0]=2 111 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,0,0,1,0,0|2,0,0]=3 112 B13R2.155 c1cc2c(cc1F)CC(CC2)N AB28755 [0,0,0,1,0,0|2,0,1]=4 113 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [0,0,0,1,0,0|3,0,0]=4 114 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [0,0,0,1,0,0|1,0,0]=2 116 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [0,0,0,1,0,0|2,0,0]=3 117 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [0,0,0,1,0,0|0,0,0]=1 118 B13R2.155 c1cc2c(cc1O)CC(CC2)N AB28767 [0,0,0,1,0,0|1,0,1]=3 119 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [0,0,0,1,0,0|1,0,0]=2 120 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [0,0,0,1,0,0|2,0,0]=3 121 B11R1.20 CC(=O)Nc1ccc(cn1)I AB08522 [0,0,0,0,1,0|3,0,0]=4 122 B11R1.20 CC(=O)Nc1ccc(cn1)N AB04216 [0,0,0,0,1,0|3,0,0]=4 123 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,0,0,0,1,0|2,0,1]=4 126 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,0,0,0,1,0|2,0,1]=4 127 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,0,0,0,1,0|2,0,1]=4 128 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,0,0,0,1,0|2,0,1]=4 131 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,0,0,0,1,0|2,0,1]=4 132 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,0,0,0,1,0|2,0,1]=4 133 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,0,0,0,1,0|2,0,1]=4 134 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,0,0,0,1,0|2,0,1]=4 136 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,0,0,0,1,0|3,0,0]=4 139 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,0,0,0,1,0|3,0,0]=4 140 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,0,0,0,1,0|2,0,0]=3 142 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,0,0,0,1,0|3,0,0]=4 143 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,0,0,0,1,0|3,0,0]=4 144 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,0,0,0,1,0|3,0,0]=4 148 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [0,0,0,0,0,1|0,0,0]=1 149 B13R1.513 c1cc(ccc1CCCC(=O)O)Br MB01227 [0,0,0,0,0,1|2,0,0]=3 150 B13R1.513 c1cc(ccc1NCCC(=O)O)Br AB51540 [0,0,0,0,0,1|2,0,0]=3 151 B13R1.513 c1cc(ccc1NCCC(=O)O)Cl AB07378 [0,0,0,0,0,1|2,0,0]=3 152 B13R1.513 c1cc(ccc1NCCC(=O)O)I AB52822 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.1 c1cc(ccc1CC=O)F AB11805 [2,0,0,0,0,0|1,0,0]=3 157 B10R1.1 c1cc(ccc1CC=O)N AB27688 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.1 c1cc(ccc1CCBr)N MB02970 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.1 c1cc(ccc1CCN)Br AB00934 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.1 c1cc(ccc1CCN)F AB03730 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.1 c1cc(ccc1CCN)N AB00936 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.1 c1cc(ccc1CCO)Br AB00280 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.1 c1cc(ncc1O)CCN AB67805 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.17 CNCCc1cccnc1 AB10676 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.17 CNCCc1ccncc1 AB02055 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.17 c1c(cncn1)CCC=O AB57646 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.17 c1cc(cnc1)CCC=O AB57626 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.17 c1ccc(cc1)CCC=O AB00823 [2,0,0,0,0,0|0,0,0]=2 170 B10R1.17 c1ccc(cc1)CCCN AB00940 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.17 c1ccnc(c1)CCC=O AB57635 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.17 c1cnc(cn1)CCC=O AB57652 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.17 c1cnc(nc1)CCC=O AB57644 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.17 c1cnccc1CCC=O AB49299 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.17 c1cncnc1CCC=O AB57649 [2,0,0,0,0,0|2,0,0]=4 176 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.1 COCCOc1ccc(cc1)O AB19320 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [1,1,0,0,0,0|0,0,1]=3 184 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.71 CNCCc1ccc(cn1)OC AB73196 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [1,1,0,0,0,0|0,0,0]=2 188 B12R1.71 COc1ccc(cc1)CCCN AB07604 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.71 COc1ccc(cc1)CCCO AB00287 [1,1,0,0,0,0|0,0,2]=4 190 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.43 c1cc(cnc1)CC(C(=O)O)N AB11720 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N AB03059 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB03057 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB13745 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.43 c1ccnc(c1)CC(C(=O)O)N AB05436 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N AB05414 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.43 c1cnccc1CC(C(=O)O)N AB21677 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.43 c1cnccc1C[C@H](C(=O)O)N AB10088 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.107 c1cc(cnc1)C(CC(=O)O)N AB09204 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N AB17754 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N AB17820 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.107 c1ccnc(c1)C(CC(=O)O)N AB23245 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.107 c1ccnc(c1)[C@@H](CC(=O)O)N AB29680 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.107 c1ccnc(c1)[C@H](CC(=O)O)N AB29681 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.107 c1cnccc1C(CC(=O)O)N AB09530 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.107 c1cnccc1[C@@H](CC(=O)O)N AB36081 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.107 c1cnccc1[C@H](CC(=O)O)N AB17832 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [1,1,0,0,0,0|1,0,0]=3 218 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.226 CC(=O)NCc1cc(cnc1)Br AB68529 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.226 CC(=O)OCc1cc(ccn1)Br AB65591 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [1,1,0,0,0,0|1,0,1]=4 233 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl AB20716 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,1,0,0,1,0|0,0,0]=2 235 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,1,0,0,1,0|1,0,1]=4 236 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,1,0,0,1,0|2,0,0]=4 237 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,1,0,0,1,0|2,0,0]=4 238 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,1,0,0,1,0|1,0,1]=4 239 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,1,0,0,1,0|1,0,1]=4 240 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,1,0,0,1,0|2,0,0]=4 241 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)F MB07187 [0,1,0,0,1,0|2,0,0]=4 242 B12R1.19 Cc1ccc(cc1Br)NC(=O)C AB07992 [0,1,0,0,1,0|2,0,0]=4 243 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,1,0,0,1,0|1,0,1]=4 244 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AB06684 [0,1,0,0,1,0|2,0,0]=4 245 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)N AB32672 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB02090 [0,1,0,0,1,0|2,0,0]=4 247 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB20158 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl AB02094 [0,1,0,0,1,0|2,0,0]=4 249 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB02694 [0,1,0,0,1,0|2,0,0]=4 250 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB24574 [0,1,0,0,1,0|2,0,0]=4 251 B12R1.20 c1cc(ccc1C(C(=O)O)N)O AB02671 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AB15770 [0,1,0,0,1,0|2,0,0]=4 253 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AB04848 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Br AB32807 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl AB16238 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F AB01939 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O AB00341 [0,1,0,0,1,0|1,0,0]=3 258 B12R1.106 CC(C)(C)Cc1ccc(cc1)O AB16670 [0,1,0,0,1,0|1,0,1]=4 259 B12R1.106 CC(C)(Cc1ccc(cc1)O)N AB07591 [0,1,0,0,1,0|1,0,1]=4 260 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O MB01417 [0,1,0,0,1,0|2,0,0]=4 261 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)F AB49706 [0,1,0,0,0,1|1,0,1]=4 262 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)Br AB01200 [0,1,0,0,0,1|2,0,0]=4 263 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)F AB00270 [0,1,0,0,0,1|2,0,0]=4 264 B14R1.679 Cc1ccc(cc1)CCC(C(=O)O)N AB33782 [0,1,0,0,0,1|2,0,0]=4 265 B14R1.679 Cc1ccc(cc1)CC[C@@H](C(=O)O)N AB33785 [0,1,0,0,0,1|2,0,0]=4 266 B14R1.679 Cc1ccc(cc1)CC[C@H](C(=O)O)N AB33784 [0,1,0,0,0,1|2,0,0]=4 267 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)Br AB33978 [0,1,0,0,0,1|2,0,0]=4 268 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)Cl AB33922 [0,1,0,0,0,1|2,0,0]=4 269 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)F AB33879 [0,1,0,0,0,1|2,0,0]=4 270 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)O AB14703 [0,1,0,0,0,1|1,0,0]=3 271 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)Br AB33982 [0,1,0,0,0,1|2,0,0]=4 272 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)Cl AB33926 [0,1,0,0,0,1|2,0,0]=4 273 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)F AB33883 [0,1,0,0,0,1|2,0,0]=4 274 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O AB15550 [0,1,0,0,0,1|1,0,0]=3 275 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)Br AB33980 [0,1,0,0,0,1|2,0,0]=4 276 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)Cl AB33924 [0,1,0,0,0,1|2,0,0]=4 277 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)F AB33880 [0,1,0,0,0,1|2,0,0]=4 278 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)O AB34025 [0,1,0,0,0,1|1,0,0]=3 279 B14R1.4464 c1cc(c(cc1Br)Br)OCCC(=O)O AB49596 [0,1,0,0,0,1|2,0,0]=4 280 B14R1.2 CCc1ccc(cc1)C(CC(=O)O)N AB10605 [0,2,0,0,0,0|2,0,0]=4 281 B14R1.2 CCc1ccc(cc1)[C@@H](CC(=O)O)N AB35814 [0,2,0,0,0,0|2,0,0]=4 282 B14R1.2 CCc1ccc(cc1)[C@H](CC(=O)O)N AB23537 [0,2,0,0,0,0|2,0,0]=4 283 B14R1.2 COc1ccc(cc1)C(CC(=O)O)N AB04473 [0,2,0,0,0,0|1,0,0]=3 284 B14R1.2 COc1ccc(cc1)[C@@H](CC(=O)O)N AB08689 [0,2,0,0,0,0|1,0,0]=3 285 B14R1.2 COc1ccc(cc1)[C@H](CC(=O)O)N AB17827 [0,2,0,0,0,0|1,0,0]=3 286 B14R1.3 CCc1ccc(cc1)CC(C(=O)O)N AB21663 [0,2,0,0,0,0|2,0,0]=4 287 B14R1.3 CCc1ccc(cc1)C[C@@H](C(=O)O)N AB09426 [0,2,0,0,0,0|2,0,0]=4 288 B14R1.3 CCc1ccc(cc1)C[C@H](C(=O)O)N AB33358 [0,2,0,0,0,0|2,0,0]=4 289 B14R1.3 COc1ccc(cc1)CC(C(=O)O)N AB02503 [0,2,0,0,0,0|1,0,0]=3 290 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N AB00243 [0,2,0,0,0,0|1,0,0]=3 291 B14R1.211 COc1ccc(cc1)CCS(=O)(=O)Cl AB54568 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.419 B(c1ccc(cc1)CCC(=O)O)(O)O AB08635 [0,2,0,0,0,0|1,0,0]=3 293 B14R1.419 B(c1ccc(cc1)CNC(=O)C)(O)O AB26390 [0,2,0,0,0,0|1,0,0]=3 294 B14R1.419 CC(=O)COc1ccc(cc1)[N+](=O)[O-] AB12119 [0,2,0,0,0,0|1,0,1]=4 295 B14R1.134 COC(=O)C(Cc1ccc(cc1)Br)Br AB18059 [0,2,0,0,0,0|1,0,0]=3 296 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)N)N AB25031 [0,2,0,0,0,0|1,0,0]=3 297 B14R1.502 CCOC(=O)CCc1ccc(cc1)N MB04702 [0,2,0,0,0,0|1,0,0]=3 298 B14R1.502 CCOC(=O)COc1ccc(cc1)Br AB06130 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.502 CCOC(=O)COc1ccc(cc1)C AB04789 [0,2,0,0,0,0|2,0,0]=4 300 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl AB07801 [0,2,0,0,0,0|2,0,0]=4 301 B14R1.502 CCOC(=O)COc1ccc(cc1)F AB14478 [0,2,0,0,0,0|2,0,0]=4 302 B14R1.502 CCOC(=O)COc1ccc(cc1)I AB26118 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.685 c1cc(c(cc1C(CC(=O)O)N)Cl)Cl AB06134 [0,2,0,0,0,0|2,0,0]=4 304 B14R1.685 c1cc(c(cc1C(CC(=O)O)N)F)F AB12937 [0,2,0,0,0,0|2,0,0]=4 305 B14R1.685 c1cc(c(cc1[C@@H](CC(=O)O)N)Cl)Cl AB35937 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.685 c1cc(c(cc1[C@@H](CC(=O)O)N)F)F AB35910 [0,2,0,0,0,0|2,0,0]=4 307 B14R1.685 c1cc(c(cc1[C@H](CC(=O)O)N)Cl)Cl AB23540 [0,2,0,0,0,0|2,0,0]=4 308 B14R1.685 c1cc(c(cc1[C@H](CC(=O)O)N)F)F AB35908 [0,2,0,0,0,0|2,0,0]=4 309 B14R1.1019 c1cc(ccc1C(CC(=O)O)CN)Cl MB00475 [0,2,0,0,0,0|2,0,0]=4 310 B14R1.6048 c1cc(c(cc1Cl)Cl)C(CC(=O)O)N AB12021 [0,2,0,0,0,0|2,0,0]=4 311 B14R1.6048 c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)O)N AB17711 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.6048 c1cc(c(cc1Cl)Cl)[C@H](CC(=O)O)N AB17774 [0,2,0,0,0,0|2,0,0]=4 313 B14R1.6048 c1cc(c(cc1F)F)C(CC(=O)O)N AB12025 [0,2,0,0,0,0|2,0,0]=4 314 B14R1.6048 c1cc(c(cc1F)F)[C@@H](CC(=O)O)N AB35892 [0,2,0,0,0,0|2,0,0]=4 315 B14R1.6048 c1cc(c(cc1F)F)[C@H](CC(=O)O)N AB23548 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.536 Cc1ccc(cc1)CC(CN)C(=O)O AB12910 [0,2,0,0,0,0|2,0,0]=4 317 B14R1.536 Cc1ccc(cc1)C[C@@H](CN)C(=O)O AB34772 [0,2,0,0,0,0|2,0,0]=4 318 B14R1.536 Cc1ccc(cc1)C[C@H](CN)C(=O)O AB34773 [0,2,0,0,0,0|2,0,0]=4 319 B14R1.536 c1cc(ccc1CC(CN)C(=O)O)Br AB34966 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.536 c1cc(ccc1CC(CN)C(=O)O)Cl AB34921 [0,2,0,0,0,0|2,0,0]=4 321 B14R1.536 c1cc(ccc1CC(CN)C(=O)O)F AB34864 [0,2,0,0,0,0|2,0,0]=4 322 B14R1.536 c1cc(ccc1CC(CN)C(=O)O)O AB12896 [0,2,0,0,0,0|1,0,0]=3 323 B14R1.536 c1cc(ccc1C[C@@H](CN)C(=O)O)Br AB34970 [0,2,0,0,0,0|2,0,0]=4 324 B14R1.536 c1cc(ccc1C[C@@H](CN)C(=O)O)Cl AB34922 [0,2,0,0,0,0|2,0,0]=4 325 B14R1.536 c1cc(ccc1C[C@@H](CN)C(=O)O)F AB34865 [0,2,0,0,0,0|2,0,0]=4 326 B14R1.536 c1cc(ccc1C[C@@H](CN)C(=O)O)O AB35027 [0,2,0,0,0,0|1,0,0]=3 327 B14R1.536 c1cc(ccc1C[C@H](CN)C(=O)O)Br AB34974 [0,2,0,0,0,0|2,0,0]=4 328 B14R1.536 c1cc(ccc1C[C@H](CN)C(=O)O)Cl AB34924 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.536 c1cc(ccc1C[C@H](CN)C(=O)O)F AB34868 [0,2,0,0,0,0|2,0,0]=4 330 B14R1.536 c1cc(ccc1C[C@H](CN)C(=O)O)O AB35031 [0,2,0,0,0,0|1,0,0]=3 331 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)Cl)Cl AB33552 [0,2,0,0,0,0|2,0,0]=4 332 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)F)F AB02430 [0,2,0,0,0,0|2,0,0]=4 333 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl AB04563 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)F AB08129 [0,2,0,0,0,0|2,0,0]=4 335 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)Cl)Cl AB06767 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.6049 Cc1cc(ccc1CC(C(=O)O)N)O AB15695 [0,2,0,0,0,0|1,0,0]=3 337 B14R1.6049 c1cc(c(cc1Cl)Cl)CC(C(=O)O)N AB21640 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.6049 c1cc(c(cc1Cl)Cl)C[C@@H](C(=O)O)N AB10100 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.6049 c1cc(c(cc1Cl)Cl)C[C@H](C(=O)O)N AB10084 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.6049 c1cc(c(cc1F)F)CC(C(=O)O)N AB02418 [0,2,0,0,0,0|2,0,0]=4 341 B14R1.6049 c1cc(c(cc1F)F)C[C@@H](C(=O)O)N AB16790 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.6049 c1cc(c(cc1F)F)C[C@H](C(=O)O)N AB33470 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.7626 C[C@@](Cc1ccc(cc1)Br)(C(=O)O)N AB48910 [0,2,0,0,0,0|2,0,0]=4 344 B14R1.7626 C[C@@](Cc1ccc(cc1)F)(C(=O)O)N AB43344 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.7626 C[C@@](Cc1ccc(cc1)O)(C(=O)O)N AB43498 [0,2,0,0,0,0|1,0,0]=3 346 B14R1.7626 C[C@](Cc1ccc(cc1)Br)(C(=O)O)N AB48912 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.7626 C[C@](Cc1ccc(cc1)F)(C(=O)O)N AB43348 [0,2,0,0,0,0|2,0,0]=4 348 B14R1.7626 C[C@](Cc1ccc(cc1)O)(C(=O)O)N AB02561 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.15552 c1c(cc(c(c1O)F)F)CCC(=O)O AB21055 [0,2,0,0,0,0|2,0,0]=4 350 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [1,0,0,1,0,0|2,0,0]=4 351 B12R2.24 c1c(cnc2c1CNCC2)O AB44464 [1,0,0,1,0,0|2,0,0]=4 352 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [1,0,0,1,0,0|1,0,1]=4 353 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [1,0,0,1,0,0|2,0,0]=4 354 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [1,0,0,1,0,0|2,0,0]=4 355 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [1,0,0,1,0,0|2,0,0]=4 356 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [1,0,0,1,0,0|2,0,0]=4 357 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [1,0,0,1,0,0|1,0,1]=4 358 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [1,0,0,1,0,0|1,0,0]=3 359 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [1,0,0,1,0,0|2,0,0]=4 360 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [1,0,0,1,0,0|2,0,0]=4 362 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [1,0,0,1,0,0|2,0,0]=4 364 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [1,0,0,1,0,0|1,0,0]=3 365 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [1,0,0,1,0,0|2,0,0]=4 366 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [1,0,0,1,0,0|2,0,0]=4 367 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [1,0,0,1,0,0|2,0,0]=4 368 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [1,0,0,1,0,0|1,0,0]=3 369 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [1,0,0,1,0,0|2,0,0]=4 370 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [1,0,0,1,0,0|2,0,0]=4 371 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [1,0,0,1,0,0|1,0,0]=3 372 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [1,0,0,1,0,0|2,0,0]=4 376 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [1,0,0,1,0,0|1,0,0]=3 377 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [1,0,0,1,0,0|1,0,1]=4 378 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [1,0,0,1,0,0|1,0,1]=4 379 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [1,0,0,1,0,0|1,0,1]=4 380 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [1,0,0,1,0,0|0,0,0]=2 381 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [1,0,0,1,0,0|1,0,0]=3 382 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [1,0,0,1,0,0|1,0,1]=4 383 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [1,0,0,1,0,0|1,0,1]=4 384 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [1,0,0,1,0,0|1,0,1]=4 385 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,0,0,1,1,0|1,0,0]=3 386 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,0,0,1,1,0|2,0,0]=4 387 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,0,0,1,1,0|2,0,0]=4 388 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,0,0,1,1,0|2,0,0]=4 389 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,0,0,1,1,0|2,0,0]=4 390 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,0,0,1,1,0|2,0,0]=4 391 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,0,0,1,1,0|2,0,0]=4 392 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,0,0,1,1,0|2,0,0]=4 393 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,0,0,1,1,0|2,0,0]=4 394 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,0,0,1,1,0|2,0,0]=4 395 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,0,0,1,1,0|1,0,0]=3 396 B14R2.20 Cc1ccc(cc1)C2CCC(=O)C2 AB26347 [0,0,0,1,0,1|1,0,0]=3 397 B14R2.20 c1cc(ccc1C2CCC(=O)C2)Br AB26346 [0,0,0,1,0,1|1,0,0]=3 398 B14R2.20 c1cc(ccc1C2CCC(=O)C2)Cl AB26349 [0,0,0,1,0,1|1,0,0]=3 399 B14R2.20 c1cc(ccc1C2CCC(=O)C2)F AB26352 [0,0,0,1,0,1|1,0,0]=3 400 B14R2.20 c1cc(ccc1C2CCC(=O)N2)Cl CB11852 [0,0,0,1,0,1|2,0,0]=4 401 B14R2.380 c1cc2c(cc1N)NC(=O)CCC2 PB20088 [0,0,0,1,0,1|2,0,0]=4 402 B14R2.5816 c1cc2c(cc1Br)C(CC2)C(=O)O AB60826 [0,0,0,1,0,1|2,0,0]=4 403 B14R2.5816 c1cc2c(cc1Br)C(CO2)C(=O)O AB56754 [0,0,0,1,0,1|2,0,0]=4 404 B14R2.5816 c1cc2c(cc1Cl)C(CO2)C(=O)O AB56758 [0,0,0,1,0,1|2,0,0]=4 405 B14R2.5816 c1cc2c(cc1F)C(CO2)C(=O)O AB56750 [0,0,0,1,0,1|2,0,0]=4 406 B14R2.134 COc1cc2c(cn1)CNC(=O)C2 AB77281 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 AB00149 [0,1,0,1,0,0|0,0,0]=2 408 B14R2.134 COc1ccc2c(c1)CC(CC2)N AB28763 [0,1,0,1,0,0|1,0,1]=4 409 B14R2.134 COc1ccc2c(c1)C[C@@H](CC2)N AB06762 [0,1,0,1,0,0|1,0,1]=4 410 B14R2.134 COc1ccc2c(c1)C[C@H](CC2)N AB06766 [0,1,0,1,0,0|1,0,1]=4 411 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 AB44261 [0,1,0,1,0,0|2,0,0]=4 412 B14R2.134 COc1ccc2c(n1)CC(=O)NC2 AB77212 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.134 COc1ncc2c(n1)CC(=O)CC2 AB61061 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.134 c1c(cnc2c1CC(=O)CC2)C=O AB61042 [0,1,0,1,0,0|1,0,1]=4 415 B14R2.134 c1cc2c(cc1C#N)CC(=O)CO2 AB56623 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.134 c1cc2c(cc1CO)NC(=O)CC2 CB11738 [0,1,0,1,0,0|1,0,0]=3 417 B14R2.29365 c1c(cc(c2c1CC(=O)CC2)Cl)Cl MB09066 [0,1,0,1,0,0|1,0,0]=3 418 B14R2.29365 c1c(cc(c2c1CC(=O)CC2)F)F MB02952 [0,1,0,1,0,0|1,0,0]=3 419 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N AB27601 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,0,0,0,1,0|1,0,0]=3 421 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,0,0,0,1,0|1,0,0]=3 422 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,0,0,0,1,0|1,0,0]=3 423 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [1,0,0,0,1,0|2,0,0]=4 424 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [1,0,0,0,1,0|2,0,0]=4 425 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,0,0,0,1,0|1,0,1]=4 426 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,0,0,0,1,0|1,0,1]=4 427 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [1,0,0,0,1,0|2,0,0]=4 428 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,0,0,0,1,0|2,0,0]=4 429 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,0,0,0,2,0|1,0,0]=3 430 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,0,0,0,2,0|2,0,0]=4 431 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,0,0,0,2,0|2,0,0]=4 432 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,0,0,0,2,0|2,0,0]=4 433 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,0,0,0,2,0|2,0,0]=4 434 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,0,0,0,2,0|1,0,0]=3 435 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,0,0,0,2,0|2,0,0]=4 436 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,0,0,0,2,0|2,0,0]=4 437 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,0,0,0,2,0|2,0,0]=4 438 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,0,0,0,2,0|2,0,0]=4 439 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,0,0,0,2,0|1,0,0]=3 440 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,0,0,0,2,0|2,0,0]=4 441 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,0,0,0,2,0|2,0,0]=4 442 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,0,0,0,2,0|2,0,0]=4 443 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,0,0,0,2,0|2,0,0]=4 444 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,0,0,0,2,0|2,0,0]=4 445 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,0,0,0,2,0|1,1,0]=4 446 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,0,0,0,2,0|2,0,0]=4 447 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,0,0,0,2,0|2,0,0]=4 448 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,0,0,0,2,0|2,0,0]=4 449 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [1,0,0,0,0,1|1,0,0]=3 450 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [1,0,0,0,0,1|1,0,0]=3 451 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [1,0,0,0,0,1|1,0,0]=3 452 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [1,0,0,0,0,1|1,0,0]=3 453 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [1,0,0,0,0,1|1,0,0]=3 454 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [1,0,0,0,0,1|1,0,0]=3