0 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CNCCc1cccnc1 AB10676 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CNCCc1ccncc1 AB02055 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 c1cnccc1CCC=O AB49299 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.17 c1cnccc1CCCN AB43583 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,1,0,0,0,0|1,0,2]=4 24 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,1,0,0,0,0|1,0,2]=4 32 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.43 c1cc(cnc1)CC(C(=O)O)N AB11720 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N AB03059 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB03057 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB13745 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.43 c1ccnc(c1)CC(C(=O)O)N AB05436 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N AB05414 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.43 c1cnccc1CC(C(=O)O)N AB21677 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.43 c1cnccc1C[C@H](C(=O)O)N AB10088 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.107 c1cc(cnc1)C(CC(=O)O)N AB09204 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N AB17754 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N AB17820 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,1,0,0,0,0|1,0,1]=3 49 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.107 c1ccnc(c1)C(CC(=O)O)N AB23245 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.107 c1ccnc(c1)[C@@H](CC(=O)O)N AB29680 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.107 c1ccnc(c1)[C@H](CC(=O)O)N AB29681 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.107 c1cnccc1C(CC(=O)O)N AB09530 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.107 c1cnccc1[C@@H](CC(=O)O)N AB36081 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.107 c1cnccc1[C@H](CC(=O)O)N AB17832 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.125 CC(C)COc1c(cccn1)Br AB68532 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,1,0,0,0,0|1,0,2]=4 63 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,1,0,0,0,0|1,0,2]=4 65 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl AB20716 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,1,0,0|0,0,2]=3 76 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,1,0,0|1,0,2]=4 77 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,0,0,1,0,0|1,0,0]=2 78 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,0,0,1,0,0|1,0,0]=2 79 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,0,0,1,0,0|1,0,0]=2 80 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,0,0,1,0,0|1,0,0]=2 81 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,0|1,0,0]=2 82 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,0|2,0,0]=3 83 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.24 c1c2c(ncn1)CC(CC2)N AB61113 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 c1c2c(ncn1)CCC(C2)N AB45337 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,0|1,0,2]=4 88 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,0|1,0,2]=4 90 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,0|2,0,0]=3 92 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,0|1,0,0]=2 93 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.2057 c1cc(cnc1)OCC2CC2 MB19960 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,0,0,1,0,0|2,0,0]=3 99 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,1,0|2,0,0]=3 100 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,1,0|1,0,2]=4 101 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,1,0|1,0,2]=4 102 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,1,0|1,0,2]=4 103 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,0,0,1,0|3,0,0]=4 104 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,0,0,1,0|2,0,0]=3 105 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,0,0,0,1,0|2,0,0]=3 107 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,0,0,0,1,0|3,0,0]=4 108 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,1,0|1,0,0]=2 109 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,1,0|1,0,0]=2 110 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,1,0|2,0,1]=4 111 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,1,0|2,0,1]=4 112 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,0,0,0,0,1|1,0,1]=3 113 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,0,0,0,1|1,0,2]=4 114 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,0,0,0,0,1|1,0,1]=3 115 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,0,1|1,0,2]=4 116 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [0,0,0,0,0,1|1,0,1]=3 117 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [0,0,0,0,0,1|1,0,1]=3 118 B9R1.8 CNCc1ccccn1 AB10674 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 CNCc1cccnc1 AB01384 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 CNCc1ccncc1 AB02721 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.8 c1cc(cnc1)CCN AB04606 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [2,0,0,0,0,0|1,0,1]=4 123 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.8 c1cnccc1CCN AB01702 [2,0,0,0,0,0|2,0,0]=4 125 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,1,0,0,0,0|0,0,2]=4 130 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,1,0,0,0,0|0,0,2]=4 134 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,1,0,0,0,0|0,0,2]=4 135 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,1,0,0,0,0|0,0,2]=4 136 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,1,0,0,0,0|0,0,2]=4 137 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|0,0,0]=2 144 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.16 CCCC(c1cnccn1)N AB27585 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.16 CN(CCN)c1ccccc1 AB02070 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,1,0,0,0,0|0,0,0]=2 152 B11R1.17 Cc1c(cccn1)CCCN AB66944 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.17 Cc1ccccc1CCC=O AB42260 [1,1,0,0,0,0|0,0,2]=4 154 B11R1.17 Cc1ccccc1CCCN AB38679 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.17 Cc1ccncc1CCCN AB67853 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [1,1,0,0,0,0|0,0,2]=4 159 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [1,1,0,0,0,0|0,0,2]=4 160 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [1,1,0,0,0,0|0,0,2]=4 161 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.17 c1cncc(c1F)CCCN AB68073 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.24 CCCOc1cccc(n1)Br AB05235 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.24 COCOc1cccc(c1)Br AB72137 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [1,1,0,0,0,0|0,0,2]=4 171 B11R1.24 Cc1cccc(c1)CCCN AB38680 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.24 Cc1cccc(c1)CCNC AB27735 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.24 Cc1cccc(n1)CCCN AB55096 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [1,1,0,0,0,0|0,0,2]=4 176 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [1,1,0,0,0,0|0,0,2]=4 178 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [1,1,0,0,0,0|0,0,2]=4 180 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.24 c1cnc(cc1F)CCCN AB68075 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.28 CNCCCc1ccccc1 AB10671 [1,1,0,0,0,0|0,0,0]=2 189 B11R1.28 CNCCOc1ccccn1 AB60653 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,1,0,0,0,0|0,0,0]=2 192 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.28 c1ccnc(c1)OCCCN AB60652 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.40 CC(Cc1ccccc1)CN CB11363 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,1,0|2,0,0]=4 204 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,1,0|1,0,0]=3 205 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,1,0|1,0,0]=3 206 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,1,0|1,0,0]=3 209 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,1,0|1,0,0]=3 210 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,1,0|1,0,0]=3 211 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,1,0|1,0,1]=4 214 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,0,0,1,0|2,0,0]=4 215 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,1,0|1,0,1]=4 216 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,1,0|1,0,1]=4 217 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,0,0,1,0|1,0,0]=3 218 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,0,0,1,0|1,0,0]=3 219 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,0,0,1,0|2,0,0]=4 220 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,0,0,1,0|2,0,0]=4 221 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,1,0|1,0,1]=4 223 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,0,0,1,0|1,0,0]=3 225 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,0,0,1,0|1,0,0]=3 232 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,1,0|1,0,1]=4 233 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,1,0|1,0,1]=4 234 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,1,0|1,0,1]=4 235 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,1,0,0,1,0|1,0,0]=3 236 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [0,1,0,0,1,0|2,0,0]=4 239 B13R1.45 CN(C)CCC(c1ccccc1)O AB03278 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.149 c1cc(cc(c1)Cl)OCCC(=O)O AB03979 [0,1,0,0,0,1|1,0,1]=4 241 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Br AB52820 [0,1,0,0,0,1|1,0,1]=4 242 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [0,1,0,0,0,1|1,0,1]=4 243 B13R1.158 c1ccc(c(c1)NCCC(=O)O)I AB44265 [0,1,0,0,0,1|1,0,1]=4 244 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N AB02512 [0,1,0,0,0,1|1,0,1]=4 245 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N AB00246 [0,1,0,0,0,1|1,0,1]=4 246 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [0,1,0,0,0,1|0,0,2]=4 247 B13R1.513 c1cc(ccc1CCCC(=O)O)Br MB01227 [0,1,0,0,0,1|1,0,1]=4 248 B13R1.513 c1cc(ccc1NCCC(=O)O)Br AB51540 [0,1,0,0,0,1|1,0,1]=4 249 B13R1.513 c1cc(ccc1NCCC(=O)O)Cl AB07378 [0,1,0,0,0,1|1,0,1]=4 250 B13R1.513 c1cc(ccc1NCCC(=O)O)I AB52822 [0,1,0,0,0,1|1,0,1]=4 251 B13R1.718 COC(=O)COCc1ccccc1 AB63738 [0,1,0,0,0,1|0,0,2]=4 252 B13R1.718 COC(=O)NCCc1ccccc1 AB09088 [0,1,0,0,0,1|0,0,2]=4 253 B13R1.3523 CC(C)(COCc1ccccc1)O AB84932 [0,1,0,0,0,1|0,0,0]=2 254 B13R1.3523 C[Si](C)(C)CNCc1ccccc1 AB01086 [0,1,0,0,0,1|1,1,0]=4 255 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,2,0,0,0,0|1,0,1]=4 256 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.3 c1cc(ccc1CCC(=O)O)C#N MB05759 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [0,2,0,0,0,0|1,0,1]=4 259 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,2,0,0,0,0|0,0,2]=4 260 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N AB10334 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AB16419 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br AB04471 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl AB03524 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.132 c1cc(ccc1C(CC(=O)O)N)O AB04424 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br AB16414 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AB16416 [0,2,0,0,0,0|1,0,1]=4 267 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F AB16447 [0,2,0,0,0,0|1,0,1]=4 268 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Br AB16442 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)F AB16446 [0,2,0,0,0,0|1,0,1]=4 270 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)O AB17825 [0,2,0,0,0,0|1,0,1]=4 271 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [0,2,0,0,0,0|1,0,1]=4 272 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [0,2,0,0,0,0|1,0,1]=4 273 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br AB00237 [0,2,0,0,0,0|1,0,1]=4 274 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl AB00241 [0,2,0,0,0,0|1,0,1]=4 275 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F AB00239 [0,2,0,0,0,0|1,0,1]=4 276 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br AB02494 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl AB02502 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O AB00245 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl AB03058 [0,2,0,0,0,0|1,0,1]=4 280 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F AB02498 [0,2,0,0,0,0|1,0,1]=4 281 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O AB02505 [0,2,0,0,0,0|1,0,1]=4 282 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl AB01193 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F AB07245 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.512 CC(C)(CCc1ccc(cc1)Cl)N AB68859 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.512 CC(C)(CCc1ccc(cc1)F)N AB68856 [0,2,0,0,0,0|1,0,0]=3 286 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N AB43040 [0,2,0,0,0,0|0,0,2]=4 287 B13R1.11 COC(=O)C[C@H](c1ccccc1)N AB43041 [0,2,0,0,0,0|0,0,2]=4 288 B13R1.15 COC(=O)CCc1cccc(c1)Cl AB18124 [0,2,0,0,0,0|0,0,2]=4 289 B13R1.135 COC(=O)C(Cc1ccccc1)N AB01980 [0,2,0,0,0,0|0,0,2]=4 290 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N AB01100 [0,2,0,0,0,0|0,0,2]=4 291 B13R1.148 Cc1cccc(c1)CC(C(=O)O)N AB21660 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N AB02005 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.148 Cc1cccc(c1)C[C@H](C(=O)O)N AB10080 [0,2,0,0,0,0|1,0,1]=4 294 B13R1.148 c1cc(cc(c1)Br)CC(C(=O)O)N AB21654 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N AB25927 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N AB25926 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.148 c1cc(cc(c1)Cl)CC(C(=O)O)N AB21649 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N AB08125 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.148 c1cc(cc(c1)Cl)C[C@H](C(=O)O)N AB09412 [0,2,0,0,0,0|1,0,1]=4 300 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N AB00349 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N AB02699 [0,2,0,0,0,0|1,0,1]=4 302 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N AB02698 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.148 c1cc(cc(c1)O)CC(C(=O)O)N AB00236 [0,2,0,0,0,0|1,0,1]=4 304 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N AB02492 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.148 c1cc(cc(c1)O)C[C@H](C(=O)O)N AB15920 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.202 Cc1ccccc1CC(C(=O)O)N AB09956 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.202 Cc1ccccc1C[C@@H](C(=O)O)N AB02002 [0,2,0,0,0,0|1,0,1]=4 308 B13R1.202 Cc1ccccc1C[C@H](C(=O)O)N AB10076 [0,2,0,0,0,0|1,0,1]=4 309 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Br AB21653 [0,2,0,0,0,0|1,0,1]=4 310 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl AB01662 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)F AB00346 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)O AB01309 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br AB13181 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)F AB02697 [0,2,0,0,0,0|1,0,1]=4 315 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)O AB09421 [0,2,0,0,0,0|1,0,1]=4 316 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Br AB13184 [0,2,0,0,0,0|1,0,1]=4 317 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl AB02989 [0,2,0,0,0,0|1,0,1]=4 318 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)F AB02696 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)O AB21388 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.353 c1ccc(cc1)CC(C(F)(F)F)N AB68461 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.418 c1ccc(cc1)CC(CN)C(=O)O AB09206 [0,2,0,0,0,0|1,0,1]=4 322 B13R1.418 c1ccc(cc1)C[C@@H](CN)C(=O)O AB34723 [0,2,0,0,0,0|1,0,1]=4 323 B13R1.418 c1ccc(cc1)C[C@H](CN)C(=O)O AB34725 [0,2,0,0,0,0|1,0,1]=4 324 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N AB01038 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)N AB04114 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N AB03937 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.147 Cc1cccc(c1)C(CC(=O)O)N AB10462 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.147 Cc1cccc(c1)[C@@H](CC(=O)O)N AB17753 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.147 Cc1cccc(c1)[C@H](CC(=O)O)N AB17818 [0,2,0,0,0,0|1,0,1]=4 330 B13R1.147 c1cc(cc(c1)Br)C(CC(=O)O)N AB07928 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.147 c1cc(cc(c1)Br)[C@@H](CC(=O)O)N AB17739 [0,2,0,0,0,0|1,0,1]=4 332 B13R1.147 c1cc(cc(c1)Cl)C(CC(=O)O)N AB06139 [0,2,0,0,0,0|1,0,1]=4 333 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N AB17741 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.147 c1cc(cc(c1)Cl)[C@H](CC(=O)O)N AB17809 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N AB07051 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.147 c1cc(cc(c1)F)[C@@H](CC(=O)O)N AB17745 [0,2,0,0,0,0|1,0,1]=4 337 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N AB17811 [0,2,0,0,0,0|1,0,1]=4 338 B13R1.147 c1cc(cc(c1)O)C(CC(=O)O)N AB10454 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.147 c1cc(cc(c1)O)[C@@H](CC(=O)O)N AB17749 [0,2,0,0,0,0|1,0,1]=4 340 B13R1.147 c1cc(cc(c1)O)[C@H](CC(=O)O)N AB17812 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.201 Cc1ccccc1C(CC(=O)O)N AB10460 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.201 Cc1ccccc1[C@@H](CC(=O)O)N AB17728 [0,2,0,0,0,0|1,0,1]=4 343 B13R1.201 Cc1ccccc1[C@H](CC(=O)O)N AB17794 [0,2,0,0,0,0|1,0,1]=4 344 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Br AB10446 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl AB10448 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)F AB04657 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)O AB06619 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Br AB17714 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Cl AB17716 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)F AB17720 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)O AB17722 [0,2,0,0,0,0|1,0,1]=4 352 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Br AB17778 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Cl AB17779 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)F AB17783 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)O AB17787 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.90 COc1ccccc1CCC(=O)O AB00262 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.90 c1ccc(c(c1)CCC(=O)O)C=O MB05783 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.150 c1cc(c(c(c1)Cl)Cl)CCC(=O)O AB30477 [0,2,0,0,0,0|1,0,1]=4 359 B13R1.150 c1cc(c(c(c1)F)F)CCC(=O)O AB20651 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.643 COc1cccc(c1)CCC(=O)O AB01136 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.643 c1cc(cc(c1)C#N)CCC(=O)O MB05208 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.643 c1cc(cc(c1)C=O)CCC(=O)O MB05769 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.3420 Cc1cc(cc(c1)CCC(=O)O)C MB06914 [0,2,0,0,0,0|1,0,1]=4 364 B11R2.1 B1(c2ccccc2CO1)O AB08148 [1,0,0,1,0,0|2,0,0]=4 365 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|1,0,0]=3 366 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [1,0,0,1,0,0|2,0,0]=4 368 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|1,0,0]=3 369 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [1,0,0,1,0,0|2,0,0]=4 370 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|1,0,0]=3 371 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|1,0,0]=3 372 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [1,0,0,1,0,0|1,0,0]=3 373 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [1,0,0,1,0,0|2,0,0]=4 374 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [1,0,0,1,0,0|2,0,0]=4 378 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,1,0,0|1,0,1]=4 379 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [1,0,0,1,0,0|1,0,0]=3 380 B11R2.20 c1cncc2c1CCCN2 AB64133 [1,0,0,1,0,0|2,0,0]=4 381 B11R2.20 c1cncc2c1CCNC2 PB10616 [1,0,0,1,0,0|2,0,0]=4 382 B11R2.20 c1cncc2c1CNCC2 AB48928 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.20 c1cncc2c1NCCC2 AB43638 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.20 c1cncc2c1NCCO2 AB66612 [1,0,0,1,0,0|2,0,0]=4 385 B11R2.20 c1cncc2c1OCCN2 AB43406 [1,0,0,1,0,0|2,0,0]=4 386 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [1,0,0,1,0,0|2,0,0]=4 387 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.238 c1cnccc1OC2CC2 MB19994 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,0,1,1,0|1,0,0]=3 390 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,0,1,1,0|1,0,0]=3 391 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,0,1,1,0|2,0,0]=4 392 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [0,0,0,1,0,1|0,0,2]=4 393 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,0,0,1,0,1|0,0,2]=4 394 B13R2.31 c1ccc(cc1)CN2CC(C2)O PB10180 [0,0,0,1,0,1|0,0,0]=2 395 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O AB16477 [0,0,0,1,0,1|1,0,1]=4 396 B13R2.72 c1ccc2c(c1)C(CO2)C(=O)O AB45862 [0,0,0,1,0,1|1,0,1]=4 397 B13R2.72 c1ccc2c(c1)CCC2C(=O)O AB01304 [0,0,0,1,0,1|1,0,1]=4 398 B13R2.72 c1ccc2c(c1)CNC2C(=O)O AB08706 [0,0,0,1,0,1|1,0,1]=4 399 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,0,1,0,1|0,0,2]=4 400 B13R2.423 B(C1CC1c2ccccc2)(O)O AB14743 [0,0,0,1,0,1|2,0,0]=4 401 B13R2.423 B([C@H]1C[C@@H]1c2ccccc2)(O)O AB29955 [0,0,0,1,0,1|2,0,0]=4 402 B13R2.3122 CC1(CCNc2c1cccc2)C MB10115 [0,0,0,1,0,1|1,0,0]=3 403 B13R2.3122 CC1(CNCc2c1cccc2)C MB05480 [0,0,0,1,0,1|1,0,0]=3 404 B13R2.3122 CC1(c2ccccc2CCN1)C AB62583 [0,0,0,1,0,1|1,0,0]=3 405 B13R2.3122 c1ccc2c(c1)CNCC2(F)F AB10198 [0,0,0,1,0,1|2,0,0]=4 406 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [0,1,0,1,0,0|0,0,2]=4 407 B13R2.155 CC1Cc2cc(ccc2CN1)Br AB39367 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.155 CN1CCc2ccc(cc2C1)N PB19216 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.155 Cc1ccc2c(c1)CC(CO2)N AB45770 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.155 Cc1ccc2c(c1)C[C@@H](CO2)N AB56592 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.155 Cc1ccc2c(c1)C[C@H](CO2)N AB56610 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [0,1,0,1,0,0|0,0,2]=4 413 B13R2.155 c1cc2c(cc1Br)CC(CC2)N AB28750 [0,1,0,1,0,0|1,0,0]=3 414 B13R2.155 c1cc2c(cc1Br)CC(CO2)N AB45763 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.155 c1cc2c(cc1Br)CC(CS2)N AB18500 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.155 c1cc2c(cc1Br)C[C@@H](CO2)N AB56586 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.155 c1cc2c(cc1Br)C[C@H](CO2)N AB56605 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [0,1,0,1,0,0|0,0,2]=4 419 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N AB28745 [0,1,0,1,0,0|1,0,0]=3 420 B13R2.155 c1cc2c(cc1Cl)CC(CO2)N AB45756 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.155 c1cc2c(cc1Cl)C[C@@H](CO2)N AB56582 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.155 c1cc2c(cc1Cl)C[C@H](CO2)N AB56600 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,1,0,1,0,0|0,0,2]=4 424 B13R2.155 c1cc2c(cc1F)CC(CC2)N AB28755 [0,1,0,1,0,0|1,0,0]=3 425 B13R2.155 c1cc2c(cc1F)CC(CO2)N AB45759 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.155 c1cc2c(cc1F)CC(CS2)N AB18480 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.155 c1cc2c(cc1F)C[C@@H](CO2)N AB56585 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.155 c1cc2c(cc1F)C[C@H](CO2)N AB56601 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [0,1,0,1,0,0|0,0,2]=4 430 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [0,1,0,1,0,0|0,0,2]=4 431 B13R2.155 c1cc2c(cc1O)CC(CC2)N AB28767 [0,1,0,1,0,0|1,0,0]=3 432 B13R2.527 Cc1ccc(cc1)OCC2CO2 AB02014 [0,1,0,1,0,0|1,0,0]=3 433 B13R2.527 c1cc(ccc1OCC2CO2)Br AB01313 [0,1,0,1,0,0|1,0,0]=3 434 B13R2.527 c1cc(ccc1OCC2CO2)Cl AB00382 [0,1,0,1,0,0|1,0,0]=3 435 B13R2.527 c1cc(ccc1OCC2CO2)F AB03367 [0,1,0,1,0,0|1,0,0]=3 436 B13R2.2988 c1cc(ccc1C2CC2(F)F)Br AB85398 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.3791 CC1(COc2c1cc(cc2)Br)C AB75454 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.32 c1ccc2c(c1)CCC(C2O)Br MB00774 [0,1,0,1,0,0|1,0,0]=3 439 B13R2.57 c1ccc2c(c1)CC(CO2)C=O AB56552 [0,1,0,1,0,0|1,0,1]=4 440 B13R2.57 c1ccc2c(c1)CC(NC2)CN AB31262 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.57 c1ccc2c(c1)CCC(C2)CN AB28261 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.57 c1ccc2c(c1)CCC(O2)CN AB60224 [0,1,0,1,0,0|0,0,0]=2 443 B13R2.57 c1ccc2c(c1)NC(CO2)CN AB22216 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.57 c1ccc2c(c1)NC(CO2)CO AB22218 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.57 c1ccc2c(c1)OCC(O2)C#N MB00524 [0,1,0,1,0,0|1,0,1]=4 446 B13R2.57 c1ccc2c(c1)OCC(O2)C=O AB11943 [0,1,0,1,0,0|1,0,1]=4 447 B13R2.57 c1ccc2c(c1)OCC(O2)CN AB08432 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.57 c1ccc2c(c1)OC[C@@H](O2)CN AB60220 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.57 c1ccc2c(c1)OC[C@H](O2)CN AB60219 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.3203 c1ccc(cc1)OCC2(CC2)N MB09044 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O AB13115 [0,1,0,1,0,0|1,0,1]=4 452 B13R2.12159 c1ccc2c(c1)C(CC2(F)F)N AB68674 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.222 CC1(CNc2c(cccn2)O1)C AB70680 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.222 CC1(CNc2ccccc2O1)C AB64324 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.222 CC1(COc2ccccc2N1)C AB72712 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 AB17098 [0,1,0,1,0,0|0,0,2]=4 457 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 AB17118 [0,1,0,1,0,0|0,0,2]=4 458 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 AB17125 [0,1,0,1,0,0|0,0,2]=4 459 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 MB03115 [0,1,0,1,0,0|0,0,2]=4 460 B13R2.162 CC1CNc2cccc(c2O1)N MB05442 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CC2 AB13241 [0,1,0,1,0,0|0,0,2]=4 462 B13R2.162 c1cc2c(c(c1)Br)CC(CO2)N AB70336 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 AB17123 [0,1,0,1,0,0|0,0,2]=4 464 B13R2.162 c1cc2c(c(c1)F)CC(=O)CC2 AB17130 [0,1,0,1,0,0|0,0,2]=4 465 B13R2.3020 c1cc(cc(c1)Br)C2CC2(F)F AB85396 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.3108 CC1(COc2c1ccc(c2)Br)C AB77123 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.3683 Cc1ccc2c(c1)OCC(C2)N AB56664 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 AB05455 [0,1,0,1,0,0|0,0,2]=4 469 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N AB28753 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.3683 c1cc2c(cc1Br)OCC(C2)N AB56668 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.3683 c1cc2c(cc1Br)OCC(C2)O AB66841 [0,1,0,1,0,0|1,0,0]=3 472 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,1,0,1,0,0|0,0,2]=4 473 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N AB28749 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.3683 c1cc2c(cc1Cl)OCC(C2)N AB56672 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [0,1,0,1,0,0|0,0,2]=4 476 B13R2.3683 c1cc2c(cc1F)CCC(C2)N AB18461 [0,1,0,1,0,0|1,0,0]=3 477 B13R2.3683 c1cc2c(cc1F)CCC(C2)O AB19247 [0,1,0,1,0,0|0,0,0]=2 478 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N AB28759 [0,1,0,1,0,0|1,0,0]=3 479 B13R2.3683 c1cc2c(cc1F)OCC(C2)N AB56676 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.3683 c1cc2c(cc1O)CCC(=O)C2 MB03486 [0,1,0,1,0,0|0,0,2]=4 481 B13R2.3683 c1cc2c(cc1O)CCC(C2)N AB43907 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.12 CNCCc1cccs1 AB18501 [1,0,0,0,1,0|2,0,0]=4 483 B9R1.12 c1ccn(c1)CCCBr MB00854 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.6 CC(C)c1ccccn1 PB21659 [0,0,0,0,2,0|2,0,0]=4 485 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,2,0|1,0,0]=3 486 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,2,0|2,0,0]=4 487 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,2,0|2,0,0]=4 488 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,2,0|2,0,0]=4 489 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,2,0|2,0,0]=4 490 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,2,0|2,0,0]=4 491 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,2,0|2,0,0]=4 492 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,2,0|2,0,0]=4 493 B13R1.337 c1ccc(cc1)NCCCC(=O)O AB55233 [0,0,0,0,0,2|1,0,1]=4