0 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.107 C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N L11313 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 C=CCC(c1ccccc1)O H53466 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.16 C=COC(=O)c1ccccc1 B21805 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.16 CC(c1ccccc1)N=C=S B20011 [1,0,0,0,0,0|1,1,1]=4 13 B11R1.16 CCCC(C)c1ccccc1 B20114 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.16 CCOC(=N)c1ccccc1 L17684 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.16 CCOC(=O)c1ccccc1 44283 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.16 CCOC(=O)c1ccccc1 A13057 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.16 CNCC(c1ccccc1)O L08111 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.16 C[C@@H](c1ccccc1)N=C=O L11141 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.16 C[C@@H](c1ccccc1)N=C=S L19986 [1,0,0,0,0,0|1,1,1]=4 22 B11R1.16 C[C@H](c1ccccc1)N=C=O L10305 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.16 C[C@H](c1ccccc1)N=C=S L20315 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.91 CC(=C)COc1ccccc1 B22369 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 CC(=N)SCc1ccccc1 H51844 [1,0,0,0,0,0|1,1,0]=3 26 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.91 CC(=O)CCc1ccccc1 B22777 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.91 CC(=O)NCc1cccnc1 B21862 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.91 CC(=O)NNc1ccccc1 A14446 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 CC(=O)OCc1ccccc1 B23472 [1,0,0,0,0,0|0,0,0]=1 31 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.91 CC(C)NCc1ccccc1 B23243 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 CC(CCc1ccccc1)N A18804 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.91 CC(CCc1ccccc1)O L05970 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [1,0,0,0,0,0|1,0,2]=4 36 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [1,0,0,0,0,0|2,1,0]=4 44 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [1,0,0,0,0,0|2,1,0]=4 47 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.91 c1cnccc1CCC(=O)O H58655 [1,0,0,0,0,0|3,0,0]=4 57 B13R1.11 C[C@H](c1ccccc1)NC(=O)CCl H50740 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br H52372 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl L19798 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.132 c1cc(ccc1C(CC(=O)O)N)F L19799 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.147 c1cc(cc(c1)Cl)C(CC(=O)O)N L19797 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N H52089 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.201 Cc1ccccc1[C@H](CC(=O)O)N H52039 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl L19796 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Br H52044 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)F H52046 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 A14085 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.10 c1ccc(cc1)C2=NCC(=O)O2 L00194 [0,0,0,1,0,0|1,0,1]=3 69 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 B24364 [0,0,0,1,0,0|0,0,0]=1 70 B13R2.10 c1ccc(cc1)N2CCC(=N2)N L06476 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.10 c1ccc(cc1)N2CCC(=O)N2 A12089 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 H27171 [0,0,0,1,0,0|2,0,0]=3 73 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 H27306 [0,0,0,1,0,0|2,0,0]=3 74 B13R2.328 Cc1cc(nc2c1cccc2)C L08348 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,0,0,1,0,0|1,0,1]=3 76 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,0,0,1,0,0|2,0,1]=4 77 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,0,0,0,1,0|2,0,0]=3 78 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,0,0,0,1,0|2,0,1]=4 79 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,0,0,0,1,0|1,0,0]=2 80 B11R1.36 CC(c1ccccc1)N(C)C A17989 [0,0,0,0,1,0|2,0,0]=3 81 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [0,0,0,0,1,0|2,1,0]=4 82 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,0,0,0,1,0|1,0,0]=2 83 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,0,0,0,1,0|1,0,0]=2 84 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,0,0,0,1,0|2,0,1]=4 85 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,0,0,0,1,0|2,0,0]=3 86 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,0,0,0,1,0|2,0,0]=3 87 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,0,0,0,1,0|2,0,0]=3 90 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,0,0,0,1,0|2,0,0]=3 91 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,0,0,0,1,0|2,0,0]=3 93 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,0,0,0,1,0|2,0,0]=3 94 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,0,0,0,1,0|2,0,0]=3 96 B13R1.45 CC(=O)CCC(=O)c1ccccc1 L13151 [0,0,0,0,0,1|2,0,1]=4 97 B13R1.45 CC(=O)OCC(=O)c1ccccc1 L15652 [0,0,0,0,0,1|1,0,1]=3 98 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,0,0,0,0,1|2,0,1]=4 99 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [0,0,0,0,0,1|2,0,1]=4 100 B10R1.15 CC(C#N)c1ccccc1 A13636 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.15 CC(C=O)c1ccccc1 B22436 [2,0,0,0,0,0|0,0,0]=2 102 B10R1.15 CC(CBr)c1ccccc1 L16267 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.15 CC(CN)c1ccccc1 H36338 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.15 CC(CO)c1ccccc1 B23473 [2,0,0,0,0,0|0,0,2]=4 105 B10R1.15 CCC(C)c1ccccc1 B22962 [2,0,0,0,0,0|0,0,1]=3 106 B10R1.15 CCC(c1ccccc1)O A10830 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.15 CC[C@H](c1ccccc1)N L16319 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.15 CC[C@H](c1ccccc1)O L05681 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.15 CN(C=O)c1ccccc1 A11829 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.15 COC(=O)c1ccccc1 44368 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.15 COC(=O)c1ccccc1 A12404 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [2,0,0,0,0,0|0,0,2]=4 115 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [2,0,0,0,0,0|0,0,2]=4 116 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.17 CCCCc1ccccc1 A10910 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.17 CCNCc1ccccc1 L05651 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.17 c1ccc(cc1)CCC=O A10367 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.17 c1ccc(cc1)CN=C=O L02633 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.17 c1ccc(cc1)CNC=O B23722 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.17 c1ccc(cc1)COC=O L13405 [2,0,0,0,0,0|0,0,0]=2 123 B10R1.17 c1ccc(cc1)COCCl H60207 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [2,0,0,0,0,0|1,0,1]=4 125 B12R1.3 CC[C@@H](c1ccccc1)N=C=O L20246 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.3 CC[C@H](c1ccccc1)N=C=O L20355 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.16 CC(c1ccc(cc1)Br)N=C=O L11836 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O L20322 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=O L20227 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.16 C[C@@H](c1ccc(cc1)F)N=C=O L20231 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=O L20226 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.16 C[C@H](c1ccc(cc1)F)N=C=O L20230 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.30 CC(c1ccccc1)NCCO H50261 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.39 CC(CC=C)(c1ccccc1)O B20248 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.39 CCCC(C)(c1ccccc1)O B20854 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.21 CC(=O)CSc1ccc(cc1)F B20094 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl L05321 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.21 Cc1ccc(cc1)CCC(=O)O A14513 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.21 Cc1ccc(cc1)SCC(=O)C B20247 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.21 c1cc(ccc1CCC(=O)O)Br H26785 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.21 c1cc(ccc1CCC(=O)O)F L17008 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.21 c1cc(ccc1CCC(=O)O)N L19330 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.21 c1cc(ccc1CCC(=O)O)O A14567 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.21 c1cc(ccc1CNC(=O)N)F A12865 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.27 C=CC(=O)NCc1ccccc1 L11450 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.27 C=CC(=O)OCc1ccccc1 43204 [1,1,0,0,0,0|0,0,1]=3 151 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [1,1,0,0,0,0|0,0,0]=2 152 B12R1.27 COC(=O)C#Cc1ccccc1 B24587 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.27 COC(=O)CCc1ccccc1 L05310 [1,1,0,0,0,0|1,0,0]=3 154 B12R1.27 COC(=O)CCc1cccnc1 L14590 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.27 COC(=O)CSc1ccccc1 L12649 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [1,1,0,0,0,0|0,0,0]=2 159 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [1,1,0,0,0,0|0,0,0]=2 160 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.43 c1ccc(cc1)CC(C(=O)O)N A10132 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N A13238 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N A10572 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [1,1,0,0,0,0|1,0,0]=3 174 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.226 CC(=O)\C=C\c1cccc(c1)Cl A10332 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.226 Cc1cccc(c1)CCC(=O)O H34395 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O L18080 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O H33266 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.226 c1cc(cc(c1)F)CCC(=O)O H27847 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.226 c1cc(cc(c1)N)CCC(=O)O L19329 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.226 c1cc(cc(c1)O)CCC(=O)O L01279 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O L06020 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.20 CC(c1ccc(cc1)O)C(=O)O B24938 [0,1,0,0,1,0|1,0,0]=3 188 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl H60141 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.20 c1cc(ccc1C(C(=O)O)Br)F H66692 [0,1,0,0,1,0|2,0,0]=4 191 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br H33865 [0,1,0,0,1,0|2,0,0]=4 192 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl H59921 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.20 c1cc(ccc1C(C(=O)O)N)F L18932 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br A12978 [0,1,0,0,1,0|2,0,0]=4 195 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,1,0,0,1,0|2,0,0]=4 196 B12R1.20 c1cc(ccc1C(C(=O)O)O)F A13391 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F H61495 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O L07190 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.124 CC(=O)N(C)c1ccccc1Cl B25282 [0,1,0,0,1,0|1,0,0]=3 201 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl B25518 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl B21525 [0,1,0,0,1,0|2,0,0]=4 203 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F B25689 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl H61152 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl L19586 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O B24937 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.253 CC(C)(c1ccccc1)C(=O)O 32884 [0,1,0,0,1,0|1,0,0]=3 208 B12R1.253 CC(c1ccccc1)(C(=O)O)O L07851 [0,1,0,0,1,0|1,0,0]=3 209 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O L08644 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O L08692 [0,1,0,0,1,0|1,0,0]=3 211 B12R1.253 c1ccc(cc1)C(C(=O)O)(F)F H26028 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.478 CCC(c1ccccc1)C(=O)Cl B22997 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.478 CCC(c1ccccc1)C(=O)N A18501 [0,1,0,0,1,0|1,0,0]=3 214 B12R1.478 CCC(c1ccccc1)C(=O)O B23222 [0,1,0,0,1,0|1,0,0]=3 215 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O L12754 [0,1,0,0,1,0|1,0,0]=3 216 B12R1.478 CC[C@H](c1ccccc1)C(=O)O L09464 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.478 CN(C)C(CN)c1ccccc1 H50291 [0,1,0,0,1,0|2,0,0]=4 218 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O L08748 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.478 CO[C@H](c1ccccc1)C(=O)O L08719 [0,1,0,0,1,0|1,0,0]=3 220 B12R1.478 c1ccc(cc1)C(CO)C(=O)O B22040 [0,1,0,0,1,0|1,0,0]=3 221 B14R1.29 CCOC(=O)CC(c1ccccc1)O H65708 [0,2,0,0,0,0|2,0,0]=4 222 B12R2.1081 CC1c2ccccc2CCN1 H64191 [1,0,0,1,0,0|1,0,1]=4 223 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [1,0,0,1,0,0|1,0,1]=4 224 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [1,0,0,1,0,0|1,0,0]=3 226 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,0,0,1,1,0|1,0,0]=3 230 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,0,0,1,1,0|1,0,1]=4 231 B14R2.68 c1ccc(cc1)C2CCC(=O)CC2 L08614 [0,0,0,1,0,1|1,0,0]=3 232 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 A13426 [0,0,0,1,0,1|2,0,0]=4 233 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=O)N2 A16770 [0,0,0,1,0,1|2,0,0]=4 234 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 A18236 [0,0,0,1,0,1|2,0,0]=4 235 B14R2.598 c1ccc(cc1)C2CC(=O)OC2=O B24418 [0,0,0,1,0,1|1,0,1]=4 236 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O L10700 [0,0,0,1,0,1|2,0,0]=4 237 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O B24099 [0,1,0,1,0,0|1,0,1]=4 238 B14R2.450 Cc1c2ccccc2sc1C(=O)C B20967 [0,1,0,1,0,0|1,0,1]=4 239 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 L11873 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 L04932 [0,1,0,1,0,0|0,0,2]=4 241 B14R2.2 CC(=O)Oc1coc2c1cccc2 L13126 [0,1,0,1,0,0|0,0,2]=4 242 B14R2.2 c1ccc2c(c1)CCC2CC(=O)O H66601 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,0,0,0,1,0|1,0,0]=3 244 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [1,0,0,0,1,0|1,0,0]=3 245 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [1,0,0,0,1,0|1,0,0]=3 246 B10R1.18 CC(=O)Cc1ccncc1 L18667 [1,0,0,0,1,0|1,0,0]=3 247 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,0,0,0,1,0|1,0,0]=3 248 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,0,0,0,1,0|0,0,0]=2 249 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,0,0,0,1,0|0,0,0]=2 250 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,0,0,0,1,0|0,1,0]=3 251 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,0,0,0,1,0|2,0,0]=4 252 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,0,0,0,1,0|1,1,0]=4 253 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,0,0,0,1,0|2,0,0]=4 254 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [1,0,0,0,1,0|2,0,0]=4 255 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,0,0,0,1,0|1,0,0]=3 256 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,0,0,0,1,0|1,0,0]=3 257 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,0,0,0,1,0|1,0,0]=3 258 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,0,0,0,1,0|1,1,0]=4 259 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,0,0,0,1,0|2,0,0]=4 260 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [1,0,0,0,1,0|1,0,0]=3 261 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,0,0,0,1,0|1,0,0]=3 262 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [1,0,0,0,1,0|1,1,0]=4 263 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,0,0,0,1,0|2,0,0]=4 264 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [1,0,0,0,1,0|2,0,0]=4 265 B10R1.18 c1cnccc1CC(=O)N B24734 [1,0,0,0,1,0|2,0,0]=4 266 B10R1.18 c1cnccc1CC(=O)O A14348 [1,0,0,0,1,0|2,0,0]=4 267 B10R1.66 CC(=O)OCc1ccco1 A15285 [1,0,0,0,1,0|1,0,0]=3 268 B10R1.66 CC(=O)SCc1ccco1 B21821 [1,0,0,0,1,0|1,1,0]=4 269 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [1,0,0,0,0,1|0,1,0]=3 270 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [1,0,0,0,0,1|0,0,0]=2 271 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [1,0,0,0,0,1|0,0,2]=4 272 B12R1.252 c1ccc(cc1)CCCC(=O)Cl H50388 [1,0,0,0,0,1|2,0,0]=4 273 B12R1.252 c1ccc(cc1)CCCC(=O)O A18115 [1,0,0,0,0,1|2,0,0]=4 274 B12R1.252 c1ccc(cc1)CNCC(=O)O L15200 [1,0,0,0,0,1|2,0,0]=4 275 B12R1.252 c1ccc(cc1)CNCC(=O)O L15368 [1,0,0,0,0,1|2,0,0]=4 276 B12R1.252 c1ccc(cc1)COCC(=O)Cl L14337 [1,0,0,0,0,1|1,0,0]=3 277 B12R1.252 c1ccc(cc1)COCC(=O)O H54581 [1,0,0,0,0,1|1,0,0]=3 278 B12R1.252 c1ccc(cc1)CSCC(=O)O A18698 [1,0,0,0,0,1|1,1,0]=4 279 B12R1.252 c1ccc(cc1)OCCC(=O)O A17842 [1,0,0,0,0,1|2,0,0]=4