0 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O Y14572 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.133 N[C@@H](CC1=CN=C(F)C=C1)C(=O)O F16922 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.133 N[C@@H](CC1=NC=C(O)C=C1)C(=O)O D76120 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 95698 [0,1,0,0,0,0|0,0,2]=3 8 B13R1.148 CC(C)C(=O)CC1=CC(N)=CC=C1 D75586 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.148 CC1=CC=CC(CC(=O)C(=O)O)=C1 C92166 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O AT21380 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O AT21393 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O AT10108 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.152 NC(=O)C(O)C(N)C1=CC=CC=C1 86836 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O D76748 [0,1,0,0,0,0|0,0,2]=3 15 B13R1.202 CC1=C(CC(=O)C(=O)O)C=CC=C1 C92179 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.202 O=C(O)C(=O)CC1=C(F)C=CC=C1 C91157 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.202 O=C(O)[C@@H](Br)CC1=C(Cl)C=CC=C1 D75953 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 W18645 [0,1,0,0,0,0|0,0,2]=3 19 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O D78560 [0,1,0,0,0,0|0,0,2]=3 20 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 AT10245 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=NC=C2 F52504 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)S1 CS1872 [0,0,0,1,0,0|2,1,0]=4 24 B13R2.435 O=C(O)C1=NC2=CC=CN=C2S1 P12275 [0,0,0,1,0,0|2,1,0]=4 25 B13R2.435 O=C(O)[C@H]1CC2=C(C1)N=CC=C2 AT25950 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.35 N[C@@H](CC1=CC=CN1)C(=O)O 67419 [0,0,0,0,1,0|2,0,1]=4 27 B11R1.35 N[C@@H](CN1C=CC=C1)C(=O)O E73051 [0,0,0,0,1,0|2,0,1]=4 28 B11R1.36 C[C@@H](C(=O)O)C1=NC=CC=C1 W18289 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23446 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23447 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O D85994 [0,0,0,0,0,1|1,0,1]=3 32 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [0,0,0,0,0,1|0,0,0]=1 33 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 D74777 [1,1,0,0,0,0|0,0,1]=3 40 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 75062 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [0,1,0,0,1,0|1,0,1]=4 44 B12R1.20 CC1=CC=C([C@@H](F)C(=O)O)C=C1 AC9335 [0,1,0,0,1,0|1,0,1]=4 45 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [0,1,0,0,1,0|1,0,1]=4 46 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [0,1,0,0,1,0|1,0,1]=4 47 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [0,1,0,0,1,0|1,0,1]=4 48 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 N14372 [0,1,0,0,1,0|1,0,1]=4 49 B12R1.124 CC1=C([C@@H](F)C(=O)O)C=CC=C1 AC9472 [0,1,0,0,1,0|1,0,1]=4 50 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25205 [0,1,0,0,1,0|1,0,1]=4 51 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25208 [0,1,0,0,1,0|1,0,1]=4 52 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25209 [0,1,0,0,1,0|1,0,1]=4 53 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 C77056 [0,1,0,0,1,0|1,0,1]=4 54 B12R1.478 C\C=C(/C(=O)Cl)C1=CC=CC=C1 AT22362 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.478 C\C=C(\C(=O)Cl)C1=CC=CC=C1 AT22361 [0,1,0,0,1,0|2,0,0]=4 56 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 AC3565 [0,1,0,0,0,1|1,0,1]=4 57 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 AC3578 [0,1,0,0,0,1|1,0,1]=4 58 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 AC3566 [0,1,0,0,0,1|1,0,1]=4 59 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 AC3575 [0,1,0,0,0,1|1,0,1]=4 60 B14R1.337 N[C@@H](CC(=O)O)CC1=C(O)C=CC=C1 AC4115 [0,1,0,0,0,1|1,0,1]=4 61 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 AC6182 [0,1,0,0,0,1|1,0,1]=4 62 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 AC3569 [0,1,0,0,0,1|1,0,1]=4 63 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 AC6608 [0,1,0,0,0,1|1,0,1]=4 64 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 AC4113 [0,1,0,0,0,1|1,0,1]=4 65 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 FD10308 [0,1,0,0,0,1|1,0,1]=4 66 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC(O)=CC=C1 AC3985 [0,1,0,0,0,1|1,0,1]=4 67 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 AC7261 [0,1,0,0,0,1|1,0,1]=4 68 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 AC3585 [0,1,0,0,0,1|1,0,1]=4 69 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 AC3118 [0,1,0,0,0,1|1,0,1]=4 70 B14R1.3 CSC1=CC=C(C[C@H](N)C(=O)O)C=C1 D74869 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O A11473 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O N14380 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.686 NC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y14756 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.686 O=C(O)C(=O)CC1=CC(F)=C(F)C=C1 C91209 [0,2,0,0,0,0|0,0,0]=2 75 B14R1.6049 NC1=C(C[C@H](N)C(=O)O)C=CC(F)=C1 Y11484 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.6049 O=C(O)C(=O)CC1=C(F)C=C(F)C=C1 C91208 [0,2,0,0,0,0|0,0,0]=2 77 B14R1.6049 O=C(O)[C@@H](O)CC1=C(Cl)C=C(Cl)C=C1 D75513 [0,2,0,0,0,0|0,0,2]=4 78 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 F19535 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.1007 COC(=O)[C@@H](Br)CC1=C(Cl)C=CC=C1 D75954 [0,2,0,0,0,0|1,0,1]=4 80 B14R1.1007 COC(=O)[C@@H](N)CC1=C(C)C=CC=C1 D74765 [0,2,0,0,0,0|1,0,1]=4 81 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O E72748 [0,2,0,0,0,0|1,0,1]=4 82 B14R1.4257 N[C@@H](CC1=CC(O)=CC(O)=C1)C(=O)O N14722 [0,2,0,0,0,0|1,0,1]=4 83 B14R1.4257 O=C(O)C(=O)CC1=CC(F)=CC(F)=C1 C91211 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.4474 N[C@@H](CC1=C(Cl)C=CC(O)=C1)C(=O)O AT15819 [0,2,0,0,0,0|1,0,1]=4 85 B14R1.6306 [2H]C([2H])(C1=CC=CC=C1)[C@H](N)C(=O)O D99453 [0,2,0,0,0,0|1,0,1]=4 86 B14R1.5971 CC1=CC=CC(C)=C1C[C@H](N)C(=O)O N13198 [0,2,0,0,0,0|1,0,1]=4 87 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O C14907 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.790 O=C(O)C[C@H]1C[C@@H]1C2=CC=CC=C2 E73141 [0,0,0,1,0,1|1,0,1]=4 91 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)CC1 AT23526 [0,0,0,1,0,1|1,0,0]=3 92 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 C16002 [0,0,0,1,0,1|1,0,1]=4 93 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)N1 F12435 [0,0,0,1,0,1|1,0,1]=4 94 B14R2.9535 N[C@]1(C(=O)O)COC2=C1C=CC=C2 93759 [0,0,0,1,0,1|1,0,1]=4 95 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9626 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9675 [0,1,0,1,0,0|1,0,1]=4 97 B14R2.4402 CC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22295 [0,1,0,1,0,0|1,0,1]=4 98 B14R2.4402 NC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22288 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Br)C=C2 AT22286 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AT22284 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(F)C=C2 AT22282 [0,1,0,1,0,0|1,0,1]=4 102 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96592 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.4529 O=C(O)C1=CC2=C(C=CC(I)=C2)N1 AT23463 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)O1 D82375 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.4529 O=C(O)[C@@H]1CC2=C(C=CC(F)=C2)O1 D86147 [0,1,0,1,0,0|0,0,2]=4 106 B14R2.4476 CC1=CC=CC([C@H]2C[C@H]2C(=O)O)=C1 AT22296 [0,1,0,1,0,0|1,0,1]=4 107 B14R2.4476 NC1=CC=CC([C@H]2C[C@H]2C(=O)O)=C1 AT22287 [0,1,0,1,0,0|1,0,1]=4 108 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(Br)=C2 AT22285 [0,1,0,1,0,0|1,0,1]=4 109 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AT22283 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(F)=C2 AT22281 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Br)=C2 AC8132 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 58113 [0,1,0,1,0,0|1,0,1]=4 113 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 AC8127 [0,1,0,1,0,0|1,0,1]=4 114 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 AC9143 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.7969 O=C(O)[C@H]1CC2=CC=CC(Br)=C2C1 AT10112 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.28472 CC1=CC=CC2=C1NC(=O)C(=O)N2 F31282 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 CS1323 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.9520 O=C(O)[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23660 [0,1,0,1,0,0|1,0,1]=4 119 B14R2.9520 O=C(O)[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23661 [0,1,0,1,0,0|1,0,1]=4 120 B14R2.5443 CC1=C([C@H]2C[C@@H]2C(=O)O)C=CC=C1 AC8631 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.5443 CC1=C([C@H]2C[C@@H]2C(=O)O)C=CC=C1 AC9524 [0,1,0,1,0,0|1,0,1]=4 122 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Br)C=CC=C2 AC8825 [0,1,0,1,0,0|1,0,1]=4 123 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC8361 [0,1,0,1,0,0|1,0,1]=4 124 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC9690 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.23 CC(=O)C(=O)C1=CSC=C1 AC9698 [0,0,0,0,2,0|2,0,0]=4 126 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 78619 [0,0,0,0,0,2|0,0,2]=4