0 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O 21218 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.160 NC1=C(C(=O)NCC(=O)O)C=CC=C1 10652 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 01175 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 01176 [1,0,0,0,0,0|1,0,1]=3 4 B15R1.5793 NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1 21145 [0,1,0,0,0,0|1,0,0]=2 5 B15R1.5793 NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1 21748 [0,1,0,0,0,0|1,0,0]=2 6 B15R1.5793 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1 21798 [0,1,0,0,0,0|1,0,0]=2 7 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 21336 [0,0,0,1,0,0|3,0,0]=4 8 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 21845 [0,0,0,1,0,0|2,0,0]=3 9 B15R2.6 O=C(O)CCN1N=NC2=C1C=CC=C2 17190 [0,0,0,1,0,0|3,0,0]=4 10 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 15618 [0,0,0,0,1,0|2,0,1]=4 11 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 15617 [0,0,0,0,1,0|2,0,1]=4 12 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 15428 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 15550 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 15218 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.201 N[C@H](CC(=O)O)C1=C(Br)C=CC=C1 15560 [0,0,0,0,1,0|2,0,1]=4 16 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 15549 [0,0,0,0,1,0|2,0,1]=4 17 B13R1.201 N[C@H](CC(=O)O)C1=C(F)C=CC=C1 15216 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.201 N[C@H](CC(=O)O)C1=C(O)C=CC=C1 15647 [0,0,0,0,1,0|1,0,1]=3 19 B12R1.30 CCCCC(=O)C1=CC=CC=C1 30357 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 25909 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.252 O=C(O)CCCC1=CC=CC=C1 30722 [2,0,0,0,0,0|0,0,1]=3 22 B12R1.252 O=C(O)CNCC1=CC=CC=C1 05637 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.252 O=C(O)CNCC1=CC=CC=C1 17126 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 O=C(O)COCC1=CC=CC=C1 28313 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 22384 [2,0,0,0,0,0|0,0,1]=3 26 B14R1.149 CC1=CC(C(=O)NCC(=O)O)=CC=C1 21228 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O 03018 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 03017 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 21219 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.678 CC1=CC=C(C(=O)\C=C\C(=O)O)C=C1 26071 [1,1,0,0,0,0|0,0,2]=4 31 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 24654 [1,1,0,0,0,0|0,0,0]=2 32 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 24857 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 09717 [1,1,0,0,0,0|1,0,0]=3 34 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O 15290 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O 15338 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 15513 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 15266 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F 15505 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.337 N[C@H](CC(=O)O)CC1=C(Br)C=CC=C1 15512 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F 15259 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 15632 [0,1,0,0,1,0|1,0,1]=4 42 B16R1.7413 CC(NC(=O)NC1=C(Cl)C=CC=C1)C(=O)O 23972 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 26065 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 20900 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 17793 [1,0,0,1,0,0|1,0,1]=4 46 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 18196 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 18442 [1,0,0,1,0,0|1,0,1]=4 48 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 18444 [1,0,0,1,0,0|2,0,0]=4 49 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 17781 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 18324 [1,0,0,1,0,0|1,0,1]=4 51 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 00188 [0,0,0,1,1,0|2,0,0]=4 52 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 27749 [0,0,0,1,1,0|1,0,1]=4 53 B16R2.3989 O=C(O)CC1CC2=CC=CC=C2NC1=O 23877 [0,0,0,1,0,1|1,0,0]=3 54 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O 25975 [0,0,0,1,0,1|0,1,0]=3 55 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 00187 [0,0,0,1,0,1|2,0,0]=4 56 B16R2.16183 O=C(O)CN1C(=O)C2=C(C=CC=C2)C1=O 12168 [0,1,0,1,0,0|1,0,1]=4 57 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O 00483 [0,1,0,1,0,0|2,0,0]=4 58 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O 00300 [0,1,0,1,0,0|2,0,0]=4 59 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O 33068 [0,1,0,1,0,0|2,0,0]=4 60 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O 04077 [0,1,0,1,0,0|1,1,0]=4 61 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O 00302 [0,1,0,1,0,0|2,0,0]=4 62 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O 04078 [0,1,0,1,0,0|1,1,0]=4 63 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 21729 [0,1,0,1,0,0|2,0,0]=4 64 B16R2.23501 CC1=CC2=C(C=C1)OC(C(=O)O)=CC2=O 24691 [0,1,0,1,0,0|0,0,2]=4 65 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 25999 [0,1,0,1,0,0|0,0,2]=4 66 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Cl)=C2)O1 28427 [0,1,0,1,0,0|0,0,2]=4 67 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(F)=CC=C2O1 26001 [0,1,0,1,0,0|0,0,2]=4 68 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 25745 [1,0,0,0,1,0|1,0,0]=3 69 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 02274 [1,0,0,0,1,0|1,0,0]=3 70 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 29996 [1,0,0,0,1,0|1,0,1]=4 71 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 15326 [1,0,0,0,1,0|1,0,1]=4 72 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 15327 [1,0,0,0,1,0|1,0,1]=4 73 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [1,0,0,0,1,0|0,0,0]=2