0 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [1,0,0,0,0,0|0,0,2]=3 1 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 F52878 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 42813 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.643 COC1=CC(CCC(=O)O)=CN=C1 72579 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.643 COC1=CC=CC(C#CC(=O)O)=C1 D86459 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.643 COC1=CC=CC(CCC(=O)O)=N1 72054 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.643 COC1=CC=CC(COC(=O)Cl)=C1 D80875 [1,0,0,0,0,0|2,0,0]=3 11 B15R1.873 O=C(O)CCC1=CC([N+](=O)[O-])=C(O)C=C1 D75882 [0,1,0,0,0,0|3,0,0]=4 12 B15R1.4037 COC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 62461 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.4038 COC1=C(O)C=CC(CC(=O)C(=O)O)=C1 T71582 [0,1,0,0,0,0|1,0,1]=3 14 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 82868 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 D95468 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.4039 COC(=O)CCC1=CC(OC)=C(O)C=C1 T72619 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.5194 COC1=C(C)C(COC(C)=O)=NC=C1C 43840 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 AC7547 [0,1,0,0,0,0|1,0,2]=4 19 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 TD8126 [0,0,0,1,0,0|1,0,2]=4 20 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)CCC2 Y11800 [0,0,0,1,0,0|3,0,0]=4 21 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 C10355 [0,0,0,1,0,0|2,0,0]=3 22 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [0,0,0,0,1,0|2,0,0]=3 23 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [0,0,0,0,1,0|1,0,0]=2 24 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [2,0,0,0,0,0|1,1,0]=4 27 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 32542 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63217 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.382 CCNCC1=CC=CC(OC)=C1 78288 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.382 CNCCC1=CC=CC(OC)=C1 27068 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.382 COC1=CC=CC(CCCBr)=C1 C78405 [2,0,0,0,0,0|1,0,1]=4 36 B14R1.685 CC1=C(Br)C=CC([C@@H](N)CC(=O)O)=C1 Y11900 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.685 CC1=C(C)C=C([C@@H](N)CC(=O)O)C=C1 Y10875 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.685 CC1=C(C)C=C([C@@H](N)CC(=O)O)C=C1 Y12462 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 Y12177 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y11726 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12612 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12614 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61380 [1,1,0,0,0,0|2,0,0]=4 44 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61384 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61386 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O Y11239 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O F21483 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.686 O=C([O-])[C@@H](O)CC1=CC(O)=C(O)C=C1 44339 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.626 CCCC(=O)C1=CC(OC)=C(O)C=C1 D94316 [1,1,0,0,0,0|0,0,2]=4 50 B14R1.626 COC1=C(O)C=CC([C@@H](N)CCO)=C1 62475 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.793 COC1=C(OC)C=C(CCC#N)C=C1 P16956 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.3405 COC(=O)CC1=CC(OC)=C(O)C=C1 D83473 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.74 COC1=CC=CC([C@@H](N)CC(=O)O)=C1 A50491 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.75 COC1=CC=CC(CC(=O)C(=O)O)=C1 C91154 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.376 COC1=CC(CCC(=O)O)=CC(Br)=C1 Y12732 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.2335 CSC1=CC(CCC(=O)O)=C(O)C=C1 W18538 [1,1,0,0,0,0|1,1,0]=4 57 B14R1.6355 CC(=O)CCC1=CC=CC([N+](=O)[O-])=C1 D83802 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(=O)O)=C1 N10762 [0,1,0,0,1,0|2,0,0]=4 59 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(=O)O)=C1 Y12526 [0,1,0,0,1,0|2,0,0]=4 60 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(=O)O)=C1 Y12970 [0,1,0,0,1,0|2,0,0]=4 61 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 60612 [0,1,0,0,1,0|0,0,2]=4 62 B16R1.20040 COC1=CC(Br)=C(CCC(=O)O)C=C1OC C11945 [0,2,0,0,0,0|1,0,0]=3 63 B14R2.4513 O=C1CCC2=C(C1)C(F)=C(F)C=C2 Y11802 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.8239 CN1CCC2=CC(O)=C(O)C=C2C1 D80896 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.8239 O=C1CCC2=CC(Cl)=C(Cl)C=C2C1 Y11803 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.8239 O=C1CCC2=CC(F)=C(Br)C=C2C1 Y14515 [1,0,0,1,0,0|2,0,0]=4 67 B14R2.8239 O=C1CCC2=CC(F)=C(F)C=C2C1 Y11629 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.991 CNNCC1=CC2=C(C=C1)OCO2 30196 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.991 COCOC1=CC2=C(C=C1)OCO2 C12804 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.1128 COC1=C(C)C=C2CCCCC2=C1 Y13178 [1,0,0,1,0,0|1,0,1]=4 71 B14R2.1416 COC1=C(Br)C=C2C(=O)CCC2=C1 F52781 [1,0,0,1,0,0|1,0,0]=3 72 B14R2.1416 COC1=C(F)C=C2C(=O)CCC2=C1 Y10478 [1,0,0,1,0,0|1,0,0]=3 73 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 71771 [1,0,0,1,0,0|0,0,0]=2 74 B14R2.130 COC1=CC=CC(C2CC(=O)C2)=C1 91867 [1,0,0,1,0,0|0,0,0]=2 75 B14R2.2332 COC1=CC2=C(C=C1)CN(C)CC2 F14520 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.2332 COC1=CC2=C(C=C1)C[C@@H](N)CC2 C91698 [1,0,0,1,0,0|1,0,1]=4 77 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 C76042 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.2332 COC1=CC2=C(C=C1)OC(=O)CC2 D94611 [1,0,0,1,0,0|1,0,0]=3 79 B14R2.2332 COC1=NC2=C(C=C1)CC(=O)CC2 84039 [1,0,0,1,0,0|1,0,0]=3 80 B14R2.11684 COC1=C2CC(=O)CCC2=CC=C1 63804 [1,0,0,1,0,0|0,0,0]=2 81 B14R2.11684 COC1=C2C[C@@H](N)CCC2=CC=C1 51932 [1,0,0,1,0,0|1,0,1]=4 82 B14R2.11684 COC1=C2OC(=O)CCC2=CC=C1 Y11652 [1,0,0,1,0,0|1,0,0]=3 83 B16R2.11587 N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 Y11049 [0,1,0,1,0,0|1,0,0]=3 84 B16R2.11587 O=[N+]([O-])C[C@H](O)C1=CC2=C(C=C1)OCO2 AB3053 [0,1,0,1,0,0|2,0,0]=4 85 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)CC2 Y11682 [0,1,0,1,0,0|0,0,0]=2 86 B16R2.36419 COC1=CC2=C(C=C1OC)[C@H](C(=O)O)C2 88612 [0,1,0,1,0,0|1,0,0]=3 87 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [1,0,0,0,1,0|0,0,0]=2 88 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [1,0,0,0,1,0|1,0,0]=3 89 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [1,0,0,0,1,0|2,0,0]=4 90 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 C11184 [1,0,0,0,1,0|2,0,0]=4 91 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 58519 [1,0,0,0,1,0|1,0,1]=4 92 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 71977 [1,0,0,0,1,0|2,0,0]=4 93 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 O10459 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 W17726 [0,0,0,0,2,0|1,0,0]=3 95 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [0,0,0,0,2,0|1,0,0]=3 96 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 AT15468 [0,0,0,0,2,0|2,0,0]=4