0 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 D54780 [1,0,0,0,0,0|2,0,0]=3 1 B13R1.511 O=C(O)CCC1=CC(Br)=C(F)C=C1 B51584 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Cl)C=C1 D51599 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 B32283 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.575 CCOCC1=CC(OC)=C(O)C=C1 E53096 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 M37285 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 M68987 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.643 N#CC1=CC=CC(CCC(=O)O)=C1 C38992 [1,0,0,0,0,0|3,0,0]=4 8 B15R1.873 O=C(O)CCC1=CC([N+](=O)[O-])=C(O)C=C1 H63319 [0,1,0,0,0,0|3,0,0]=4 9 B15R1.5194 COC1=C(C)C(COC(C)=O)=NC=C1C M54893 [0,1,0,0,0,0|3,0,0]=4 10 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 D39655 [0,1,0,0,0,0|1,0,0]=2 11 B15R2.7688 O=C(O)C=CC1=CC2=C(C=C1)OCO2 B39641 [0,0,0,1,0,0|1,0,2]=4 12 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 D67102 [0,0,0,1,0,0|2,0,0]=3 13 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [0,0,0,0,1,0|2,0,0]=3 14 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [2,0,0,0,0,0|0,0,2]=4 15 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.382 CCNCC1=CC=CC(OC)=C1 M53138 [2,0,0,0,0,0|1,0,1]=4 26 B14R1.685 CC1=C(C)C=C([C@H](N)CC(=O)O)C=C1 A55511 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.686 NC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 A52140 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O A69186 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.3653 COC1=C(Cl)C=C(CCC(=O)O)C=C1 C52661 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.3653 COC1=C(F)C=C(CCC(=O)O)C=C1 F63025 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.74 COC1=CC=CC([C@@H](N)CC(=O)O)=C1 A52982 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 M52977 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52986 [1,1,0,0,0,0|1,0,0]=3 34 B14R1.2335 CSC1=CC(CCC(=O)O)=C(O)C=C1 H67028 [1,1,0,0,0,0|1,1,0]=4 35 B14R1.41 COC1=C(F)C=CC([C@H](N)C(=O)O)=C1 A52081 [0,1,0,0,1,0|2,0,0]=4 36 B14R1.705 CC(=O)NC1=CC(C(C)=O)=C(O)C=C1 A52591 [0,1,0,0,1,0|2,0,0]=4 37 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [0,1,0,0,1,0|2,0,0]=4 38 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,1,0,0,1,0|1,0,0]=3 39 B16R1.20040 COC1=CC(Br)=C(CCC(=O)O)C=C1OC B64124 [0,2,0,0,0,0|1,0,0]=3 40 B16R1.4273 COC1=C(OC)C=C([C@@H](N)CC(=O)O)C=C1 A54898 [0,2,0,0,0,0|1,0,0]=3 41 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54897 [0,2,0,0,0,0|1,0,0]=3 42 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54899 [0,2,0,0,0,0|1,0,0]=3 43 B14R2.8239 O=C1CCC2=CC(Cl)=C(Cl)C=C2C1 D64117 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.991 COCOC1=CC2=C(C=C1)OCO2 M66809 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 H52574 [1,0,0,1,0,0|1,0,1]=4 46 B14R2.1416 COC1=C(F)C=C2C(=O)CCC2=C1 F54005 [1,0,0,1,0,0|1,0,0]=3 47 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 M52570 [1,0,0,1,0,0|1,0,0]=3 48 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 M51825 [1,0,0,1,0,0|2,0,0]=4 49 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CS2 M61788 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.1008 O=C(Cl)OC1=CC2=C(C=C1)OCO2 B47823 [0,0,0,1,1,0|2,0,0]=4 51 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 D65567 [0,0,0,1,1,0|2,0,0]=4 52 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 B67866 [0,0,0,1,1,0|1,0,0]=3 53 B16R2.38127 COC1=CC2=C(C=C1N)N(C(C)=O)CC2 A54704 [0,0,0,1,0,1|1,0,0]=3 54 B16R2.24931 O=C(O)CCC1=CC(Br)=C2OCCC2=C1 B67094 [0,1,0,1,0,0|2,0,0]=4 55 B16R2.11587 N[C@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 A54116 [0,1,0,1,0,0|1,0,0]=3 56 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)CC2 D64121 [0,1,0,1,0,0|0,0,0]=2 57 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 C48957 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [1,0,0,0,1,0|2,0,0]=4 59 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [1,0,0,0,1,0|2,0,0]=4 61 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 X65528 [1,0,0,0,1,0|2,0,0]=4 62 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [1,0,0,0,1,0|1,0,0]=3 63 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [1,0,0,0,1,0|0,0,0]=2 64 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 M49335 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [0,0,0,0,2,0|2,0,0]=4 67 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [0,0,0,0,2,0|2,0,0]=4 68 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [0,0,0,0,2,0|2,0,0]=4 69 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [0,0,0,0,2,0|2,0,0]=4 70 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [0,0,0,0,2,0|2,0,0]=4