0 B15R1.5924 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0265257.0 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.5924 COCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0612159.0 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.61 CCCOCC1=CC(=C(C(=C1)Br)O)O CNP0184012.0 [1,0,0,0,0,0|1,0,1]=3 3 B14R1.923 CCCCC(=O)C1=CC(=CC(=C1)O)O CNP0141041.0 [1,0,0,0,0,0|1,0,0]=2 4 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0276010.0 [1,0,0,0,0,0|0,0,0]=1 5 B16R1.3548 CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0168219.0 [0,1,0,0,0,0|0,0,0]=1 6 B16R1.52957 CC(C)COC(=O)C1=CC(=C(C(=C1)O)O)O CNP0400586.0 [0,1,0,0,0,0|0,0,0]=1 7 B16R1.89785 CCCCC(=O)C1=CC(=C(C(=C1)OC)C)O CNP0317860.0 [0,1,0,0,0,0|2,0,0]=3 8 B16R2.240551 CO[C@@H]1OC(=O)C2=CC(=C(C(=C12)O)C)O CNP0330147.1 [0,0,0,1,0,0|2,0,0]=3 9 B13R1.55 CCCCCC1=CC(=CC(=C1)O)O CNP0301883.0 [2,0,0,0,0,0|1,0,1]=4 10 B13R1.136 CCOCC1=CC(=C(C(=C1)Br)O)O CNP0078433.0 [2,0,0,0,0,0|1,0,1]=4 11 B13R1.136 CNCCC1=CC(=C(C(=C1)O)O)O CNP0426493.0 [2,0,0,0,0,0|1,0,1]=4 12 B13R1.669 COCC=CC1=CC=C(C(=C1)O)O CNP0199050.0 [2,0,0,0,0,0|2,0,0]=4 13 B13R1.18 CCCOC(=O)C1=CC=CC(=C1)N CNP0064197.0 [2,0,0,0,0,0|1,0,0]=3 14 B13R1.450 CCOC(=O)C1=CC(=CC(=C1)O)O CNP0106590.0 [2,0,0,0,0,0|0,0,0]=2 15 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O CNP0598021.0 [2,0,0,0,0,0|1,0,0]=3 16 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)N CNP0112115.0 [2,0,0,0,0,0|1,0,0]=3 17 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O CNP0333884.0 [2,0,0,0,0,0|0,0,0]=2 18 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O CNP0177000.0 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CNP0105691.0 [2,0,0,0,0,0|1,0,0]=3 20 B13R1.466 CCOC(=O)C1=CC(=O)C(=CO1)O CNP0491861.0 [2,0,0,0,0,0|1,0,1]=4 21 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)O)O CNP0317918.0 [2,0,0,0,0,0|0,0,0]=2 22 B13R1.466 CNCC(=O)C1=CC=C(C(=C1)O)O CNP0272151.0 [2,0,0,0,0,0|1,0,0]=3 23 B13R1.466 O=C(CCO)C1=CC=C(C(=C1)O)O CNP0134924.0 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)O)Br CNP0492061.0 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)O)O CNP0266576.0 [2,0,0,0,0,0|1,0,0]=3 26 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Cl)O)Cl CNP0315875.0 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)O)O)O CNP0110273.0 [2,0,0,0,0,0|0,0,0]=2 28 B15R1.50 CCCOCC1=CC(=C(C(=C1Br)Br)O)O CNP0102557.0 [1,1,0,0,0,0|1,0,1]=4 29 B15R1.50 CCCOCC1=CC(=C(C(=C1Br)O)O)Br CNP0078398.0 [1,1,0,0,0,0|1,0,1]=4 30 B15R1.1216 CCCCC(=O)C1=CC(=CC(=C1)OC)O CNP0190688.0 [1,1,0,0,0,0|1,0,0]=3 31 B15R1.1386 CCCCOC(=O)C1=CC(=NC(=N1)O)O CNP0071058.0 [1,1,0,0,0,0|2,0,0]=4 32 B15R1.889 CC(C)NCC(=O)C1=CC=C(C(=C1)O)O CNP0229854.0 [1,1,0,0,0,0|2,0,0]=4 33 B15R1.1243 COC1=CC(=CC=C1O)C(=O)NCCO CNP0169368.0 [1,1,0,0,0,0|2,0,0]=4 34 B15R1.1404 O=C(NCCCO)C1=CC=C(C(=C1)O)O CNP0432506.0 [1,1,0,0,0,0|1,0,0]=3 35 B15R1.28954 CC(C)OC(=O)C1=CC(=C(C(=C1)O)O)O CNP0092993.0 [1,1,0,0,0,0|0,0,0]=2 36 B15R1.36498 CCOC(=O)C1=CC(=C(C(=C1)O)OC)O CNP0333137.0 [1,1,0,0,0,0|0,0,0]=2 37 B17R1.1840 CCCCOC(=O)CC1=CC(=C(C(=C1)Br)O)Br CNP0366086.0 [0,1,0,0,0,1|2,0,0]=4 38 B17R1.59814 CCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0092512.0 [0,2,0,0,0,0|0,0,0]=2 39 B17R1.153059 O=C(OC[C@@H](O)CO)C1=CC(=C(C(=C1)O)O)O CNP0102426.1 [0,2,0,0,0,0|0,0,0]=2 40 B17R1.153059 O=C(OC[C@H](O)CO)C1=CC(=C(C(=C1)O)O)O CNP0102426.2 [0,2,0,0,0,0|0,0,0]=2 41 B15R2.14648 CC1=CC(=C2C(=C1)C(=O)CC[C@H]2C)O CNP0235540.1 [1,0,0,1,0,0|2,0,0]=4 42 B15R2.63633 CC1=CC2=C(C=C1O)[C@@H](CCC2=O)C CNP0334289.1 [1,0,0,1,0,0|2,0,0]=4 43 B15R2.106940 O=C1O[C@H](C2=C1C=CC(=C2O)O)CO CNP0557635.1 [1,0,0,1,0,0|1,0,0]=3 44 B15R2.107168 CC[C@@H]1OC(=O)C2=CC(=C(C=C12)O)O CNP0072967.1 [1,0,0,1,0,0|0,0,0]=2 45 B15R2.53142 CC1OC(=O)C2=CC(=C(C(=C12)O)O)O CNP0259791.0 [1,0,0,1,0,0|0,0,0]=2 46 B17R2.140568 CC[C@H]1OC(=O)C2=C(C(=C(C(=C12)Cl)O)Cl)O CNP0433183.1 [0,1,0,1,0,0|2,0,0]=4 47 B17R2.140568 COC1OC(=O)C2=C(C(=C(C(=C12)C)O)O)O CNP0356690.0 [0,1,0,1,0,0|2,0,0]=4 48 B17R2.140568 COC1OC(=O)C2=C(C(=C(C(=C12)O)O)O)C CNP0356684.0 [0,1,0,1,0,0|1,0,0]=3 49 B17R2.1392605 COC1=C(C(=CC2=C1[C@@H](OC2=O)OC)O)C CNP0476753.1 [0,1,0,1,0,0|2,0,0]=4 50 B17R2.1392604 CO[C@@H]1OC(=O)C2=CC(=C(C(=C12)O)C=O)O CNP0322010.1 [0,1,0,1,0,0|1,0,1]=4