0 B14R1.863 CCC1=CC=CC=C1OCC(O)CO S749478 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.863 COC1=CC=CC=C1NCC(O)CO PH007756 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.84 COC1=C(C=CC=C1)NCCC#N PH000221 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.84 COC1=C(C=CC=C1)OCCCBr PH000249 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.84 COC1=CC=CC=C1OCCCN VBP00013 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.84 O=CC1=CC=CC=C1OCCCBr PH000462 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.90 CC(C)COC1=CC=CC=C1C=O CDS020892 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.90 CCC1=CC=CC=C1OCC(=O)O OTV000239 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.90 COC1=C(C=CC=C1)OCC(C)O PH011169 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.90 COC1=CC=CC=C1CCC(C)N PH018528 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.90 COC1=CC=CC=C1NCC(=O)O T109304 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.90 COC1=CC=CC=C1OCC(=N)N CBR01209 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.528 CC1=C(C=CC=C1)OCC(O)CO S423300 [1,0,0,0,0,0|0,0,0]=1 13 B13R1.528 CC1=CC=CC=C1OC/C(=N/O)/N PH012692 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.528 CC1=CC=CC=C1OCC(O)CN CDS016319 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.528 CC1=NC=CN=C1OCC(O)CO PH007330 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.528 NC1=CC=CC=C1SCC(O)CCl PH013387 [1,0,0,0,0,0|2,1,0]=4 17 B13R1.528 OCC(O)COC1=CC=CC=C1Cl S752185 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.528 OCC(O)COC1=CC=CC=C1F S751871 [1,0,0,0,0,0|1,0,0]=2 19 B15R1.273 CCOC1=CC=CC=C1OCC(O)CO PH002763 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.1108 O=[N+]([O-])C1=CC=CC=C1NCC(O)CO S803545 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.1601 CNC(C)C1COC2=CC=CC=C2O1 CBR02238 [0,0,0,1,0,0|3,0,0]=4 22 B13R1.91 CNC(C)CC1=C(C=CC=C1)OC PH011732 [0,0,0,0,1,0|3,0,0]=4 23 B13R1.91 COC1=C(C=CC=C1)CC(O)CO PH008230 [0,0,0,0,1,0|0,0,0]=1 24 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.121 CCC1=CC=CC=C1NCCO S361496 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.121 CCCOC1=CC=CC=C1CO CDS022874 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.121 COC1=C(C=CC=C1)CCCO S97595 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.121 COC1=C(C=CC=C1)OCCN CDS000191 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.121 COC1=C(C=CC=C1)OCCN PH009790 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.121 COC1=CC=CC=C1CCCBr PH009801 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.121 COC1=CC=CC=C1CCCN CDS008328 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.121 COC1=CC=CC=C1OCCCl R549363 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.121 O=CC1=C(C=CC=C1)OCCO CDS000425 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.267 BrCCCOC1=C(C=CC=C1)Br PH011151 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.267 CC1=CC=CC=C1OCCCBr PH000372 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.267 CNCCOC1=CC=CC=C1C PH012062 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.267 ClC1=C(C=CC=C1)OCCCBr PH000248 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [2,0,0,0,0,0|1,1,0]=4 44 B12R1.27 OCC(O)COC1=CN=CC=C1 PH008942 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [2,0,0,0,0,0|0,1,0]=3 46 B14R1.96 CCC1=CC=CC=C1OCCC(=O)O PH000504 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.96 COC1=CC=CC=C1CCCC(=O)O R245194 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.476 COC1=CC=CC=C1OCCCC#N PH000531 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.904 CCOC1=C(C=CC=C1)OCCCN PH002930 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.482 CCOC1=CC=CC=C1OCC(=O)O PH000331 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.840 COC1=CC=CC=C1C(O)CC(C)C PH010740 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.1600 COC1=C(C=CC(=C1)C)OCC(=O)O T116041 [1,1,0,0,0,0|0,0,2]=4 53 B14R1.1600 COC1=CC(=CC=C1OCC(=O)O)Cl PH016687 [1,1,0,0,0,0|0,0,2]=4 54 B14R1.161 CC1=C(C=CC=C1)OCC(O)C(=O)O CBR00037 [1,1,0,0,0,0|0,0,1]=3 55 B14R1.19598 CC1=C(C(=CC=C1)Cl)OCC(O)CO S752053 [1,1,0,0,0,0|0,0,0]=2 56 B16R1.56 COC1=C(C=CC=C1)OCC(O)CN(C)C PH008086 [0,2,0,0,0,0|1,0,0]=3 57 B16R1.1302 CC1=CC=C(C(=C1)OCC(O)CO)C(C)C PH007005 [0,2,0,0,0,0|1,0,0]=3 58 B16R1.1331 OCC(O)COC1=CC=CC=C1C(F)(F)F PH008994 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.837 CC1=CC=CC=C1COCC(O)CO S420573 [0,0,1,1,0,0|1,0,1]=4 60 B14R2.112 OCCC1COC2=CC=CC=C2O1 CBR01255 [1,0,0,1,0,0|0,0,0]=2 61 B14R2.1078 COC1=CC=CC2=C1CCCC2N PH019065 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.1078 COC1=CC=CC2=C1CCCC2O S937266 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.11625 N#CC1=CC=CC=C1OCC2CO2 PH011759 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.11637 BrCC1=CC=CC2=C1OCCCO2 CDS022180 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.11637 NCC1=CC=CC2=C1OCCCO2 CDS017848 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 CBR01242 [1,0,0,1,0,0|0,0,2]=4 67 B14R2.2968 COC1=CC=CC=C1CC2(CC2)N PH019042 [0,0,0,1,1,0|2,0,0]=4 68 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [1,0,0,0,1,0|2,0,0]=4 69 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC CDS015715 [0,0,0,0,2,0|2,0,0]=4