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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03524362

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.76
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.77
DHCCAFFEIC ACIDA1KOU0.77
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.86
EQIEQUILINA,B1EQU0.73
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.71
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.71
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.71
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.92
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.76
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.77
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.77
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.9
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.9
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.73
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.74
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.86
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.81
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.81
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.81
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.91
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.8
AEF4-(2-aminoethyl)phenolA3BRA0.8
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
SS11-PHENYLETHANOLH1UM50.78
ZTWRALOXIFENE COREA,B1GWQ0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.85
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
EQUEQUILENINA,B1OGX0.73
EQUEQUILENINA,B,C,D,E,F1QJG0.73
EQUEQUILENINA,B1OH00.73
EQUEQUILENINA1W6Y0.73
EQUEQUILENINA,B1CQS0.73
EQUEQUILENINA1OGZ0.73
EQUEQUILENINA1GS30.73
EQUEQUILENINA1OHO0.73
OHT4-HYDROXYTAMOXIFENA3ERT0.72
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.72
OHT4-HYDROXYTAMOXIFENA,B1VJB0.72
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.72
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.72
OHT4-HYDROXYTAMOXIFENA2GPU0.72
OHT4-HYDROXYTAMOXIFENA2P7Z0.72
OHT4-HYDROXYTAMOXIFENA,B2BJ40.72
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.8
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.75
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.75
FP22-fluorophenolA3CPO0.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.86
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.7
FFP2,6-DIFLUOROPHENOLA2INX0.76
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.79
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.9
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.78
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.77
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.78
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.74
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.86
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.88
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.76
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
HBAP-HYDROXYBENZALDEHYDEA1K030.73
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.73
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.73
HBAP-HYDROXYBENZALDEHYDEA2GQ90.73
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.73
HBAP-HYDROXYBENZALDEHYDEA1OYB0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.78
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
CAQCATECHOLB2BUY0.76
CAQCATECHOLA1KND0.76
CAQCATECHOLB2BUQ0.76
CAQCATECHOLA,B1DLT0.76
CAQCATECHOLA1XEP0.76
CAQCATECHOLA2PUM0.76
HC4A1TS60.84
HC4A3PHY0.84
HC4A3PYP0.84
HC4A1T1C0.84
HC4A1OT60.84
HC4A1TS00.84
HC4A1T1A0.84
HC4A2PYP0.84
HC4A2ZOI0.84
HC4A1OTI0.84
HC4A1XFQ0.84
HC4A2D010.84
HC4A,B,C,D,E,F,
G,H
2O7B0.84
HC4A2ZOH0.84
HC4A1GSW0.84
HC4A2QJ70.84
HC4A1F9I0.84
HC4X1UWP0.84
HC4A2PHY0.84
HC4A1T1B0.84
HC4A1F980.84
HC4A1T190.84
HC4X1UWN0.84
HC4A,B,C,D,E,F,
G,H
2O7F0.84
HC4A1UGU0.84
HC4A1TS80.84
HC4A,B1OTD0.84
HC4A1OTE0.84
HC4A1GSX0.84
HC4A1TS70.84
HC4A2PYR0.84
HC4A1S4S0.84
HC4A1GSV0.84
HC4A2I9V0.84
HC4A2QWS0.84
HC4A1XFN0.84
HC4A1S4R0.84
HC4A1T180.84
HC4A1OTA0.84
HC4A1D7E0.84
HC4A1S1Z0.84
HC4A,B,C1MZU0.84
HC4A,B1ODV0.84
HC4A,B2J3J0.84
HC4A2QJ50.84
HC4A1OTB0.84
HC4A2D020.84
HC4A1OT90.84
HC4A1NWZ0.84
HC4A1S1Y0.84
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.77
HTS2-MERCAPTOPHENOLA2OSM0.73
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.94
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.81
2MP3,4-DIMETHYLPHENOLA1L5O0.89
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.79
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
BPYBIPHENYL-2,3-DIOLA1KMY0.84
BPYBIPHENYL-2,3-DIOLB1KW80.84
BPYBIPHENYL-2,3-DIOLA2EI30.84
BPYBIPHENYL-2,3-DIOLA1EIR0.84
BPYBIPHENYL-2,3-DIOLB1KW60.84
BPYBIPHENYL-2,3-DIOLB1KWC0.84
BPYBIPHENYL-2,3-DIOLB1KW90.84
STLRESVERATROLA,B3CKL0.87
STLRESVERATROLA,B,C,D1U0W0.87
STLRESVERATROLA1CGZ0.87
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.87
STLRESVERATROLA1Z1F0.87
STLRESVERATROLA1DVS0.87
STLRESVERATROLA,B1SG00.87
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.8
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.8
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.92
DESDIETHYLSTILBESTROLA,B3ERD0.92
DESDIETHYLSTILBESTROLA,B1TT60.92
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.92
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.77
AC6P-HYDROXYACETOPHENONEX2O480.77
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.81
2LP2-ALLYLPHENOLA1OV50.89
3CH3-CHLOROPHENOLA1LI30.72
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.72
1NP1-NAPHTHOLX2ZVQ0.84
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.74
2CH2-CHLOROPHENOLA1WBO0.71
FPN4-FLUOROPHENOLA,B1XVD0.78
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.73
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.82
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.76
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.76
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.76
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.82
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.78
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.7
ESTESTRADIOLA,B1GWR0.76
ESTESTRADIOLA1FDS0.76
ESTESTRADIOLA,B,C1G500.76
ESTESTRADIOLA,B,C,D,E,F1ERE0.76
ESTESTRADIOLA,B1A520.76
ESTESTRADIOLA1FDT0.76
ESTESTRADIOLA2OCF0.76
ESTESTRADIOLA,B,C1QKU0.76
ESTESTRADIOLA,B,C,D,L1E6W0.76
ESTESTRADIOLA1IOL0.76
ESTESTRADIOLH1JNN0.76
ESTESTRADIOLB1QKT0.76
ESTESTRADIOLA1FDW0.76
ESTESTRADIOLA,B1AQU0.76
ESTESTRADIOLA1LHU0.76
ESTESTRADIOLA1A270.76
ESTESTRADIOLL1JGL0.76
ESTESTRADIOLA,B,E,F1PCG0.76
ESTESTRADIOLA,B,C,D1FDU0.76
ESTESTRADIOLA2J7X0.76
ESTESTRADIOLA,B2D060.76
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.72
MBD3-METHYLCATECHOLA1KNF0.82
CRSM-CRESOLA,B,C,D1EV30.9
CRSM-CRESOLA,B,C,D,E,F2OMG0.9
CRSM-CRESOLA,B1UZ90.9
CRSM-CRESOLA,B,C,D1ZEH0.9
CRSM-CRESOLA,B,C,D,E,F1ZEI0.9
CRSM-CRESOLA,C,D,E7INS0.9
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.9
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.83
EYK2-tert-butylbenzene-1,4-diolB3EYK0.83
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.74
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.86
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.86
IPHPHENOLA,B2OLD0.81
IPHPHENOLA,B,C,D2PZV0.81
IPHPHENOLA1LI20.81
IPHPHENOLA2J9N0.81
IPHPHENOLA,B,C,D2OMB0.81
IPHPHENOLA1JHX0.81
IPHPHENOLA,B,C,D2VE70.81
IPHPHENOLB,D,E,G,H,J,L1AI00.81
IPHPHENOLA,B,C,D1FOH0.81
IPHPHENOLA1V030.81
IPHPHENOLA,C,E,G,I,K5AIY0.81
IPHPHENOLB,D,F,H,J,L1AIY0.81
IPHPHENOLA,B1XU50.81
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.81
IPHPHENOLA,C,E,G,I,K4AIY0.81
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.81
IPHPHENOLA2AS30.81
IPHPHENOLA,B,C,D1ZEG0.81
IPHPHENOLA,B,C,D1PN00.81
IPHPHENOLA,B,C,D1XW70.81
IPHPHENOLA,C,E,G,I,K,M1QIY0.81
IPHPHENOLA,B,C,D1Q4V0.81
IPHPHENOLB1AI70.81
IPHPHENOLA1FJW0.81
IPHPHENOLB,C,D1RWE0.81
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.81
IPHPHENOLB,C,D3GKY0.81
IPHPHENOLA1JHY0.81
IPHPHENOLA,C,E,G,I,K3AIY0.81
IPHPHENOLA,B2OMN0.81
IPHPHENOLA,C,E,G,I,K2AIY0.81
IPHPHENOLA,B,D1MPJ0.81
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.81
IPHPHENOLB,C,D1LPH0.81
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.75
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.75
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.75
RCORESORCINOLA,B,C,D,E,F2OMH0.75
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.75
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.75
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.75
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.75
ESLESTRIOLA1X8V0.74
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.81
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.73
PCRP-CRESOLA1JHV0.93
PCRP-CRESOLA1JHU0.93
PCRP-CRESOLA,B,C,D1DIQ0.93
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.78
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.75
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.72
BML4-BROMOPHENOLA,B,E3DHH0.72
BML4-BROMOPHENOLA,B1XU30.72
BML4-BROMOPHENOLA,B1T0S0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.91
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
IOL4-IODOPHENOLA,B1EWA0.78
ETY4-ethylphenolA,B,C,D2RA60.93
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
OBPA,B2DE30.79
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.74
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.82
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.82
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.8
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.8
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.82
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
MCT4-METHYLCATECHOLA1L4G0.85
MCT4-METHYLCATECHOLA2EHZ0.85
MCT4-METHYLCATECHOLA,B1DMH0.85
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.71
341(3,5-difluorophenyl)methanolC3EON0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.8
4HP4-HYDROXYPHENYLACETATEA2YYJ0.8
4HP4-HYDROXYPHENYLACETATEA2YYM0.8
4HP4-HYDROXYPHENYLACETATEB1AI60.8
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.8
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ40.72
PHBP-HYDROXYBENZOIC ACIDA1DOB0.72
PHBP-HYDROXYBENZOIC ACIDA1PXB0.72
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.72
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUV0.72
PHBP-HYDROXYBENZOIC ACIDA1PBE0.72
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.72
PHBP-HYDROXYBENZOIC ACIDA1PDH0.72
PHBP-HYDROXYBENZOIC ACIDB2BUW0.72
PHBP-HYDROXYBENZOIC ACIDA1CC40.72
PHBP-HYDROXYBENZOIC ACIDA1CC60.72
PHBP-HYDROXYBENZOIC ACIDA1IUW0.72
PHBP-HYDROXYBENZOIC ACIDA1FW90.72
PHBP-HYDROXYBENZOIC ACIDA1G810.72
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUX0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ30.72
PHBP-HYDROXYBENZOIC ACIDA1D7L0.72
PHBP-HYDROXYBENZOIC ACIDA2PHH0.72
PHBP-HYDROXYBENZOIC ACIDA1BGN0.72
PHBP-HYDROXYBENZOIC ACIDA1PXA0.72
PHBP-HYDROXYBENZOIC ACIDA1DOC0.72
PHBP-HYDROXYBENZOIC ACIDA1K0I0.72
PHBP-HYDROXYBENZOIC ACIDA1BKW0.72
PHBP-HYDROXYBENZOIC ACIDA1JD30.72
PHBP-HYDROXYBENZOIC ACIDA1PXC0.72
PHBP-HYDROXYBENZOIC ACIDA1TT80.72
PHBP-HYDROXYBENZOIC ACIDA1CJ20.72
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.72
PHBP-HYDROXYBENZOIC ACIDA1BF30.72
PHBP-HYDROXYBENZOIC ACIDB2BUR0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.77
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.7
ANFANTHRONEH2BJM0.82
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.83