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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006837

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.74
ANFANTHRONEH2BJM0.78
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.79
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.78
STLRESVERATROLA,B3CKL0.83
STLRESVERATROLA,B,C,D1U0W0.83
STLRESVERATROLA1CGZ0.83
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.83
STLRESVERATROLA1Z1F0.83
STLRESVERATROLA1DVS0.83
STLRESVERATROLA,B1SG00.83
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.86
DESDIETHYLSTILBESTROLA,B3ERD0.86
DESDIETHYLSTILBESTROLA,B1TT60.86
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.86
341(3,5-difluorophenyl)methanolC3EON0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.83
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.74
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.73
SS11-PHENYLETHANOLH1UM50.78
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.93
EYK2-tert-butylbenzene-1,4-diolB3EYK0.93
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.79
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
MBD3-METHYLCATECHOLA1KNF0.92
FP22-fluorophenolA3CPO0.78
FFP2,6-DIFLUOROPHENOLA2INX0.76
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.7
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.78
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.71
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.72
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.74
SAL2-HYDROXYBENZOIC ACIDA2I300.74
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.74
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.74
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.74
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.74
SAL2-HYDROXYBENZOIC ACIDA1WYG0.74
SAL2-HYDROXYBENZOIC ACIDA1JGS0.74
SAL2-HYDROXYBENZOIC ACIDX1M6E0.74
SAL2-HYDROXYBENZOIC ACIDA3B9M0.74
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.74
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.74
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.74
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
MTYMETA-TYROSINEA2TOH0.7
MTYMETA-TYROSINEA,B1BIQ0.7
MTYMETA-TYROSINEA1Q7O0.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.73
HBAP-HYDROXYBENZALDEHYDEA1K030.73
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.73
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.73
HBAP-HYDROXYBENZALDEHYDEA2GQ90.73
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.73
HBAP-HYDROXYBENZALDEHYDEA1OYB0.73
34D3,5-DIHYDROXYBENZOATEA,B2BX70.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.89
HTS2-MERCAPTOPHENOLA2OSM0.73
ESTESTRADIOLA,B1GWR0.74
ESTESTRADIOLA1FDS0.74
ESTESTRADIOLA,B,C1G500.74
ESTESTRADIOLA,B,C,D,E,F1ERE0.74
ESTESTRADIOLA,B1A520.74
ESTESTRADIOLA1FDT0.74
ESTESTRADIOLA2OCF0.74
ESTESTRADIOLA,B,C1QKU0.74
ESTESTRADIOLA,B,C,D,L1E6W0.74
ESTESTRADIOLA1IOL0.74
ESTESTRADIOLH1JNN0.74
ESTESTRADIOLB1QKT0.74
ESTESTRADIOLA1FDW0.74
ESTESTRADIOLA,B1AQU0.74
ESTESTRADIOLA1LHU0.74
ESTESTRADIOLA1A270.74
ESTESTRADIOLL1JGL0.74
ESTESTRADIOLA,B,E,F1PCG0.74
ESTESTRADIOLA,B,C,D1FDU0.74
ESTESTRADIOLA2J7X0.74
ESTESTRADIOLA,B2D060.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.76
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.72
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.78
EQIEQUILINA,B1EQU0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.74
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
2MP3,4-DIMETHYLPHENOLA1L5O0.89
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.78
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
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.78
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.78
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.7
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.78
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
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.82
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.7
3CH3-CHLOROPHENOLA1LI30.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.79
3HB3-HYDROXYBENZOIC ACIDA2DKH0.79
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.73
1NP1-NAPHTHOLX2ZVQ0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.72
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
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,D1Y0G0.88
2CH2-CHLOROPHENOLA1WBO0.71
FPN4-FLUOROPHENOLA,B1XVD0.78
PHBP-HYDROXYBENZOIC ACIDA1CJ40.73
PHBP-HYDROXYBENZOIC ACIDA1DOB0.73
PHBP-HYDROXYBENZOIC ACIDA1PXB0.73
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.73
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUV0.73
PHBP-HYDROXYBENZOIC ACIDA1PBE0.73
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.73
PHBP-HYDROXYBENZOIC ACIDA1PDH0.73
PHBP-HYDROXYBENZOIC ACIDB2BUW0.73
PHBP-HYDROXYBENZOIC ACIDA1CC40.73
PHBP-HYDROXYBENZOIC ACIDA1CC60.73
PHBP-HYDROXYBENZOIC ACIDA1IUW0.73
PHBP-HYDROXYBENZOIC ACIDA1FW90.73
PHBP-HYDROXYBENZOIC ACIDA1G810.73
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUX0.73
PHBP-HYDROXYBENZOIC ACIDA1CJ30.73
PHBP-HYDROXYBENZOIC ACIDA1D7L0.73
PHBP-HYDROXYBENZOIC ACIDA2PHH0.73
PHBP-HYDROXYBENZOIC ACIDA1BGN0.73
PHBP-HYDROXYBENZOIC ACIDA1PXA0.73
PHBP-HYDROXYBENZOIC ACIDA1DOC0.73
PHBP-HYDROXYBENZOIC ACIDA1K0I0.73
PHBP-HYDROXYBENZOIC ACIDA1BKW0.73
PHBP-HYDROXYBENZOIC ACIDA1JD30.73
PHBP-HYDROXYBENZOIC ACIDA1PXC0.73
PHBP-HYDROXYBENZOIC ACIDA1TT80.73
PHBP-HYDROXYBENZOIC ACIDA1CJ20.73
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.73
PHBP-HYDROXYBENZOIC ACIDA1BF30.73
PHBP-HYDROXYBENZOIC ACIDB2BUR0.73
PCRP-CRESOLA1JHV0.91
PCRP-CRESOLA1JHU0.91
PCRP-CRESOLA,B,C,D1DIQ0.91
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.71
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.79
DHCCAFFEIC ACIDA1KOU0.79
LDPL-DOPAMINEA,B2A3R0.76
LDPL-DOPAMINEA5PAH0.76
LDPL-DOPAMINEA,B2QMZ0.76
LDPL-DOPAMINEA,B2VQ50.76
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
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.72
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.9
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.82
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.85
43M4-CHLORO-3-METHYLPHENOLA2P7A0.82
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.73
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.84
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.89
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.81
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.71
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.79
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.84
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.84
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
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.75
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.72
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.81
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.81
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
AC6P-HYDROXYACETOPHENONEA2GQ80.76
AC6P-HYDROXYACETOPHENONEX2O480.76
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.84
OBPA,B2DE30.76
CRSM-CRESOLA,B,C,D1EV30.94
CRSM-CRESOLA,B,C,D,E,F2OMG0.94
CRSM-CRESOLA,B1UZ90.94
CRSM-CRESOLA,B,C,D1ZEH0.94
CRSM-CRESOLA,B,C,D,E,F1ZEI0.94
CRSM-CRESOLA,C,D,E7INS0.94
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.94
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.86
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.77
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.77
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.77
RCORESORCINOLA,B,C,D,E,F2OMH0.77
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.77
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.77
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.77
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.77
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
ETY4-ethylphenolA,B,C,D2RA60.89
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.71
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.78
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.81
AEF4-(2-aminoethyl)phenolA3BRA0.77
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
HC4A1TS60.82
HC4A3PHY0.82
HC4A3PYP0.82
HC4A1T1C0.82
HC4A1OT60.82
HC4A1TS00.82
HC4A1T1A0.82
HC4A2PYP0.82
HC4A2ZOI0.82
HC4A1OTI0.82
HC4A1XFQ0.82
HC4A2D010.82
HC4A,B,C,D,E,F,
G,H
2O7B0.82
HC4A2ZOH0.82
HC4A1GSW0.82
HC4A2QJ70.82
HC4A1F9I0.82
HC4X1UWP0.82
HC4A2PHY0.82
HC4A1T1B0.82
HC4A1F980.82
HC4A1T190.82
HC4X1UWN0.82
HC4A,B,C,D,E,F,
G,H
2O7F0.82
HC4A1UGU0.82
HC4A1TS80.82
HC4A,B1OTD0.82
HC4A1OTE0.82
HC4A1GSX0.82
HC4A1TS70.82
HC4A2PYR0.82
HC4A1S4S0.82
HC4A1GSV0.82
HC4A2I9V0.82
HC4A2QWS0.82
HC4A1XFN0.82
HC4A1S4R0.82
HC4A1T180.82
HC4A1OTA0.82
HC4A1D7E0.82
HC4A1S1Z0.82
HC4A,B,C1MZU0.82
HC4A,B1ODV0.82
HC4A,B2J3J0.82
HC4A2QJ50.82
HC4A1OTB0.82
HC4A2D020.82
HC4A1OT90.82
HC4A1NWZ0.82
HC4A1S1Y0.82
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.73
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
BML4-BROMOPHENOLA,B,E3DHH0.72
BML4-BROMOPHENOLA,B1XU30.72
BML4-BROMOPHENOLA,B1T0S0.72
CAQCATECHOLB2BUY0.78
CAQCATECHOLA1KND0.78
CAQCATECHOLB2BUQ0.78
CAQCATECHOLA,B1DLT0.78
CAQCATECHOLA1XEP0.78
CAQCATECHOLA2PUM0.78
MCT4-METHYLCATECHOLA1L4G0.89
MCT4-METHYLCATECHOLA2EHZ0.89
MCT4-METHYLCATECHOLA,B1DMH0.89
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
IOL4-IODOPHENOLA,B1EWA0.78
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.88
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.8
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.8
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.84
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.74
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.8
4HP4-HYDROXYPHENYLACETATEA2YYJ0.8
4HP4-HYDROXYPHENYLACETATEA2YYM0.8
4HP4-HYDROXYPHENYLACETATEB1AI60.8
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.8
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.72
2LP2-ALLYLPHENOLA1OV50.91
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.87
2BR2-BROMOPHENOLA,B,C,D2A9W0.72
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.76
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.79
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.83
ESLESTRIOLA1X8V0.72