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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02741966

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.88
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.84
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
SS11-PHENYLETHANOLH1UM50.72
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
FPN4-FLUOROPHENOLA,B1XVD0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.8
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.73
D1NNAPHTHALENE-1,2-DIOLA2EI10.82
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.75
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.76
BPYBIPHENYL-2,3-DIOLA1KMY0.86
BPYBIPHENYL-2,3-DIOLB1KW80.86
BPYBIPHENYL-2,3-DIOLA2EI30.86
BPYBIPHENYL-2,3-DIOLA1EIR0.86
BPYBIPHENYL-2,3-DIOLB1KW60.86
BPYBIPHENYL-2,3-DIOLB1KWC0.86
BPYBIPHENYL-2,3-DIOLB1KW90.86
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.76
EQIEQUILINA,B1EQU0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.78
4HP4-HYDROXYPHENYLACETATEA2YYJ0.78
4HP4-HYDROXYPHENYLACETATEA2YYM0.78
4HP4-HYDROXYPHENYLACETATEB1AI60.78
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.78
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.86
HC4A1TS60.78
HC4A3PHY0.78
HC4A3PYP0.78
HC4A1T1C0.78
HC4A1OT60.78
HC4A1TS00.78
HC4A1T1A0.78
HC4A2PYP0.78
HC4A2ZOI0.78
HC4A1OTI0.78
HC4A1XFQ0.78
HC4A2D010.78
HC4A,B,C,D,E,F,
G,H
2O7B0.78
HC4A2ZOH0.78
HC4A1GSW0.78
HC4A2QJ70.78
HC4A1F9I0.78
HC4X1UWP0.78
HC4A2PHY0.78
HC4A1T1B0.78
HC4A1F980.78
HC4A1T190.78
HC4X1UWN0.78
HC4A,B,C,D,E,F,
G,H
2O7F0.78
HC4A1UGU0.78
HC4A1TS80.78
HC4A,B1OTD0.78
HC4A1OTE0.78
HC4A1GSX0.78
HC4A1TS70.78
HC4A2PYR0.78
HC4A1S4S0.78
HC4A1GSV0.78
HC4A2I9V0.78
HC4A2QWS0.78
HC4A1XFN0.78
HC4A1S4R0.78
HC4A1T180.78
HC4A1OTA0.78
HC4A1D7E0.78
HC4A1S1Z0.78
HC4A,B,C1MZU0.78
HC4A,B1ODV0.78
HC4A,B2J3J0.78
HC4A2QJ50.78
HC4A1OTB0.78
HC4A2D020.78
HC4A1OT90.78
HC4A1NWZ0.78
HC4A1S1Y0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.77
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.74
MCT4-METHYLCATECHOLA1L4G0.81
MCT4-METHYLCATECHOLA2EHZ0.81
MCT4-METHYLCATECHOLA,B1DMH0.81
EPTHEPTANYL-P-PHENOLA,B1AHZ0.85
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.76
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.91
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.83
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.85
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.84
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.79
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.74
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.75
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.75
34D3,5-DIHYDROXYBENZOATEA,B2BX70.75
ESLESTRIOLA1X8V0.76
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.79
OBPA,B2DE30.78
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E1EZV0.7
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1P840.7
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E2IBZ0.7
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1KB90.7
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.84
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.74
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.76
PCRP-CRESOLA1JHV0.82
PCRP-CRESOLA1JHU0.82
PCRP-CRESOLA,B,C,D1DIQ0.82
EQUEQUILENINA,B1OGX0.72
EQUEQUILENINA,B,C,D,E,F1QJG0.72
EQUEQUILENINA,B1OH00.72
EQUEQUILENINA1W6Y0.72
EQUEQUILENINA,B1CQS0.72
EQUEQUILENINA1OGZ0.72
EQUEQUILENINA1GS30.72
EQUEQUILENINA1OHO0.72
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.7
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.72
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.75
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.88
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.88
LJ33,5-dibromobiphenyl-4-olA,B3CN20.79
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.78
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.74
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.74
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.81
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.87
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.79
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.78
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.76
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.77
IOL4-IODOPHENOLA,B1EWA0.71
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.73
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.77
GENGENISTEINA1QKM0.71
GENGENISTEINA,B1X7J0.71
GENGENISTEINA,B2QA80.71
GENGENISTEINA1X7R0.71
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.81
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.81
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.81
RCORESORCINOLA,B,C,D,E,F2OMH0.81
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.81
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.81
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.81
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.81
SXXSINAPINATEA,B1WB40.73
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.76
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.74
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.7
IPHPHENOLA,B2OLD0.73
IPHPHENOLA,B,C,D2PZV0.73
IPHPHENOLA1LI20.73
IPHPHENOLA2J9N0.73
IPHPHENOLA,B,C,D2OMB0.73
IPHPHENOLA1JHX0.73
IPHPHENOLA,B,C,D2VE70.73
IPHPHENOLB,D,E,G,H,J,L1AI00.73
IPHPHENOLA,B,C,D1FOH0.73
IPHPHENOLA1V030.73
IPHPHENOLA,C,E,G,I,K5AIY0.73
IPHPHENOLB,D,F,H,J,L1AIY0.73
IPHPHENOLA,B1XU50.73
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.73
IPHPHENOLA,C,E,G,I,K4AIY0.73
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.73
IPHPHENOLA2AS30.73
IPHPHENOLA,B,C,D1ZEG0.73
IPHPHENOLA,B,C,D1PN00.73
IPHPHENOLA,B,C,D1XW70.73
IPHPHENOLA,C,E,G,I,K,M1QIY0.73
IPHPHENOLA,B,C,D1Q4V0.73
IPHPHENOLB1AI70.73
IPHPHENOLA1FJW0.73
IPHPHENOLB,C,D1RWE0.73
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.73
IPHPHENOLB,C,D3GKY0.73
IPHPHENOLA1JHY0.73
IPHPHENOLA,C,E,G,I,K3AIY0.73
IPHPHENOLA,B2OMN0.73
IPHPHENOLA,C,E,G,I,K2AIY0.73
IPHPHENOLA,B,D1MPJ0.73
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.73
IPHPHENOLB,C,D1LPH0.73
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.88
DESDIETHYLSTILBESTROLA,B3ERD0.88
DESDIETHYLSTILBESTROLA,B1TT60.88
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.88
1NP1-NAPHTHOLX2ZVQ0.84
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.88
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.76
MBD3-METHYLCATECHOLA1KNF0.8
FLVFLAVIOLINA1ZDW0.72
FLVFLAVIOLINA1T930.72
FLVFLAVIOLINA2D090.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.73
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.8
CRSM-CRESOLA,B,C,D1EV30.83
CRSM-CRESOLA,B,C,D,E,F2OMG0.83
CRSM-CRESOLA,B1UZ90.83
CRSM-CRESOLA,B,C,D1ZEH0.83
CRSM-CRESOLA,B,C,D,E,F1ZEI0.83
CRSM-CRESOLA,C,D,E7INS0.83
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.83
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
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
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.79
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.78
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
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
2LP2-ALLYLPHENOLA1OV50.84
AEF4-(2-aminoethyl)phenolA3BRA0.75
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.83
EYK2-tert-butylbenzene-1,4-diolB3EYK0.83
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.84
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.7
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.7
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.74
FHIA,B1Y1D0.7
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.77
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.77
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.79
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.78
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.78
LNRL-NOREPINEPHRINEA,B2QEO0.73
LNRL-NOREPINEPHRINEA3DYE0.73
LNRL-NOREPINEPHRINEA4PAH0.73
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
FP22-fluorophenolA3CPO0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.77
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.88
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.79
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.79
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol
A,B2QTU0.7
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.76
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
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,D1Y0G0.8
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.75
ANFANTHRONEH2BJM0.8
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.7
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.73
CAQCATECHOLB2BUY0.7
CAQCATECHOLA1KND0.7
CAQCATECHOLB2BUQ0.7
CAQCATECHOLA,B1DLT0.7
CAQCATECHOLA1XEP0.7
CAQCATECHOLA2PUM0.7
ZTWRALOXIFENE COREA,B1GWQ0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Q700.7
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Z4B0.7
ETY4-ethylphenolA,B,C,D2RA60.84
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
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
STLRESVERATROLA,B3CKL0.97
STLRESVERATROLA,B,C,D1U0W0.97
STLRESVERATROLA1CGZ0.97
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.97
STLRESVERATROLA1Z1F0.97
STLRESVERATROLA1DVS0.97
STLRESVERATROLA,B1SG00.97
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.72
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
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.76
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.76
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.76
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.76