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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02345500

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.77
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.76
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
A,B1CP80.78
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.74
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.8
OSB2-SUCCINYLBENZOATEA1FHV0.76
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.76
OSB2-SUCCINYLBENZOATEA,B2QVH0.76
SWFS-WARFARINA,B1OG50.71
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.78
FHIA,B1Y1D0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
ETY4-ethylphenolA,B,C,D2RA60.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.72
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.76
ESTESTRADIOLA,B1GWR0.72
ESTESTRADIOLA1FDS0.72
ESTESTRADIOLA,B,C1G500.72
ESTESTRADIOLA,B,C,D,E,F1ERE0.72
ESTESTRADIOLA,B1A520.72
ESTESTRADIOLA1FDT0.72
ESTESTRADIOLA2OCF0.72
ESTESTRADIOLA,B,C1QKU0.72
ESTESTRADIOLA,B,C,D,L1E6W0.72
ESTESTRADIOLA1IOL0.72
ESTESTRADIOLH1JNN0.72
ESTESTRADIOLB1QKT0.72
ESTESTRADIOLA1FDW0.72
ESTESTRADIOLA,B1AQU0.72
ESTESTRADIOLA1LHU0.72
ESTESTRADIOLA1A270.72
ESTESTRADIOLL1JGL0.72
ESTESTRADIOLA,B,E,F1PCG0.72
ESTESTRADIOLA,B,C,D1FDU0.72
ESTESTRADIOLA2J7X0.72
ESTESTRADIOLA,B2D060.72
VXXVANILLATEA,B1WB60.72
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.83
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE
A,B1BP80.78
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ20.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.78
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.78
ANN4-METHOXYBENZOIC ACIDA2B960.75
ANN4-METHOXYBENZOIC ACIDA2QUE0.75
ANN4-METHOXYBENZOIC ACIDA1SV30.75
ANN4-METHOXYBENZOIC ACIDA1O2E0.75
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.75
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.72
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.72
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.8
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
4FCA1YSG0.76
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
3CAA,B2B770.77
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.79
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.76
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.75
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.75
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.75
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.7
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.71
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.79
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.72
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.73
BEZBENZOIC ACIDA,B2F8D0.7
BEZBENZOIC ACIDA,B1A8U0.7
BEZBENZOIC ACIDA,B1REE0.7
BEZBENZOIC ACIDA1L7Q0.7
BEZBENZOIC ACIDA1I690.7
BEZBENZOIC ACIDH,L1RUL0.7
BEZBENZOIC ACIDA,B3CCF0.7
BEZBENZOIC ACIDA1W9Q0.7
BEZBENZOIC ACIDA,B,G,J2DU80.7
BEZBENZOIC ACIDH,L1RUA0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.7
BEZBENZOIC ACIDH,L1RU90.7
BEZBENZOIC ACIDA,B,C,D2V320.7
BEZBENZOIC ACIDA2QMQ0.7
BEZBENZOIC ACIDA1UKB0.7
BEZBENZOIC ACIDA,B1RED0.7
BEZBENZOIC ACIDA,B1OC30.7
BEZBENZOIC ACIDA,B1REF0.7
BEZBENZOIC ACIDA,B2O020.7
BEZBENZOIC ACIDA,B2VJ10.7
BEZBENZOIC ACIDA,B,C1WSP0.7
BEZBENZOIC ACIDA1HZ40.7
BEZBENZOIC ACIDA2Q380.7
BEZBENZOIC ACIDA,B,C,D1UUJ0.7
BEZBENZOIC ACIDA,B2QL80.7
BEZBENZOIC ACIDA2Q0I0.7
BEZBENZOIC ACIDA,B1S8F0.7
BEZBENZOIC ACIDD,E,F,G,H1DJR0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.7
BEZBENZOIC ACIDA,B,C,D1I7Q0.7
BEZBENZOIC ACIDA,B,C,D2RHM0.7
BEZBENZOIC ACIDA,B2F780.7
BEZBENZOIC ACIDA,B2VL20.7
BEZBENZOIC ACIDA1HD20.7
BEZBENZOIC ACIDA1JU40.7
BEZBENZOIC ACIDH,L2AJY0.7
BEZBENZOIC ACIDA,B,C3GV10.7
BEZBENZOIC ACIDA2Q6U0.7
BEZBENZOIC ACIDA,B1VE90.7
BEZBENZOIC ACIDA,B1S9A0.7
BEZBENZOIC ACIDH,L,M1OP30.7
BEZBENZOIC ACIDA1W9E0.7
BEZBENZOIC ACIDA,B,C,D2V2G0.7
BEZBENZOIC ACIDH,L2AK10.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.7
BEZBENZOIC ACIDA,B1GYX0.7
BEZBENZOIC ACIDA1V1T0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.7
BEZBENZOIC ACIDA,B1HKQ0.7
BEZBENZOIC ACIDH,L1RUK0.7
BEZBENZOIC ACIDA2Q1B0.7
BEZBENZOIC ACIDH,L1RUM0.7
BEZBENZOIC ACIDA,B2F7A0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.7
BEZBENZOIC ACIDA,B2V7B0.7
BEZBENZOIC ACIDH1NCW0.7
BEZBENZOIC ACIDA,B1TMX0.7
BEZBENZOIC ACIDA1URM0.7
BEZBENZOIC ACIDA1W9O0.7
BEZBENZOIC ACIDA,B,C,D1GXS0.7
BEZBENZOIC ACIDH1RUP0.7
BEZBENZOIC ACIDA,B,C,D1KQB0.7
BEZBENZOIC ACIDA2Q9R0.7
BEZBENZOIC ACIDD,H2OK60.7
BEZBENZOIC ACIDA,B2Q0J0.7
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.72
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.76
D1NNAPHTHALENE-1,2-DIOLA2EI10.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
2LP2-ALLYLPHENOLA1OV50.71
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
34D3,5-DIHYDROXYBENZOATEA,B2BX70.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.74
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
MBD3-METHYLCATECHOLA1KNF0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.72
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.78
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.77
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ40.79
PHBP-HYDROXYBENZOIC ACIDA1DOB0.79
PHBP-HYDROXYBENZOIC ACIDA1PXB0.79
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.79
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.79
PHBP-HYDROXYBENZOIC ACIDA1IUV0.79
PHBP-HYDROXYBENZOIC ACIDA1PBE0.79
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.79
PHBP-HYDROXYBENZOIC ACIDA1PDH0.79
PHBP-HYDROXYBENZOIC ACIDB2BUW0.79
PHBP-HYDROXYBENZOIC ACIDA1CC40.79
PHBP-HYDROXYBENZOIC ACIDA1CC60.79
PHBP-HYDROXYBENZOIC ACIDA1IUW0.79
PHBP-HYDROXYBENZOIC ACIDA1FW90.79
PHBP-HYDROXYBENZOIC ACIDA1G810.79
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.79
PHBP-HYDROXYBENZOIC ACIDA1IUX0.79
PHBP-HYDROXYBENZOIC ACIDA1CJ30.79
PHBP-HYDROXYBENZOIC ACIDA1D7L0.79
PHBP-HYDROXYBENZOIC ACIDA2PHH0.79
PHBP-HYDROXYBENZOIC ACIDA1BGN0.79
PHBP-HYDROXYBENZOIC ACIDA1PXA0.79
PHBP-HYDROXYBENZOIC ACIDA1DOC0.79
PHBP-HYDROXYBENZOIC ACIDA1K0I0.79
PHBP-HYDROXYBENZOIC ACIDA1BKW0.79
PHBP-HYDROXYBENZOIC ACIDA1JD30.79
PHBP-HYDROXYBENZOIC ACIDA1PXC0.79
PHBP-HYDROXYBENZOIC ACIDA1TT80.79
PHBP-HYDROXYBENZOIC ACIDA1CJ20.79
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.79
PHBP-HYDROXYBENZOIC ACIDA1BF30.79
PHBP-HYDROXYBENZOIC ACIDB2BUR0.79
1NP1-NAPHTHOLX2ZVQ0.81
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.82
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.82
GENGENISTEINA1QKM0.76
GENGENISTEINA,B1X7J0.76
GENGENISTEINA,B2QA80.76
GENGENISTEINA1X7R0.76
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O650.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.7
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.77
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.9
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.78
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.74
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.71
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.75
FLVFLAVIOLINA1ZDW0.8
FLVFLAVIOLINA1T930.8
FLVFLAVIOLINA2D090.8
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.72
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.72
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.79
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.74
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.72
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.79
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.79
3HB3-HYDROXYBENZOIC ACIDA2DKH0.79
4MA4-METHYLBENZOIC ACIDA,H2HRG0.73
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.73
26CA,B2F7I0.75
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.73
EQUEQUILENINA,B1OGX0.83
EQUEQUILENINA,B,C,D,E,F1QJG0.83
EQUEQUILENINA,B1OH00.83
EQUEQUILENINA1W6Y0.83
EQUEQUILENINA,B1CQS0.83
EQUEQUILENINA1OGZ0.83
EQUEQUILENINA1GS30.83
EQUEQUILENINA1OHO0.83
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.75
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
MBOMERCURIBENZOIC ACIDA2QO80.7
MBOMERCURIBENZOIC ACIDA1LUG0.7
MBOMERCURIBENZOIC ACIDA2HOC0.7
MBOMERCURIBENZOIC ACIDA3EFI0.7
MBOMERCURIBENZOIC ACIDA3BL00.7
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.7
MBOMERCURIBENZOIC ACIDA3CAJ0.7
MBOMERCURIBENZOIC ACIDA1DR70.7
MBOMERCURIBENZOIC ACIDA2HL40.7
MBOMERCURIBENZOIC ACIDA2GD80.7
MBOMERCURIBENZOIC ACIDA2QP60.7
MBOMERCURIBENZOIC ACIDA2HD60.7
MBOMERCURIBENZOIC ACIDA3C7P0.7
MBOMERCURIBENZOIC ACIDA,B2JHN0.7
MBOMERCURIBENZOIC ACIDA1DR60.7
MBOMERCURIBENZOIC ACIDA2HNC0.7
MBOMERCURIBENZOIC ACIDA2QOA0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.77
PMAPYROMELLITIC ACIDA,B1FUP0.71
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.76
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
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
ANFANTHRONEH2BJM0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
HBAP-HYDROXYBENZALDEHYDEA1K030.79
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.79
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.79
HBAP-HYDROXYBENZALDEHYDEA2GQ90.79
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.79
HBAP-HYDROXYBENZALDEHYDEA1OYB0.79
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.76
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.76
SAL2-HYDROXYBENZOIC ACIDA2I300.76
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.76
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.76
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.76
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.76
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.76
SAL2-HYDROXYBENZOIC ACIDA1WYG0.76
SAL2-HYDROXYBENZOIC ACIDA1JGS0.76
SAL2-HYDROXYBENZOIC ACIDX1M6E0.76
SAL2-HYDROXYBENZOIC ACIDA3B9M0.76
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.76
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.76
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.76
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.76
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.76
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.76
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.76
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.76
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.76
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.76
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.76
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.76
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.76
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.76
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.76
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.73
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.73
NABA,B1SRJ0.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.83
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.83
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.73
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.73
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.89
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.89
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.86
ESLESTRIOLA1X8V0.7
RWFR-WARFARINA,B2BXD0.71
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.76
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1D830.74
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKH0.74
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKI0.74
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B,C,D1VAQ0.74
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.72
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.8
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.74
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.74
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.74
ESOO3-PHOSPHONOESTRONEB,C1ESS0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.73
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.75
AI73-(heptyloxy)benzoic acidA,B2O3Z0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
FBCA,B2B9A0.75
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.7
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.71
AC6P-HYDROXYACETOPHENONEA2GQ80.87
AC6P-HYDROXYACETOPHENONEX2O480.87
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.78
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.82
FDSFLUORESCINH4FAB0.74
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.76
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.77
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.8
NARNARINGENINA,B2UXU0.73
NARNARINGENINA2BRT0.73
NARNARINGENINA1CGK0.73
NARNARINGENINA,B1EYQ0.73
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.8
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.8
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.84
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.72
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.82
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.82
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.7
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.74
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B146D0.78
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B207D0.78
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.74
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.72
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.84
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71
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
EQIEQUILINA,B1EQU0.79