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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02673211

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.77
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.9
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.9
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.73
S1ASORAPHEN AA,B3GID0.73
S1ASORAPHEN AA,B,C1W960.73
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.84
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.76
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.77
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.73
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.78
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.71
BZFBENZOFURANA182L0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.7
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.85
EQIEQUILINA,B1EQU0.75
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.75
BFLA,B1Q4G0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.74
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.84
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.82
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.76
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.79
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R
3H1K0.77
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
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.84
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.76
VITVITAMIN EA,B1KPM0.71
VITVITAMIN EA,B3CXI0.71
VITVITAMIN EA,B3CYL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.83
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.73
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.73
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.73
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.73
FLTFLUOROMALONYL TYROSINEI1BZH0.71
HC4A1TS60.7
HC4A3PHY0.7
HC4A3PYP0.7
HC4A1T1C0.7
HC4A1OT60.7
HC4A1TS00.7
HC4A1T1A0.7
HC4A2PYP0.7
HC4A2ZOI0.7
HC4A1OTI0.7
HC4A1XFQ0.7
HC4A2D010.7
HC4A,B,C,D,E,F,
G,H
2O7B0.7
HC4A2ZOH0.7
HC4A1GSW0.7
HC4A2QJ70.7
HC4A1F9I0.7
HC4X1UWP0.7
HC4A2PHY0.7
HC4A1T1B0.7
HC4A1F980.7
HC4A1T190.7
HC4X1UWN0.7
HC4A,B,C,D,E,F,
G,H
2O7F0.7
HC4A1UGU0.7
HC4A1TS80.7
HC4A,B1OTD0.7
HC4A1OTE0.7
HC4A1GSX0.7
HC4A1TS70.7
HC4A2PYR0.7
HC4A1S4S0.7
HC4A1GSV0.7
HC4A2I9V0.7
HC4A2QWS0.7
HC4A1XFN0.7
HC4A1S4R0.7
HC4A1T180.7
HC4A1OTA0.7
HC4A1D7E0.7
HC4A1S1Z0.7
HC4A,B,C1MZU0.7
HC4A,B1ODV0.7
HC4A,B2J3J0.7
HC4A2QJ50.7
HC4A1OTB0.7
HC4A2D020.7
HC4A1OT90.7
HC4A1NWZ0.7
HC4A1S1Y0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.76
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.79
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.71
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.79
NOANAPHTHYLOXYACETIC ACIDI1IVP0.79
T4AC,D1KGI0.81
T4AA,B1Z7J0.81
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.75
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid
A,B3BXS0.73
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.73
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.8
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.8
B76A,B2E9D0.75
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.74
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.74
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.81
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.79
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.74
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.79
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.78
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.78
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.82
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.71
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.81
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ60.76
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.71
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.7
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.85
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.85
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.71
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.71
EQUEQUILENINA,B1OGX0.72
EQUEQUILENINA,B,C,D,E,F1QJG0.72
EQUEQUILENINA,B1OH00.72
EQUEQUILENINA1W6Y0.72
EQUEQUILENINA,B1CQS0.72
EQUEQUILENINA1OGZ0.72
EQUEQUILENINA1GS30.72
EQUEQUILENINA1OHO0.72
AJA(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-
1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-
TETRAHYDRO-6H-BENZO[C]CHROMENE-
9-CARBOXYLIC ACID
A,B,C,D2OM90.77
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.77
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
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.81
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
ROLROLIPRAMA,B,C,D1OYN0.71
ROLROLIPRAMA,B1XMY0.71
ROLROLIPRAMA,B,C,D1Q9M0.71
ROLROLIPRAMA,B1RO60.71
ROLROLIPRAMA,B1XN00.71
ROLROLIPRAMA,B1TBB0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.75
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.73
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.77
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.7
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione
A,B3C9W0.73
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.8
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.74
AGGTIROFIBANA,B2VDM0.73
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.76
SWFS-WARFARINA,B1OG50.83
GENGENISTEINA1QKM0.71
GENGENISTEINA,B1X7J0.71
GENGENISTEINA,B2QA80.71
GENGENISTEINA1X7R0.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
SIGSTIGMATELLINC,D,E2BCC0.71
SIGSTIGMATELLINC,D,E3BCC0.71
PI6[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-
2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YLAMINO)-
2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER
A,B1B6M0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.78
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.78
VXXVANILLATEA,B1WB60.73
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.72
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.77
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.73
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.84
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
A2E140.75
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.7
8CM8-HYDROXYCOUMARINA2H8Z0.72
OHT4-HYDROXYTAMOXIFENA3ERT0.76
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.76
OHT4-HYDROXYTAMOXIFENA,B1VJB0.76
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.76
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.76
OHT4-HYDROXYTAMOXIFENA2GPU0.76
OHT4-HYDROXYTAMOXIFENA2P7Z0.76
OHT4-HYDROXYTAMOXIFENA,B2BJ40.76
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.76
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.71
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.74
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.74
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.8
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2BT40.84
MBSA,B1HY70.73
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.82
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.8
AI73-(heptyloxy)benzoic acidA,B2O3Z0.84
POD9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-
5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-
D][1,3]DIOXOL-6(5AH)-ONE
A,B,C,D1SA10.74
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.71
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.71
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.71
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.84
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
ESOO3-PHOSPHONOESTRONEB,C1ESS0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.75
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.74
FDSFLUORESCINH4FAB0.78
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate
A,B1MTR0.71
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.73
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.74
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.77
RWFR-WARFARINA,B2BXD0.83
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.73
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.72
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine
A,B,C,D2RJP0.73
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.72
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.72
SYRSYRINGATEA,B1WB50.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.81
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.81
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.8
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.8
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
MAXMATAIRESINOLA2BGM0.86
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Q700.75
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Z4B0.75
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
3A3A2CGU0.74
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.74
SMN(S)-MANDELIC ACIDA1MDL0.71
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.73
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol
A,B2QTU0.74
COUCOUMARINA3CRB0.75
COUCOUMARINA2PMJ0.75
COUCOUMARINA2H900.75
COUCOUMARINA,B,C,D1Z100.75
COUCOUMARINA2PWB0.75
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.85
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.85
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
A2PNU0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.78
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R
3H1I0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.72
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CXH0.72
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.72
SMASTIGMATELLIN AC,H,L,M2JBL0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.72
SMASTIGMATELLIN AA,C,D,E1KB90.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.72
SMASTIGMATELLIN AC,D,E2IBZ0.72
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CX50.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2FYN0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.72
SMASTIGMATELLIN AC,D,E1EZV0.72
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.72
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S
3H1J0.72
SMASTIGMATELLIN AC,D,E1SQX0.72
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.75
AFN8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1A1N1N0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.77
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.77
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.77
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.77
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.77
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.72
ANN4-METHOXYBENZOIC ACIDA2B960.79
ANN4-METHOXYBENZOIC ACIDA2QUE0.79
ANN4-METHOXYBENZOIC ACIDA1SV30.79
ANN4-METHOXYBENZOIC ACIDA1O2E0.79
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.79
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.76
ESLESTRIOLA1X8V0.7
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.76
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.81
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.74
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.7
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTV0.7
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTU0.7
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTS0.7
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
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.76
NARNARINGENINA,B2UXU0.74
NARNARINGENINA2BRT0.74
NARNARINGENINA1CGK0.74
NARNARINGENINA,B1EYQ0.74
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.77
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.8
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.81
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
OXNOXTOXYNOL-10A1IKT0.8
OXNOXTOXYNOL-10A,B2Q320.8
OXNOXTOXYNOL-10A,B1UEH0.8
OXNOXTOXYNOL-10A,B2D4Q0.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1R5L0.71
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1OIP0.71
T333,3'-DEIODO-THYROXINEA,B1THA0.74
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.74
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.73
CIOCILOMILASTA,B1XOM0.87
CIOCILOMILASTA,B1XLX0.87
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.76
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.86
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.76
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.76
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.78
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.73
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.71
MOAMYCOPHENOLIC ACIDA1ME70.71
MOAMYCOPHENOLIC ACIDA,B1JR10.71
MOAMYCOPHENOLIC ACIDA1MEI0.71
MOAMYCOPHENOLIC ACIDA1MEH0.71
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.91
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.75
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.73
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.75
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
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.76
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.74
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.79