Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03095854

Ligand	Ligand name	Chain	PDB	Tanimoto
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	L	1FLR	0.82
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	A,B	1N0S	0.82
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	C,L	1T66	0.82
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	A	1X9Q	0.82
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	A,D	2NMV	0.82
SXX	SINAPINATE	A,B	1WB4	0.72
SIG	STIGMATELLIN	C,D,E	2BCC	0.82
SIG	STIGMATELLIN	C,D,E	3BCC	0.82
DMM	3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN	A	215D	0.74
DMM	3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN	A	235D	0.74
DMM	3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN	A	234D	0.74
DMM	3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN	A,B	2DES	0.74
ERT	METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE	A,B	1TW2	0.75
ERT	METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE	A,B	1TW3	0.75
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID	A	2EVC	0.74
MNG	MENOGARIL	A,B	202D	0.72
SWF	S-WARFARIN	A,B	1OG5	0.76
DM4	1-O-DEMETHYL-6-DEOXYDOXORUBICIN	A	1D37	0.74
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.88
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	A	2O65	0.82
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE	A	2IWS	0.73
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.7
JJ3	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2JJ3	0.74
JJ3	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2QE4	0.74
ZCT		A,B,C,D,E,F,G,H	3B6A	0.75
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.7
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.7
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.84
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	0.81
HIB	4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-METHYLBENZOIC ACID	A	2PIK	0.74
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.74
NAR	NARINGENIN	A,B	2UXU	0.88
NAR	NARINGENIN	A	2BRT	0.88
NAR	NARINGENIN	A	1CGK	0.88
NAR	NARINGENIN	A,B	1EYQ	0.88
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,L,R	1Q90	0.82
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,G	2E76	0.82
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,E,N,O,P,Q,R	1VF5	0.82
DM8	2'-BROMO-4'-EPIDAUNORUBICIN	A	276D	0.73
DM8	2'-BROMO-4'-EPIDAUNORUBICIN	A	288D	0.73
DM8	2'-BROMO-4'-EPIDAUNORUBICIN	A	277D	0.73
DM8	2'-BROMO-4'-EPIDAUNORUBICIN	A,B	380D	0.73
DM8	2'-BROMO-4'-EPIDAUNORUBICIN	A,B	381D	0.73
DM8	2'-BROMO-4'-EPIDAUNORUBICIN	A	278D	0.73
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.75
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.75
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.75
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.75
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.75
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.74
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.74
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.73
DZN	DAIDZIN	A,B,C,D,E,F,G,H	2VLE	0.88
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID	A,B	2BXE	0.72
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID	A,B	3D2T	0.72
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE	A	2CGF	0.73
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID	A	2Q94	0.8
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.93
WST	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL	A,B	2POG	0.74
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.74
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one	A,B,C,D,E,F	3D04	0.9
5TN	(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID	A	2P1V	0.74
397	2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL	A,B	1U9E	0.71
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,B	3C9W	0.86
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER	A	1J5I	0.85
NGU	U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN	A,B	1D22	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE	A,B	2UXI	0.76
CPB	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE	A	1E1Y	0.74
CPB	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE	A,B	3BLR	0.74
CPB	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE	A	1C8K	0.74
941	2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID	A	1PYN	0.76
AFN	8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1	A	1N1N	0.74
GW6	(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl furan-2-carboxylate	A,B	3CLD	0.71
8MO	METHOXSALEN	A,B,C,D	1Z11	0.8
DRA	11-DEOXY-BETA-RHODOMYCIN	A,B	1XDS	0.73
KOM	7,8-dihydroxy-4-phenyl-2H-chromen-2-one	A	2ZVJ	0.76
DM1	DAUNOMYCIN	A	152D	0.76
DM1	DAUNOMYCIN	A,B,C,D	1O0K	0.76
DM1	DAUNOMYCIN	A	1JO2	0.76
DM1	DAUNOMYCIN	A,B	308D	0.76
DM1	DAUNOMYCIN	A	1D33	0.76
DM1	DAUNOMYCIN	A	110D	0.76
DM1	DAUNOMYCIN	A	1D11	0.76
DM1	DAUNOMYCIN	A	427D	0.76
DM1	DAUNOMYCIN	A	2D34	0.76
DM1	DAUNOMYCIN	A	3F8F	0.76
DM1	DAUNOMYCIN	A	1D10	0.76
DM1	DAUNOMYCIN	A	1DA0	0.76
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.72
DM7	4'-DEOXY-4'-IODODOXORUBICIN	A	1IMR	0.73
DM7	4'-DEOXY-4'-IODODOXORUBICIN	A	1IMS	0.73
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.71
EAA	ETHACRYNIC ACID	A,B	11GS	0.71
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.71
EAA	ETHACRYNIC ACID	A,B	2GSS	0.71
EAA	ETHACRYNIC ACID	A,B	3GSS	0.71
EAA	ETHACRYNIC ACID	A,B	1GSE	0.71
FL9		A,B	1THC	0.75
MOF	MOMETASONE FUROATE	A,B	1SR7	0.71
E3G	ESTRONE BETA-D-GLUCURONIDE	H,L	1CFV	0.77
HMK	(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL	A	1ZGA	0.72
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE	D,F	2NNL	0.88
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	A	2O64	0.83
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.75
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.75
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.71
DM2	DOXORUBICIN	A	2DR6	0.76
DM2	DOXORUBICIN	A	1P20	0.76
DM2	DOXORUBICIN	A	1I1E	0.76
DM2	DOXORUBICIN	A	151D	0.76
DM2	DOXORUBICIN	A	1D12	0.76
DM2	DOXORUBICIN	A	1DA9	0.76
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.71
P1S	(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL	A	1ZGJ	0.7
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.72
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.72
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid	A,B	3B6C	0.76
DM6	4'-EPIDOXORUBICIN	A	1D15	0.76
DM6	4'-EPIDOXORUBICIN	A	1D54	0.76
DM6	4'-EPIDOXORUBICIN	A	1D58	0.76
DM6	4'-EPIDOXORUBICIN	A	1QDA	0.76
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.77
7CA	5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE	A	2H44	0.91
DM3	6-DEOXYDAUNOMYCIN	A	1D14	0.76
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.83
S1A	SORAPHEN A	A,B	3GID	0.72
S1A	SORAPHEN A	A,B,C	1W96	0.72
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE	A	1TTM	0.7
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.72
VXX	VANILLATE	A,B	1WB6	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.76
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.71
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.71
RDC	RADICICOL	A,B	2Q8I	0.73
RDC	RADICICOL	A,B	1U0Z	0.73
RDC	RADICICOL	A	1BGQ	0.73
RDC	RADICICOL	B,D,F,H	2ZBK	0.73
RDC	RADICICOL	A	2HKJ	0.73
RDC	RADICICOL	A,B,C	3CGY	0.73
RDC	RADICICOL	A,B	2WER	0.73
MOA	MYCOPHENOLIC ACID	A	1ME7	0.78
MOA	MYCOPHENOLIC ACID	A,B	1JR1	0.78
MOA	MYCOPHENOLIC ACID	A	1MEI	0.78
MOA	MYCOPHENOLIC ACID	A	1MEH	0.78
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.79
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.79
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.79
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.79
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.79
NOD	N-ETHYLHYDROXY-DOXORUBICIN	A	385D	0.74
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN	C,D	1CJF	0.75
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.7
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.81
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.73
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	146D	0.76
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	207D	0.76
BRZ	6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE	C	1K3T	0.78
FDS	FLUORESCIN	H	4FAB	0.83
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.76
DXA	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE	A,B	1CP8	0.76
44D	7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE	A,B	1NAB	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.75
429	2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER	A	1QXK	0.73
INX	2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID	A	1G7G	0.74
MAR	4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN	A	1D36	0.75
MAR	4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN	A	1R68	0.75
MAR	4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN	A	1D35	0.75
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]	A	2Z9C	0.79
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]	A,B	1OOQ	0.79
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]	A,B,C,D,E,F,G,H	2F1O	0.79
GGT	Trioxacarcin A	A,B	3C2J	0.77
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE	A	1N5V	0.77
YR3	(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol	A	2ZFX	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.7
SYR	SYRINGATE	A,B	1WB5	0.77
FLV	FLAVIOLIN	A	1ZDW	0.72
FLV	FLAVIOLIN	A	1T93	0.72
FLV	FLAVIOLIN	A	2D09	0.72
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.77
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE	A	2IWU	0.73
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	A,B,C,D	3C1T	0.84
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	A	2O63	0.84
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	A	1E90	0.84
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	A,B,C,D	2IOD	0.84
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one	A,B	2QYO	0.86
DXB	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE	A,B	1BP8	0.76
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1GP5	0.89
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE	D,F	2C29	0.89
CMD	3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN	A	236D	0.72
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	A	2E14	0.87
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.8
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.72
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate	A	2ZA0	0.85
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.73
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.84
KWT	(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE	A	3D5X	0.73
KWT	(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE	A	1E7U	0.73
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.8
GEN	GENISTEIN	A	1QKM	0.85
GEN	GENISTEIN	A,B	1X7J	0.85
GEN	GENISTEIN	A,B	2QA8	0.85
GEN	GENISTEIN	A	1X7R	0.85
FLQ	N-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXAMIDE	C	2FDC	0.71
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE	A,B,C,D	2F98	0.76
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE	A	1SJW	0.76
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.73
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.7
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.72
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE	A	2IWX	0.73
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.71
OFF	2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID	A	2OFF	0.77
RWF	R-WARFARIN	A,B	2BXD	0.76
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.86
EGT	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL	A	1JNQ	0.75
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.84
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE	A	2C1Z	0.84
STG	ESTRIOL 3-(B-D-GLUCURONIDE)	H	2BFV	0.77
STG	ESTRIOL 3-(B-D-GLUCURONIDE)	H,L	1BFV	0.77
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1GP5	0.89
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1GP6	0.89
RUT	RUTIN	A,B	1RY8	0.85
TBH	5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID	B	1JF7	0.74
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.8
4MU	7-hydroxy-4-methyl-2H-chromen-2-one	A,B	3ETS	0.73
113	7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID	A,B	1KR3	0.8
113	7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID	A,B	1HLK	0.8
HZ3	dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate	A,B	2QR9	0.74
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,D	2OM9	0.79
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	2BT4	0.77
C01	(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE	A	1ZEO	0.74
REF	2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione	A	2ZJW	0.81
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.86
AKY		A,B,C,D	2IPI	0.74
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.78
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.78
POD	9-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,D	1SA1	0.72
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.73
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.78
MUG	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE	A,B,C,D	1CJP	0.76
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.8
NGM	NOGALAMYCIN	A,B,C,D	258D	0.73
NGM	NOGALAMYCIN	A	282D	0.73
NGM	NOGALAMYCIN	A,B	224D	0.73
NGM	NOGALAMYCIN	A,B	245D	0.73
NGM	NOGALAMYCIN	A,B	1QCH	0.73
NGM	NOGALAMYCIN	A	1D17	0.73
NGM	NOGALAMYCIN	A,B	1D21	0.73
NGM	NOGALAMYCIN	A,B	182D	0.73
694	4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID	A	2H4G	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F,G,H,I,J,K,L,M,N	2JJ2	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.84
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.84
AKT	10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)	A	1Q0R	0.73
AP1	{3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID	A,B	1BL4	0.71
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X78	0.7
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X7E	0.7
AKA	10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)	A	1Q0Z	0.73
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	A,B	1JEP	0.84
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	B,C	1JX1	0.89
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	A,B	1JX0	0.89
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	A,B	1FM7	0.89
BVL	(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	A	2ZBH	0.86
NOV	NOVOBIOCIN	A,B	1KIJ	0.73
NOV	NOVOBIOCIN	A,B	1S14	0.73
NOV	NOVOBIOCIN	A	1AJ6	0.73
3AS	(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol	A,B	2QTU	0.72
I0G	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2I0G	0.71
I0G	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B,C,D	2I0J	0.71
DM5	IDARUBICIN	A,B,D	198D	0.73
DM5	IDARUBICIN	A	1D38	0.73
DM5	IDARUBICIN	A	1D67	0.73
MAX	MATAIRESINOL	A	2BGM	0.73
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE	A,B	1D83	0.75
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE	A,B	1EKH	0.75
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE	A,B	1EKI	0.75
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE	A,B,C,D	1VAQ	0.75
SMA	STIGMATELLIN A	A,C,D,E,N,P,Q,R	3H1I	0.84
SMA	STIGMATELLIN A	A,B,C,D,E,F,G,O,P,Q,R,S,T	1PPJ	0.84
SMA	STIGMATELLIN A	A,C,D,E,L,N,O,P,W	3CXH	0.84
SMA	STIGMATELLIN A	C,D,E,P,Q,R	1ZRT	0.84
SMA	STIGMATELLIN A	C,H,L,M	2JBL	0.84
SMA	STIGMATELLIN A	A,B,C,D,E,F,G,I,N,O,P,Q,R,S,T,U,V,W	2A06	0.84
SMA	STIGMATELLIN A	A,B,C,D,E,F,G,H,I,J,K,L	2QJP	0.84
SMA	STIGMATELLIN A	A,C,D,E	1KB9	0.84
SMA	STIGMATELLIN A	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R	2QJK	0.84
SMA	STIGMATELLIN A	A,B,C,D,E,F,G,N,O,P,Q,R,S,T	1PP9	0.84
SMA	STIGMATELLIN A	C,D,E	2IBZ	0.84
SMA	STIGMATELLIN A	A,C,D,E,L,N,O,P,W	3CX5	0.84
SMA	STIGMATELLIN A	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R	2FYN	0.84
SMA	STIGMATELLIN A	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R	2QJY	0.84
SMA	STIGMATELLIN A	C,D,E	1EZV	0.84
SMA	STIGMATELLIN A	C,D,E,N,O,P,W	1KYO	0.84
SMA	STIGMATELLIN A	A,C,D,E,G,N,P,Q,R,S	3H1J	0.84
SMA	STIGMATELLIN A	C,D,E	1SQX	0.84