Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I60_2019M8 (2019 - Homo sapiens - Human family of nuclear receptors)
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Data.csv
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3D Common Core
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3D Models
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DB.fasta
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
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Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
REA - [nb=81] --> RETINOIC ACID
EST - [nb=50] --> ESTRADIOL
DHT - [nb=35] --> .....ALPHA-DIHYDROTESTOSTERONE
9CR - [nb=27] --> (9cis)-retinoic acid
OHT - [nb=24] --> 4-HYDROXYTAMOXIFEN
444 - [nb=23] --> .....PHENYL}BENZENESULFONAMIDE
4HY - [nb=21] --> .....IIODO-PHENYL]-ACETIC ACID
T3 - [nb=19] --> 3,5,3'TRIIODOTHYRONINE
1CA - [nb=19] --> DESOXYCORTICOSTERONE
EDK - [nb=18] --> .....enyl]amino]propanoic acid
VCA - [nb=18] --> VACCENIC ACID
GW9 - [nb=18] --> .....5-NITRO-N-PHENYLBENZAMIDE
STR - [nb=17] --> PROGESTERONE
DES - [nb=16] --> DIETHYLSTILBESTROL
IMN - [nb=16] --> INDOMETHACIN
ET1 - [nb=15] --> .....INDOL-3-YL}PROPANOIC ACID
BM6 - [nb=15] --> .....OXOLAN-2-YL]-BENZOIC ACID
TXF - [nb=15] --> .....-PHENYLPENT-1-ENYL)PHENOL
486 - [nb=14] --> .....PENTA[A]PHENANTHREN-3-ONE
DEX - [nb=14] --> DEXAMETHASONE
LG2 - [nb=12] --> .....YRIDINE-3-CARBOXYLIC ACID
471 - [nb=12] --> .....PHENYL}PROPYL)PROPANAMIDE
F15 - [nb=12] --> PENTADECANOIC ACID
OLA - [nb=12] --> OLEIC ACID
9HF - [nb=12] --> .....riazole-5-carboxylic acid
LRG - [nb=12] --> .....Y)-3-PHENYLPROPANOIC ACID
4M5 - [nb=12] --> .....,10,13,19-pentaenoic acid
TES - [nb=10] --> TESTOSTERONE
VDX - [nb=10] --> .....LENE-CYCLOHEXANE-1,3-DIOL
TBY - [nb=9] --> TRIBUTYLSTANNANYL
ACD - [nb=9] --> ARACHIDONIC ACID
65W - [nb=9] --> .....yl)phenoxy]propanoic acid
IL2 - [nb=9] --> .....H)-YLIDENE]PENTANOIC ACID
T9T - [nb=9] --> TRIPHENYLSTANNANYL
MYR - [nb=9] --> MYRISTIC ACID
TTB - [nb=9] --> .....)PROP-1-ENYL]BENZOIC ACID
PTG - [nb=9] --> .....,12,14-TETRAEN-1-OIC ACID
AZ2 - [nb=9] --> .....OXY)PHENYL]PROPANOIC ACID
MLO - [nb=9] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
90C - [nb=8] --> .....phenyl]pent-1-enyl]phenol
668 - [nb=8] --> .....yl}-N,N-dimethylbenzamide
6OX - [nb=8] --> .....imidazol-4-yl]propan-2-ol
DAO - [nb=8] --> LAURIC ACID
198 - [nb=8] --> R-BICALUTAMIDE
HFT - [nb=8] --> HYDROXYFLUTAMIDE
AJA - [nb=8] --> .....HROMENE-9-CARBOXYLIC ACID
MYI - [nb=7] --> .....1H-INDOL-3-YL)ACETIC ACID
CPS - [nb=7] --> .....MONIO]-1-PROPANESULFONATE
072 - [nb=7] --> .....PTYL-4-OXO-5-THIAZOLIDINE
Y1N - [nb=7] --> .....YL]PHENOXY]PROPANOIC ACID
3JX - [nb=7] --> .....IPHENYL-2-CARBOXYLIC ACID
EPH - [nb=7] --> .....-PHOSPHATIDYLETHANOLAMINE
44B - [nb=7] --> .....)AMINO]PHENYL}PROPAN-2-OL
MOF - [nb=7] --> MOMETASONE FUROATE
RAL - [nb=7] --> RALOXIFENE
SRL - [nb=7] --> .....HONIC ACID DIETHLYL ESTER
965 - [nb=7] --> .....ROPOXY)PHENYL]ACETIC ACID
7U7 - [nb=6] --> .....hyl)phenoxy]hexanoic acid
8RR - [nb=6] --> .....nyl]phenoxy]ethanoic acid
KN3 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
7KK - [nb=6] --> .....uorobenzene-1-sulfonamide
B72 - [nb=6] --> .....METHYLPHENOXY}ACETIC ACID
EQO - [nb=6] --> .....2-YL]ETHENYL}BENZOIC ACID
8A7 - [nb=6] --> .....,3-thiazolidine-2,4-dione
F22 - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
7UA - [nb=6] --> .....hyl)phenoxy]hexanoic acid
961 - [nb=6] --> .....ACETYLAMINO]-BENZOIC ACID
7SY - [nb=6] --> .....hyl}phenoxy)hexanoic acid
GNI - [nb=6] --> .....3-YL}-PHENYL)-ACETIC ACID
7HA - [nb=6] --> .....-(METHOXYCARBONYL)GLYCINE
7UY - [nb=6] --> .....hyl)phenoxy]hexanoic acid
RHN - [nb=6] --> .....HRACENE-2-CARBOXYLIC ACID
7U1 - [nb=6] --> .....hyl}phenoxy)hexanoic acid
3EA - [nb=6] --> .....]INDOL-1-YL}ETHANOIC ACID
331 - [nb=6] --> .....OXY)-2-METHYLBUTYRIC ACID
7V4 - [nb=6] --> .....hyl)phenoxy]hexanoic acid
241 - [nb=6] --> .....YL}PHENOXY)PROPANOIC ACID
JYI - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
I5W - [nb=6] --> .....-phenyl]prop-2-enoic acid
243 - [nb=6] --> .....CTADECA-9,11-DIENOIC ACID
KNA - [nb=6] --> NONANOIC ACID
047 - [nb=6] --> .....L-3-YL]METHYL}METHANAMINE
C03 - [nb=6] --> .....YL}PHENOXY)PROPANOIC ACID
EPA - [nb=6] --> .....,17-EICOSAPENTAENOIC ACID
7U4 - [nb=6] --> .....hyl)phenoxy]hexanoic acid
L41 - [nb=6] --> .....OPOXY]PHENOXY}ACETIC ACID
PEF - [nb=6] --> .....-PHOSPHATIDYLETHANOLAMINE
21P - [nb=6] --> .....IOXOLAN-2-YL]BENZOIC ACID
4HD - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
1NY - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
YFB - [nb=6] --> AMORFRUTIN B
7SS - [nb=6] --> .....hyl}phenoxy)hexanoic acid
7T1 - [nb=6] --> .....fanyl]phenoxy}acetic acid
Z00 - [nb=6] --> .....L-2-YL)BENZENESULFONAMIDE
7TY - [nb=6] --> .....hyl)phenoxy]hexanoic acid
9RA - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
240 - [nb=6] --> .....YL}PHENOXY)PROPANOIC ACID
CTM - [nb=6] --> .....L)-2-ETHOXYPROPANOIC ACID
RO7 - [nb=6] --> .....OPHEN-7-YL}PROPANOIC ACID
7V1 - [nb=6] --> .....hyl)phenoxy]hexanoic acid
NKS - [nb=6] --> .....LPHENOXY)CARBONYL]GLYCINE
WY1 - [nb=6] --> .....2-YL}SULFANYL)ACETIC ACID
SFI - [nb=6] --> .....]inden-1-yl]ethanoic acid
7UG - [nb=6] --> .....hyl)phenoxy]hexanoic acid
401 - [nb=6] --> .....THOXYBENZYL}BUTANOIC ACID
GEN - [nb=6] --> GENISTEIN
C3S - [nb=6] --> .....-EN-3-YL HYDROGEN SULFATE
SP3 - [nb=6] --> .....METHYL)BENZENESULFONAMIDE
7UD - [nb=6] --> .....hyl)phenoxy]hexanoic acid
538 - [nb=6] --> .....IPHENYL-2-CARBOXYLIC ACID
BIV - [nb=6] --> .....YLPENTYL)-, (1A,3B,5Z,7E)
YFD - [nb=6] --> AMORFRUTIN 2
7SV - [nb=6] --> .....hyl}phenoxy)hexanoic acid
8LX - [nb=6] --> .....,3-thiazolidine-2,4-dione
DY6 - [nb=6] --> .....RBONYL}AMINO)BENZOIC ACID
LUF - [nb=6] --> .....-5-HYDROXYFURAN-2(5H)-ONE
K09 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
JYH - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
R18 - [nb=6] --> .....LESTRA-4,9,11-TRIEN-3-ONE
LNA - [nb=6] --> .....CTADECA-9,12-DIENOIC ACID
KN1 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
SF2 - [nb=6] --> .....-INDOLE-2-CARBOXYLIC ACID
7SM - [nb=6] --> .....hyl}phenoxy)hexanoic acid
89L - [nb=6] --> .....4-methyl-hex-4-enoic acid
I0G - [nb=6] --> .....CYCLOPENTA[C]CHROMEN-8-OL
K08 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
BXG - [nb=6] --> .....in-4-yl)-5-nitrobenzamide
3EQ - [nb=6] --> .....ALEN-1-YL)OXY]ACETIC ACID
OCR - [nb=6] --> .....5,8,11,13-TETRAENOIC ACID
7UJ - [nb=6] --> .....hyl}phenoxy)hexanoic acid
CHD - [nb=6] --> CHOLIC ACID
K55 - [nb=6] --> .....THYL]BENZYL}BUTANOIC ACID
1FA - [nb=6] --> .....NDEN-4-YL)OXY]ACETIC ACID
5HE - [nb=5] --> .....,11,14,17-PENTAENOIC ACID
08S - [nb=5] --> .....ZOTHIOPHENE-2-CARBOXAMIDE
2OH - [nb=5] --> .....-PROPANE-2,2-DIYLDIPHENOL
EEY - [nb=5] --> .....N-(pyridin-4-yl)benzamide
61X - [nb=5] --> .....TRIFLUOROMETHYL)QUINOLINE
SRO - [nb=5] --> SEROTONIN
9HO - [nb=5] --> .....TADECA-10,12-DIENOIC ACID
GW5 - [nb=5] --> .....-ENYL]PHENYL}ACRYLIC ACID
GFV - [nb=5] --> .....droxy Pioglitazone (M-IV)
UNT - [nb=5] --> .....IAZOL-2-YL)PROPANOIC ACID
YFE - [nb=5] --> AMORFRUTIN 1
SF1 - [nb=5] --> .....-INDOLE-2-CARBOXYLIC ACID
4D8 - [nb=5] --> .....4-DIENE-4-CARBOXYLIC ACID
WLM - [nb=5] --> .....YL]PHENYL]ETHYL]BENZAMIDE
5BC - [nb=5] --> .....1H-INDOL-1-YL)ACETIC ACID
HIG - [nb=5] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
5OX - [nb=5] --> .....,14,17,20-PENTAENOIC ACID
Z27 - [nb=5] --> .....METHYL)BENZENESULFONAMIDE
S44 - [nb=5] --> .....THYL}BENZYL)BUTANOIC ACID
0KS - [nb=4] --> .....-METHYLBENZENESULFONAMIDE
82O - [nb=4] --> .....pyrrolidine-3-carboxamide
LX2 - [nb=4] --> .....1H-INDOL-1-YL]ACETIC ACID
4Q3 - [nb=4] --> .....-fluoro-N-methylbenzamide
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
PLB - [nb=4] --> .....IDIN-2-YLOXY)BENZOIC ACID
7EE - [nb=4] --> .....,4-trien-20-yne-3,17-diol
6Q5 - [nb=4] --> Ursolic acid
AS4 - [nb=4] --> ALDOSTERONE
NZA - [nb=4] --> .....-INDOLE-2-CARBOXYLIC ACID
MMB - [nb=4] --> .....ROPOXYIMINO)BUTANOIC ACID
3K2 - [nb=4] --> .....IPHENYL-2-CARBOXYLIC ACID
DRH - [nb=4] --> .....XY)-2-METHYLBUTANOIC ACID
ETC - [nb=4] --> .....TRAHYDROCHRYSENE-2,8-DIOL
OR8 - [nb=4] --> .....1H-PYRAZOLE-4-SULFONAMIDE
4KM - [nb=4] --> .....(trifluoromethyl)benzoate
1TA - [nb=4] --> Triamcinolone acetonide
66B - [nb=4] --> .....,15,18,21-PENTAENOIC ACID
AXY - [nb=4] --> .....yl-4-yloxy)propanoic acid
HV4 - [nb=4] --> .....ene-1,3-thiazolidin-4-one
KN0 - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
XGH - [nb=4] --> .....-2-methylpropyl)acetamide
LO2 - [nb=4] --> .....3,3-HEXAFLUOROPROPAN-2-OL
AEJ - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
PFA - [nb=4] --> .....ETHYL-PHENYL]-6-AZAURACIL
OBH - [nb=4] --> ......1]hept-5-ene-2-sulfonate
7EC - [nb=4] --> ......1]hept-5-ene-2-sulfonate
DC8 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
DIF - [nb=4] --> .....)AMINO]BENZENEACETIC ACID
29S - [nb=4] --> Bazedoxifene
6Q6 - [nb=4] --> .....ethoxyphenyl)propan-1-one
6Y8 - [nb=4] --> .....dropyrrolo[3,4-c]pyrazole
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
7EB - [nb=4] --> ......1]hept-5-ene-2-sulfonate
JJ3 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
98H - [nb=4] --> .....henanthrene-3,7(4H)-dione
4P3 - [nb=4] --> .....xy)biphenyl-3-carboxamide
G8Y - [nb=4] --> .....][1]benzoxepine-5,11-diol
67S - [nb=4] --> .....l)pyrimidin-5-yl}methanol
0KT - [nb=4] --> .....PHENYL)BENZENESULFONAMIDE
OCX - [nb=4] --> .....5,9,11,14-TETRAENOIC ACID
EEZ - [nb=4] --> .....sulfonylphenyl)ethanamide
IH5 - [nb=4] --> .....HENOXY]PHENYL}ACETIC ACID
AS0 - [nb=4] --> .....-11-YL]BENZALDEHYDE OXIME
98N - [nb=4] --> .....-b]pyridine-3-carboxamide
9NP - [nb=4] --> .....nzimidazol-1-yl}acetamide
O40 - [nb=4] --> .....BAMOYL]AMINO}BENZOIC ACID
6Y4 - [nb=4] --> .....l)pyrimidin-5-yl]methanol
AYO - [nb=4] --> .....amino]-6-oxohexanoic acid
P6L - [nb=4] --> .....PYL (8E)-OCTADEC-8-ENOATE
82R - [nb=4] --> .....ne-6,2'-oxane]-10,16-diol
244 - [nb=4] --> .....ZOFURAN-7-YL]ACETONITRILE
CO1 - [nb=4] --> .....OPENTA[A]PHENANTHREN-3-OL
O90 - [nb=4] --> .....LFANYL]PHENYL}ACETIC ACID
9P6 - [nb=4] --> .....xan-4-ylmethyl)ethanamide
2VR - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
33Y - [nb=3] --> .....,5-b]indole-5-carboxylate
2QO - [nb=3] --> .....YL-3-YL]PROP-2-ENOIC ACID
DRY - [nb=3] --> .....NDOL-5-YL)OXY]ACETIC ACID
394 - [nb=3] --> .....ACETYLAMINO]-BENZOIC ACID
L79 - [nb=3] --> .....AN-2-YL]-2-PROPENOIC ACID
R4M - [nb=3] --> .....ENE]OCTA-2,6-DIENOIC ACID
XDH - [nb=3] --> .....YLBIS(2,6-DICHLOROPHENOL)
EQN - [nb=3] --> .....RBONYL]AMINO}BENZOIC ACID
T53 - [nb=3] --> .....)phenyl]-3-nitrobenzamide
SP0 - [nb=3] --> .....L-5-YL]BENZENESULFONAMIDE
5TN - [nb=3] --> .....-2-YL)PHENYL]ACRYLIC ACID
208 - [nb=3] --> .....L)-2-ETHOXYPROPANOIC ACID
FCM - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
3SW - [nb=3] --> .....LOCTA-2,4,6-TRIENOIC ACID
P26 - [nb=3] --> .....IOXOLAN-2-YL]BENZOIC ACID
FHM - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
3RB - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
KRC - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
XPT - [nb=3] --> .....AMBDA~4~-SULFANYL]PROPANE
BGV - [nb=3] --> .....[6,5-B]FURAN-4-YL ACETATE
4CU - [nb=3] --> .....)phenyl]prop-2-enoic acid
E9T - [nb=3] --> .....thalene-2-carboxylic acid
5LO - [nb=3] --> .....-trien-11-yl]benzoic acid
3T2 - [nb=3] --> .....]OCTA-2,4,6-TRIENOIC ACID
HXA - [nb=3] --> .....0,13,16,19-HEXAENOIC ACID
754 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
7EH - [nb=3] --> .....azo[4,5-b]pyridin-2-amine
7MV - [nb=3] --> .....]-1H-indole-5-carboxamide
7TV - [nb=3] --> .....hyl)phenoxy]hexanoic acid
3E7 - [nb=3] --> .....]-1H-INDOLE-5-CARBOXAMIDE
M0T - [nb=3] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
564 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
76E - [nb=3] --> .....NZOXAZEPIN-7-YL]BENZAMIDE
Q35 - [nb=3] --> .....]-2-methyl-propanoic acid
SNL - [nb=3] --> SPIRONOLACTONE
14R - [nb=3] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
JJA - [nb=3] --> .....YL]AMINO}METHYL)BENZAMIDE
6Q7 - [nb=3] --> .....pyrazol-3-yl}benzoic acid
C01 - [nb=3] --> .....ISOXAZOL-6-YL)OXY]ACETATE
7O0 - [nb=3] --> .....]phenyl]prop-2-enoic acid
6F1 - [nb=3] --> .....hyl)benzene-1-sulfonamide
9R0 - [nb=3] --> .....hiazole-6-carboxylic acid
1BA - [nb=3] --> .....OPYLBENZYL)BENZOHYDRAZIDE
C08 - [nb=3] --> .....L-KAPPAN}PENTANOATO)BORON
HID - [nb=3] --> .....1H-INDOL-3-YL)ACETIC ACID
J57 - [nb=3] --> .....)phenyl]prop-2-enoic acid
1O8 - [nb=3] --> .....LOCTA-2,4,6-TRIENOIC ACID
8YB - [nb=3] --> .....sulfonylphenyl)ethanamide
JZN - [nb=3] --> .....L]CARBONYL}-D-PROLINAMIDE
T65 - [nb=3] --> .....idene)amino]ethanoic acid
EKP - [nb=3] --> .....l}-2-methylpropanoic acid
24L - [nb=3] --> .....THALEN-2-YL}BUTANOIC ACID
470 - [nb=3] --> .....YDROPENTALEN-3A(1H)-AMINE
7BE - [nb=3] --> .....omene]-6'-carboxylic acid
254 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
17L - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
RO0 - [nb=3] --> .....-1-YL]METHYL}ISOQUINOLINE
Z12 - [nb=3] --> .....PHENYL]BENZENESULFONAMIDE
DRF - [nb=3] --> .....OXY]PHENYL}PROPANOIC ACID
DRD - [nb=3] --> .....Y]-2-METHYLPROPANOIC ACID
13M - [nb=3] --> .....THYL}BENZYL)BUTANOIC ACID
B05 - [nb=3] --> .....)phenyl]-3-nitrobenzamide
4XW - [nb=3] --> .....14-decahydroretinoic acid
4TN - [nb=3] --> .....YDROXYPHENYL]ACRYLIC ACID
LX8 - [nb=3] --> .....-2-YL]PROPAN-2-YL ACETATE
CTI - [nb=3] --> .....,6-c]phenanthridin-12-ium
3OZ - [nb=3] --> .....METHYLPHENOXY]ACETIC ACID
RRG - [nb=3] --> .....L-4-YL]OXY}PROPANOIC ACID
GW0 - [nb=3] --> .....METHYLPHENOXY}ACETIC ACID
2VZ - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
652 - [nb=3] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
3TN - [nb=3] --> .....-2-YL)PHENYL]ACRYLIC ACID
BMS - [nb=3] --> .....ONYL)-AMINO]-BENZOIC ACID
GOL - [nb=3] --> GLYCEROL
VDP - [nb=3] --> .....nylbutyl)pyrrolidin-2-one
43M - [nb=3] --> 4-CHLORO-3-METHYLPHENOL
7VA - [nb=3] --> .....,3-thiazolidine-2,4-dione
5FB - [nb=3] --> .....FLUOROMETHYL)BENZONITRILE
40U - [nb=3] --> .....L}-2-CYCLOPROPYLACETAMIDE
2E3 - [nb=3] --> .....)PHENYL]PROP-2-ENOIC ACID
184 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
REW - [nb=3] --> .....ETIDINE-2-CARBOXYLIC ACID
156 - [nb=3] --> .....L)-PROPENYL]-BENZOIC ACID
ZAA - [nb=3] --> .....-TRIAZOL-4-YL)ACETIC ACID
SJZ - [nb=3] --> .....-phenyl]prop-2-enoic acid
KK4 - [nb=3] --> .....1,2,4-oxadiazol-5(4H)-one
0W3 - [nb=3] --> .....-DIOXODOCOS-16-ENOIC ACID
2W0 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
29V - [nb=3] --> .....ENE]OCTA-3,6-DIENOIC ACID
21L - [nb=3] --> .....APHTHALEN-2-YL}PROPANOATE
60R - [nb=3] --> .....~{H}-1,4-benzoxazin-3-one
MEI - [nb=3] --> .....YLDODECA-2,4-DIENOIC ACID
TEJ - [nb=3] --> .....,10,25(27)-TETRAEN-26-ONE
STL - [nb=3] --> RESVERATROL
6BH - [nb=3] --> .....)phenyl]-3-nitrobenzamide
FT7 - [nb=3] --> .....]-1H-indole-5-carboxamide
3SV - [nb=3] --> .....3,7-DIMETHYLOCTANOIC ACID
2VP - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
9R3 - [nb=3] --> .....hiazole-6-carboxylic acid
NDR - [nb=3] --> .....17-HYDROXYESTR-4-EN-3-ONE
GW4 - [nb=3] --> .....Y]PHENYL}PROPYL]ACETAMIDE
PIZ - [nb=3] --> .....-1,2-DIYL DIHEXADECANOATE
EKS - [nb=3] --> .....y}-2-methylpropanoic acid
8N6 - [nb=3] --> .....,3-thiazolidine-2,4-dione
4R8 - [nb=3] --> .....,13,16,19-PENTAENOIC ACID
735 - [nb=3] --> .....YL}PHENOXY)PROPANOIC ACID
L92 - [nb=3] --> .....YRROL-1-YL)PROPANOIC ACID
NSI - [nb=3] --> .....]-1H-INDOLE-2-CARBOXAMIDE
5FS - [nb=2] --> .....da~6~-thiophene-1,1-dione
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
041 - [nb=2] --> .....VINYL-1,3-BENZOXAZOL-5-OL
8A4 - [nb=2] --> .....1H-imidazol-5-yl)methanol
WV7 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
7FL - [nb=2] --> .....ylidenemethylene)diphenol
27H - [nb=2] --> FERUTININE
9KY - [nb=2] --> .....nzimidazol-1-yl}acetamide
TMY - [nb=2] --> .....-6-OCTANOYLPHENYL)ACETATE
5OS - [nb=2] --> .....-phenyl)furan-3-yl]phenol
9L4 - [nb=2] --> .....acetyl}amino)benzoic acid
HZ3 - [nb=2] --> .....5-DIENE-2,3-DICARBOXYLATE
36J - [nb=2] --> .....zoxacyclotetradecin-1-one
L8A - [nb=2] --> .....iperazin-1-yl)ethan-1-one
6WR - [nb=2] --> .....exahydro-1~{H}-inden-1-ol
ESL - [nb=2] --> ESTRIOL
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
643 - [nb=2] --> .....-INDOLE-3-CARBOXYLIC ACID
ZTW - [nb=2] --> RALOXIFENE CORE
7FP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
7FO - [nb=2] --> ......1]hept-5-ene-2-sulfonate
W14 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-7-OL
6WV - [nb=2] --> .....openta[a]phenanthren-3-ol
XDI - [nb=2] --> .....IYLBIS(2,6-DIBROMOPHENOL)
5J1 - [nb=2] --> .....-9-ylmethanediyl]diphenol
ARL - [nb=2] --> .....LOCTA-2,4,6-TRIENOIC ACID
442 - [nb=2] --> .....XY)PHENYL]ETHANE-1,1-DIOL
5HZ - [nb=2] --> .....idenemethanediyl]diphenol
FEZ - [nb=2] --> .....en-1-yl 4-hydroxybenzoate
EHA - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
9LY - [nb=2] --> .....nzimidazol-1-yl}acetamide
5OR - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
5HW - [nb=2] --> .....dene]methanediyl}diphenol
6WM - [nb=2] --> .....[a]phenanthrene-3,17-diol
5C4 - [nb=2] --> .....p-1-ene-1,1-diyl}diphenol
7E1 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
RJW - [nb=2] --> .....6a-hexahydropentalen-1-ol
9MD - [nb=2] --> .....[(2S)-oxan-2-yl]acetamide
EES - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
2PQ - [nb=2] --> .....Y]-2-METHYLPROPANOIC ACID
88J - [nb=2] --> .....yl)(pyridin-4-yl)methanol
15Q - [nb=2] --> .....METHYL]BIPHENYL-4,4'-DIOL
5G3 - [nb=2] --> .....l)methyl]benzene-1,3-diol
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
9LA - [nb=2] --> .....ohexylethoxy}benzoic acid
5KF - [nb=2] --> .....dene]methanediyl}diphenol
DGX - [nb=2] --> DIGOXIN
6WN - [nb=2] --> .....enta[a]phenanthren-17-one
5J2 - [nb=2] --> .....l)methyl]benzene-1,3-diol
DR9 - [nb=2] --> .....OYL PHOSPHATIDYL GLYCEROL
7EG - [nb=2] --> .....xyimino)methyl][1~1~,2~1~
7M4 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
1GQ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
7ED - [nb=2] --> .....-hydroxyphenyl)pentanoate
9N4 - [nb=2] --> .....-dimethylphenyl)acetamide
5FY - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
CLR - [nb=2] --> CHOLESTEROL
5KD - [nb=2] --> .....dene]methanediyl}diphenol
E3V - [nb=2] --> .....yl]cyclobutyl}acetic acid
MGZ - [nb=2] --> .....HYL)PHENOXY]ETHANOIC ACID
MSZ - [nb=2] --> .....HYL)PHENOXY]ETHANOIC ACID
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
866 - [nb=2] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
1GT - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
FNJ - [nb=2] --> .....lbutane-1,2-diyl]diphenol
CA9 - [nb=2] --> .....L-CYCLOHEX-4-ENE-1,3-DIOL
7E3 - [nb=2] --> .....yl]phenoxy}pentanoic acid
1GU - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
369 - [nb=2] --> .....)-7-METHYLNAPHTHALEN-2-OL
OFB - [nb=2] --> ......1]hept-5-ene-2-sulfonate
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
7FQ - [nb=2] --> .....,3,5(10)-triene-3,17-diol
6WS - [nb=2] --> .....enyl]-4-chloranyl-benzene
7FJ - [nb=2] --> .....lidene)methylene]diphenol
HEM - [nb=2] --> .....ORPHYRIN IX CONTAINING FE
7JY - [nb=2] --> .....yl]phenoxy}heptanoic acid
7J9 - [nb=2] --> .....-yl]phenoxy}hexanoic acid
458 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
4WH - [nb=2] --> .....-methyl-1H-1,2,3-triazole
7FS - [nb=2] --> .....stra-1(10),2,4-trien-3-ol
0CZ - [nb=2] --> .....PROPANE-2,2-DIYL)DIPHENOL
0L8 - [nb=2] --> .....DROXYMETHYL)BIPHENYL-4-OL
FSV - [nb=2] --> .....)ETHENYL]BENZENE-1,3-DIOL
7EF - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
P0E - [nb=2] --> PHOSPHATIDYL ETHANOL
RTF - [nb=2] --> .....2-yl]methoxy]benzoic acid
7FD - [nb=2] --> .....thyl]phenyl}prop-2-enoate
5C9 - [nb=2] --> .....t-1-ene-1,1-diyl)diphenol
5G5 - [nb=2] --> .....yl)carbonimidoyl]diphenol
9N7 - [nb=2] --> .....acetyl]amino}benzoic acid
064 - [nb=2] --> .....enyl)ethenyl]benzoic acid
9MY - [nb=2] --> .....droxycyclohexyl)acetamide
T98 - [nb=2] --> .....1H-PYRROLE-2-CARBONITRILE
GW6 - [nb=2] --> .....17-YL FURAN-2-CARBOXYLATE
5ET - [nb=2] --> .....5-diylbis(3-chlorophenol)
9KX - [nb=2] --> .....-1-yl]oct-4,6-diene-3-one
EK8 - [nb=2] --> .....POXYPHENYL]PROPANOIC ACID
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
CEK - [nb=2] --> .....O[B,D]FURAN-4-CARBOXAMIDE
5KG - [nb=2] --> .....dene]methanediyl}diphenol
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
EZT - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
P3A - [nb=2] --> .....LGLYCEROL-PHOSPHOGLYCEROL
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
0VQ - [nb=2] --> .....METHYL)OCTA-3,5-DIEN-2-OL
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
7FZ - [nb=2] --> .....2,3-dihydro-1H-inden-1-ol
1OH - [nb=2] --> .....THYL-1-PHENYLETHYL)PHENOL
86V - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
J3Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
C6V - [nb=2] --> .....)phenyl]prop-2-enoic acid
86Y - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
9MP - [nb=2] --> .....nzimidazol-1-yl}acetamide
36M - [nb=2] --> propyl 4-hydroxybenzoate
9XY - [nb=2] --> Endoxifen
5K7 - [nb=2] --> .....lidene]cyclohexyl}acetate
FMV - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
397 - [nb=2] --> .....XY-PHENYL)BENZOFURAN-5-OL
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
5KE - [nb=2] --> .....dene]methanediyl}diphenol
B1O - [nb=2] --> .....2-yl]methoxy]benzoic acid
7EM - [nb=2] --> .....ene-2,3,5-triyl)triphenol
OB3 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
5YI - [nb=2] --> .....RA-5,7,16-TRIENE-1,3-DIOL
5C7 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
7EO - [nb=2] --> .....1lambda~4~-thiophen-1-one
D9N - [nb=2] --> .....n-2-yl]oxymethyl]benzoate
7EQ - [nb=2] --> .....1lambda~4~-thiophen-1-one
W23 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
HC3 - [nb=2] --> 25-HYDROXYCHOLESTEROL
CFG - [nb=2] --> .....1,2-oxazole-5-carboxamide
7KL - [nb=2] --> .....]phenyl}prop-2-enoic acid
PIK - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
DRJ - [nb=2] --> .....XY)-2-METHYLBUTANOIC ACID
9KV - [nb=2] --> .....nzimidazol-1-yl]acetamide
7EV - [nb=2] --> .....yl]phenoxy}pentanoic acid
9NJ - [nb=2] --> .....ohexane-1-carboxylic acid
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
T44 - [nb=2] --> .....,5'-TETRAIODO-L-THYRONINE
29M - [nb=2] --> .....L-7-YL]METHANESULFONAMIDE
ORB - [nb=2] --> .....YLISOXAZOLE-4-SULFONAMIDE
B0X - [nb=2] --> .....2-yl]methoxy]benzoic acid
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
30X - [nb=2] --> .....LUOROETHYL)-L-ALANINAMIDE
TLS - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
WOW - [nb=2] --> .....N-3-YL]AMINO}BENZONITRILE
6OC - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
PLM - [nb=2] --> PALMITIC ACID
QSO - [nb=2] --> .....yphenyl)-4H-chromen-4-one
6QP - [nb=2] --> .....benzoxazin-6-yl]benzamide
5KB - [nb=2] --> .....dene]methanediyl}diphenol
8Y0 - [nb=2] --> .....ec-3-en-1-ylidene]glycine
GRR - [nb=2] --> .....Y)-3-PHENYLPROPANOIC ACID
JZS - [nb=2] --> .....1H-INDAZOL-1-YL)BENZAMIDE
GKK - [nb=2] --> .....BENZYL]AMINO}BENZONITRILE
9LS - [nb=2] --> .....(2-fluorophenyl)acetamide
CF7 - [nb=2] --> .....pholine-2,4-dicarboxamide
7M7 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
5KA - [nb=2] --> .....dene}methanediyl)diphenol
1GV - [nb=2] --> .....5-DIYLBIS(3-METHYLPHENOL)
5JY - [nb=2] --> .....dene)methanediyl]diphenol
3SX - [nb=2] --> .....-phenylmethanesulfonamide
ATE - [nb=2] --> 16,17-ANDROSTENE-3-OL
1GJ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
5K5 - [nb=2] --> .....idenemethanediyl]diphenol
DKD - [nb=2] --> .....)-3-PHENYL-PROPANOIC ACID
OBM - [nb=2] --> ......1]hept-5-ene-2-sulfonate
1GS - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
9LJ - [nb=2] --> .....yl)-2-cyclohexylacetamide
5CC - [nb=2] --> .....t-1-ene-1,1-diyl}diphenol
OB1 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
5G6 - [nb=2] --> .....nylcarbonimidoyl)diphenol
5DG - [nb=2] --> .....p-1-ene-1,1-diyl)diphenol
93U - [nb=2] --> .....yridine-3,5-dicarboxylate
1GR - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
7FG - [nb=2] --> .....thyl}phenyl)prop-2-enoate
XCX - [nb=2] --> .....Y)-2-METHYLPROPANOIC ACID
9LD - [nb=2] --> .....3-carbonyl}amino)benzoate
6EW - [nb=2] --> .....hyl)benzene-1-sulfonamide
5CK - [nb=2] --> .....yloctahydro-1H-inden-1-ol
5DH - [nb=2] --> .....2-phenylprop-2-enenitrile
NRO - [nb=2] --> .....L)FURAN-2-YL]BENZOIC ACID
4OA - [nb=2] --> .....HYDROXYCHOLAN-24-OIC ACID
7ER - [nb=2] --> .....da~6~-thiophene-1,1-dione
7FR - [nb=2] --> .....stra-1,3,5(10)-trien-3-ol
5J0 - [nb=2] --> .....droxyphenyl)methyl]phenol
7ES - [nb=2] --> .....-diyl)bis(3-fluorophenol)
77W - [nb=2] --> .....]phenyl}prop-2-enoic acid
RRH - [nb=2] --> .....L-4-YL]OXY}PROPANOIC ACID
OB8 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
XD5 - [nb=2] --> .....eptanyl] 4-azanylbenzoate
EDO - [nb=2] --> 1,2-ETHANEDIOL
YJD - [nb=2] --> .....YBENZIMIDAZOL-1-YL)PHENOL
AKX - [nb=2] --> .....dene-cyclohexane-1,3-diol
J2Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
5G4 - [nb=2] --> .....o]methyl}benzene-1,3-diol
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
6WU - [nb=2] --> .....},4,7-hexahydroinden-1-ol
39K - [nb=2] --> .....-PHENYLMETHANESULFONAMIDE
9MM - [nb=2] --> .....oxy}-3-fluorobenzoic acid
ZZH - [nb=2] --> .....Y)-3-PHENYLPROPANOIC ACID
HJ4 - [nb=2] --> .....-one (non-preferred name)
7M1 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
7K6 - [nb=2] --> .....yl]phenoxy}heptanoic acid
5K8 - [nb=2] --> .....]cyclohexyl}propanedioate
9M1 - [nb=2] --> .....,5-b]indole-5-carboxylate
3SN - [nb=2] --> .....lobutylbenzenesulfonamide
4Q7 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
T73 - [nb=2] --> .....an-2-yl 4-hydroxybenzoate
NBH - [nb=2] --> .....SULFONYL)PHENYL]ACETAMIDE
3QQ - [nb=2] --> .....no}pyridine-3-sulfonamide
ESE - [nb=2] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
7VX - [nb=2] --> .....picene-4a-carboxylic acid
99N - [nb=2] --> .....en-3-yl] hydrogen sulfate
J35 - [nb=2] --> .....HYL)BENZYL]PENTANOIC ACID
F7M - [nb=2] --> .....yl}pyridine-2-carboxamide
9MS - [nb=2] --> .....N,2-dicyclohexylacetamide
5FT - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
5CJ - [nb=2] --> .....l)octahydro-1H-inden-1-ol
PIQ - [nb=2] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
COH - [nb=2] --> .....ORPHYRIN IX CONTAINING CO
8XO - [nb=2] --> .....idene)amino]ethanoic acid
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
1HP - [nb=2] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
5ES - [nb=2] --> .....}ethene-1,1-diyl)diphenol
5P1 - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
D7E - [nb=2] --> .....]ETHYL]BENZENESULFONAMIDE
5G7 - [nb=2] --> .....yl)carbonimidoyl]diphenol
7G3 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
5G2 - [nb=2] --> .....da~6~-thiophene-1,1-dione
EE8 - [nb=2] --> .....-ethoxy-phenyl)ethanamide
7G1 - [nb=2] --> .....spirobi[indene]-1',5-diol
196 - [nb=2] --> .....-HYDROXY-1-NAPHTHONITRILE
T51 - [nb=2] --> .....)phenyl]-3-nitrobenzamide
4KQ - [nb=2] --> .....enyl]phenyl]ethanoic acid
CFJ - [nb=2] --> .....l)-3-methylpentanediamide
EED - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
5C6 - [nb=2] --> .....t-1-ene-1,1-diyl}diphenol
9N1 - [nb=2] --> .....nzimidazol-1-yl]acetamide
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
5C8 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
6WP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
CUE - [nb=2] --> Coumestrol
5CE - [nb=2] --> .....yloctahydro-1H-inden-1-ol
5RT - [nb=2] --> .....thyl]indole-4-sulfonamide
5DJ - [nb=2] --> .....lethene-1,1-diyl)diphenol
6WT - [nb=2] --> .....hlorophenyl)ethyl]benzene
782 - [nb=2] --> .....}phenyl)prop-2-enoic acid
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
NIW - [nb=2] --> .....yridine-3,5-dicarboxylate
85Z - [nb=2] --> .....]PHENYL]PROP-2-ENOIC ACID
5K0 - [nb=2] --> .....dene)methanediyl]diphenol
5CQ - [nb=2] --> .....yloctahydro-1H-inden-1-ol
IOK - [nb=2] --> .....L-1H-INDOL-3-YL)ACETAMIDE
4OH - [nb=2] --> .....-TRIENE-3,15,16,17-TETROL
6OB - [nb=2] --> .....CTADECA-8,12-DIENOIC ACID
OBB - [nb=2] --> ......1]hept-5-ene-2-sulfonate
WST - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-9-OL
6QW - [nb=2] --> .....phenyl-methanesulfonamide
5JX - [nb=2] --> .....dene]methanediyl}diphenol
F3D - [nb=2] --> .....o]-N,N-dimethylbutanamide
LLB - [nb=2] --> .....L)ETHOXY]PHENYL}METHANONE
4Q9 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
7G2 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
YA1 - [nb=2] --> .....OESTRA-5,7-DIENE-1,3-DIOL
6WQ - [nb=2] --> .....droxyphenyl)methyl]phenol
0VP - [nb=2] --> .....BIPHENYL-4-YL)PENTAN-3-OL
697 - [nb=2] --> .....BENZOFURAN-7-CARBONITRILE
NOG - [nb=2] --> .....ETA-HYDROXYGON-4-EN-3-ONE
XBR - [nb=2] --> .....L-2(9H)-YL)PROPANOIC ACID
7G0 - [nb=2] --> .....yloctahydro-1H-inden-1-ol
27J - [nb=2] --> ALPHA-ZEARALANOL
G9J - [nb=2] --> .....thyl-2H-1-benzopyran-6-ol
YRG - [nb=2] --> .....Y)-3-PHENYLPROPANOIC ACID
OBC - [nb=2] --> ......1]hept-5-ene-2-sulfonate
BPZ - [nb=2] --> .....LOHEXANE-1,1-DIYLDIPHENOL
5K1 - [nb=2] --> .....dene]methanediyl}diphenol
LU2 - [nb=2] --> .....IHYDROXY-4H-CHROMEN-4-ONE
OEF - [nb=2] --> .....OPYL-PHENOXY)BENZOIC ACID
H97 - [nb=2] --> .....OESTRA-5,7-DIENE-1,3-DIOL
M7S - [nb=2] --> .....HYL}PHENYL)PROPANOIC ACID
Q97 - [nb=2] --> .....t-1-ene-1,2-diyl]diphenol
85M - [nb=2] --> .....ydro-2H-1-benzopyran-7-ol
9NA - [nb=2] --> .....droxycyclohexyl)acetamide
ODE - [nb=2] --> .....T-5-ENE-2,3-DICARBOXYLATE
27E - [nb=2] --> CHLORDECONE
5VN - [nb=2] --> Caulophyllogenin
ZER - [nb=2] --> .....tetradecine-1,7(8H)-dione
9LP - [nb=2] --> .....clohexyl hydrogen sulfate
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
9A0 - [nb=2] --> .....ethyl-N-phenylpropanamide
4LQ - [nb=2] --> .....phthalen-1-yl-propanamide
E3S - [nb=2] --> .....soquinoline-1-carboxamide
LLC - [nb=2] --> .....YLETHOXY)PHENYL]METHANONE
M7R - [nb=2] --> .....HYL}PHENYL)PROPANOIC ACID
OB9 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
OB2 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
6WL - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
EI1 - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
G91 - [nb=2] --> .....][1]benzoxepine-5,11-diol
9L7 - [nb=2] --> .....N,2-dicyclohexylacetamide
7EN - [nb=2] --> .....1lambda~4~-thiophen-1-one
17M - [nb=2] --> .....17-ALPHA-DIHYDROEQUILENIN
G58 - [nb=2] --> .....H-IMIDAZOLE-4-SULFONAMIDE
3AS - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
QZQ - [nb=2] --> Betulinic Acid
6WW - [nb=2] --> .....openta[a]phenanthren-3-ol
5FV - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
RTE - [nb=2] --> .....2-yl]methoxy}benzoic acid
D30 - [nb=2] --> .....ALEN-1-YL)OXY]ACETIC ACID
EK1 - [nb=2] --> .....HYL)PHENYL]PROPANOIC ACID
EF5 - [nb=2] --> .....3-thiazol-2-yl]ethanamide
ET0 - [nb=2] --> .....INDOL-3-YL)PROPANOIC ACID
9ND - [nb=2] --> .....lohexyl-N-phenylacetamide
A48 - [nb=2] --> .....IFLUOROETHYL)AMINO]PHENOL
G24 - [nb=2] --> .....METHYLPHENOXY]ACETIC ACID
5K4 - [nb=2] --> .....dene]methanediyl}diphenol
BJB - [nb=2] --> .....-indol-2-yl]butanoic acid
5EU - [nb=2] --> .....-diyl)bis(3-chlorophenol)
7EL - [nb=2] --> .....[1,1'-biphenyl]-3,4'-diol
OBT - [nb=2] --> .....]hept-5-ene-2-sulfonamide
9WD - [nb=2] --> .....iperidin-1-yl}ethan-1-one
5K2 - [nb=2] --> .....idenemethanediyl)diphenol
Q6Y - [nb=2] --> .....-pyrimidine-5-carboxamide
5HX - [nb=2] --> .....dene(phenyl)methyl]phenol
KN2 - [nb=2] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
4F1 - [nb=2] --> .....indazol-3-yl}benzoic acid
1GM - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
91W - [nb=1] --> .....dene-cyclohexane-1,3-diol
RFP - [nb=1] --> RIFAMPICIN
YW2 - [nb=1] --> .....oestra-5,7-diene-1,3-diol
E4D - [nb=1] --> .....ENZO[B][1,4]OXATHIIN-6-OL
DKA - [nb=1] --> DECANOIC ACID
WFF - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
0CO - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
ECV - [nb=1] --> .....l]-~{N}-methyl-ethanamide
9GS - [nb=1] --> .....dine]-1'(2'H)-carboxamide
TEY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
VD1 - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
23R - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
HC9 - [nb=1] --> .....)-CHOLEST-5-ENE-3,22-DIOL
LSJ - [nb=1] --> .....PHENYL}METHANESULFONAMIDE
927 - [nb=1] --> .....yl}amino]phenyl}benzamide
EY8 - [nb=1] --> .....n-3-yl]methanesulfonamide
GQD - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
TT2 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
3EV - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
8C0 - [nb=1] --> .....dene-cyclohexane-1,3-diol
FJG - [nb=1] --> .....obutane-1-carboxylic acid
8J3 - [nb=1] --> .....dene-cyclohexane-1,3-diol
B7G - [nb=1] --> .....YL-BETA-D-GLUCOPYRANOSIDE
0S4 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
E05 - [nb=1] --> .....dene]cyclohexane-1,3-diol
EYN - [nb=1] --> .....l]-~{N}-methyl-ethanamide
TKA - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
ZNE - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
BWE - [nb=1] --> .....sulfonylphenyl)ethanamide
VDB - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
TK3 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
C0R - [nb=1] --> CORTICOSTERONE
KE9 - [nb=1] --> .....-1-YL)PHENYL)ACRYLIC ACID
87J - [nb=1] --> .....hyl)pyridin-3-yl]methanol
3KL - [nb=1] --> .....)-3-OXOCHOLAN-24-OIC ACID
3AJ - [nb=1] --> .....)CYCLOPROPANECARBONITRILE
BHM - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
HFN - [nb=1] --> .....-1,4-benzoxazin-3(4H)-one
CM4 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
QHG - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
T35 - [nb=1] --> .....]-2-methyl-propanoic acid
EB1 - [nb=1] --> SEOCALCITOL
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
OB4 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
6QE - [nb=1] --> .....yclopropane-1-sulfonamide
DS3 - [nb=1] --> .....HYLPHENOXY}PENTANOIC ACID
10R - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
4P1 - [nb=1] --> .....n-6-yl]-N-methylbenzamide
3WG - [nb=1] --> Trans-nonachlor
79U - [nb=1] --> .....indazol-1-yl]benzoic acid
921 - [nb=1] --> .....idin-4-yl)cyclohexyl]urea
W07 - [nb=1] --> .....]PHENOXY}PROPANE-1,2-DIOL
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
8FF - [nb=1] --> .....}-pyrrol-2-yl)octan-1-one
8BF - [nb=1] --> .....dene-cyclohexane-1,3-diol
6DS - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
8VM - [nb=1] --> .....l)thiophene-2-carboxamide
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
3B6 - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
AIU - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
VHW - [nb=1] --> .....LATE (NON-PREFERRED NAME)
YS2 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
8BL - [nb=1] --> .....hydroxyphenyl)hexan-1-one
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
77T - [nb=1] --> .....-yl]-3-methylbenzonitrile
3WF - [nb=1] --> Ethinyl estradiol
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
41V - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
0VO - [nb=1] --> .....3-ETHYLNONA-4,6-DIEN-3-OL
FBR - [nb=1] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
088 - [nb=1] --> .....-1-YL)METHYL]BENZOIC ACID
MVD - [nb=1] --> .....A,25-DIHYDROXY-VITAMIN D3
B67 - [nb=1] --> .....FLUOROPHENOXY)PROPANAMIDE
9CW - [nb=1] --> .....dene-cyclohexane-1,3-diol
YI4 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
71W - [nb=1] --> .....6a-hexahydropentalen-1-ol
6VH - [nb=1] --> .....dene-cyclohexane-1,3-diol
056 - [nb=1] --> .....LFANYLMETHYL]BENZOIC ACID
YI2 - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
9L1 - [nb=1] --> .....ene-1,3-dicarboxylic acid
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
DS2 - [nb=1] --> .....METHYLPHENOXY}ACETIC ACID
YI3 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
YA2 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
8Y5 - [nb=1] --> .....sulfonylphenyl)ethanamide
GLC - [nb=1] --> SUGAR (ALPHA-D-GLUCOSE)
YTZ - [nb=1] --> .....L-2-YL)BENZENESULFONAMIDE
DAY - [nb=1] --> .....L-1-YL]-2-HYDROXYETHANONE
A2K - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
DS5 - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
B9W - [nb=1] --> .....yl-butan-2-yl]propanamide
6Q0 - [nb=1] --> .....methyl]benzenesulfonamide
TKD - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
9MA - [nb=1] --> .....azo[1,2-a]pyridin-3-amine
LHP - [nb=1] --> .....OYLOXY)CHOLAN-24-OIC ACID
4CX - [nb=1] --> .....sulfonyl)phenyl]acetamide
G72 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
VQI - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
NYA - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
BOG - [nb=1] --> SUGAR (B-OCTYLGLUCOSIDE)
93O - [nb=1] --> .....yridine-3,5-dicarboxylate
9MV - [nb=1] --> .....H)-yl}methyl)benzoic acid
LG7 - [nb=1] --> .....(3H)-YL]-1-NAPHTHONITRILE
MC9 - [nb=1] --> CALCIPOTRIOL
4TU - [nb=1] --> .....HYDROINDOLE-1-CARBOXAMIDE
AIT - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
C5D - [nb=1] --> .....DENE]CYCLOHEXANE-1,3-DIOL
B66 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
97A - [nb=1] --> .....fluoromethyl)benzonitrile
DZW - [nb=1] --> .....dene]cyclohexane-1,3-diol
90L - [nb=1] --> .....l)cyclohex-4-ene-1,3-diol
YS5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
2MV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
VD2 - [nb=1] --> .....THYL-CYCLOHEXANE-1,3-DIOL
LOA - [nb=1] --> .....TYLOXY)CHOLAN-24-OIC ACID
9NG - [nb=1] --> .....ylthiophene-2-sulfonamide
VD5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
8Y8 - [nb=1] --> .....sulfonylphenyl)ethanamide
CM3 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
PK1 - [nb=1] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
L4G - [nb=1] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
B68 - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
YS9 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
8J0 - [nb=1] --> .....dene-cyclohexane-1,3-diol
9LG - [nb=1] --> .....-c]pyridine-2-carboxamide
KB0 - [nb=1] --> .....yl-3-phenyl-1H-inden-5-ol
EWN - [nb=1] --> .....~{H}-1,4-benzoxazin-3-one
TCE - [nb=1] --> .....ANETRIYLTRIPROPANOIC ACID
YSV - [nb=1] --> .....ylenecyclohexane-1,3-diol
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
KH1 - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
NEQ - [nb=1] --> N-ETHYLMALEIMIDE
HC2 - [nb=1] --> 20-HYDROXYCHOLESTEROL
K10 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
2S0 - [nb=1] --> .....HENANTHREN-17-YL] ACETATE
9O1 - [nb=1] --> .....1,2-oxazole-4-carboxamide
B5R - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
F7J - [nb=1] --> .....l-1H-indol-5-yl}benzamide
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
VD4 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
17H - [nb=1] --> .....PREGNA-4,9,11-TRIEN-3-ONE
98E - [nb=1] --> .....lpyrimidine-5-carboxamide
MCZ - [nb=1] --> .....NA-5,7,10-TRIENE-1,3-DIOL
STE - [nb=1] --> STEARIC ACID
CV7 - [nb=1] --> .....ESISOBUYTYRYL CICLESONIDE
ED9 - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
T08 - [nb=1] --> .....LPHENOXY}PROPANE-1,2-DIOL
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
DLC - [nb=1] --> .....nylethyl)pyrrolidin-2-one
8C9 - [nb=1] --> .....hydroxyphenyl)octan-1-one
7QN - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
JC1 - [nb=1] --> .....DENE-CYCLOHEXANE-1,3-DIOL
DS4 - [nb=1] --> .....BIPHENYL-4-YL]ACETIC ACID
VYI - [nb=1] --> .....-1,4-BENZOXAZEPIN-6-AMINE
8W8 - [nb=1] --> .....yl)propan-2-yl]ethanamide
R8C - [nb=1] --> .....ENYLPROPAN-2-YL]ACETAMIDE
W12 - [nb=1] --> .....]PHENOXY}PROPANE-1,2-DIOL
B0B - [nb=1] --> .....thylidene-cyclohexan-1-ol
LGB - [nb=1] --> .....INO}-3-METHYLBENZONITRILE
8Y2 - [nb=1] --> .....)thiophen-2-yl]ethanamide
PLC - [nb=1] --> .....ECYL PHOSPHATIDYL CHOLINE
0U3 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
51Y - [nb=1] --> .....ino}-3-methylbenzonitrile
IOG - [nb=1] --> .....)-1H-INDOL-3-YL]ACETAMIDE
CID - [nb=1] --> .....(3,4-DICHLOROBENZYL)OXIME
OB5 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
JJB - [nb=1] --> .....yl]amino}methyl)benzamide
LGD - [nb=1] --> .....METHYL)QUINOLIN-2(1H)-ONE
D5H - [nb=1] --> .....pentene-1-carboxylic acid
DS6 - [nb=1] --> .....HYLPHENOXY]PENTANOIC ACID
484 - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
9M4 - [nb=1] --> .....ino)-2-oxoethyl]benzamide
YSL - [nb=1] --> .....dene-cyclohexane-1,3-diol
AIH - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
CDZ - [nb=1] --> .....)CYCLOHEXA-2,4-DIEN-1-ONE
J0W - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
RLJ - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
MI4 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
WFG - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
E0E - [nb=1] --> .....dene]cyclohexane-1,3-diol
JB1 - [nb=1] --> .....DENE-CYCLOHEXANE-1,3-DIOL
10S - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
4Y5 - [nb=1] --> .....-yl}-3-fluorobenzoic acid
B9Q - [nb=1] --> .....l]cyclopropanecarboxamide
4CZ - [nb=1] --> .....,3-thiazol-2-yl}acetamide
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
9LV - [nb=1] --> .....H)-yl}methyl)benzoic acid
2Q4 - [nb=1] --> .....YDROXY-3-METHYLBUTANAMIDE
AYT - [nb=1] --> .....thylidene-cyclohexan-1-ol
41W - [nb=1] --> .....DENE]CYCLOHEXANE-1,3-DIOL
BKY - [nb=1] --> .....enoxy}methyl)benzoic acid
LX3 - [nb=1] --> .....dene]cyclohexane-1,3-diol
43V - [nb=1] --> .....sulfonyl)phenyl]acetamide
P42 - [nb=1] --> .....YLAMMONIO)ETHYL PHOSPHATE
ICJ - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
0VK - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
OB7 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
OKH - [nb=1] --> .....IDAZOLE-6-CARBOXYLIC ACID
HCJ - [nb=1] --> .....olo[3,2-a]pyrimidin-7-one
9KR - [nb=1] --> .....inden-1-yl]oct-2-en-4-one
2KB - [nb=1] --> .....en-2-yl]oxy}butanenitrile
9LM - [nb=1] --> .....-c]pyridine-1-carboxamide
5IM - [nb=1] --> .....INYL)-1,3-THIAZOL-4-AMINE
J53 - [nb=1] --> .....THYL]BENZYL}BUTANOIC ACID
XE4 - [nb=1] --> .....]ETHYLIDENE]-, (1R,3S,5Z)
YR3 - [nb=1] --> .....LPHENOXY}PROPANE-1,2-DIOL
77U - [nb=1] --> .....-yl]-3-methylbenzonitrile
4Y6 - [nb=1] --> .....x-3-ene-1-carboxylic acid
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
YR4 - [nb=1] --> .....YLPHENOXY}BUTANE-1,4-DIOL
YS3 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
C33 - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
8W5 - [nb=1] --> .....}]icosa-14,17-dien-16-one
PTI - [nb=1] --> .....TRAHYDRO-ISOQUINOLIN-6-OL
B9T - [nb=1] --> .....bis(fluoranyl)propanamide
PK0 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
6QG - [nb=1] --> .....20,23-octaene-17,17-dione
VDZ - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
ZYD - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
O11 - [nb=1] --> .....]PHENOXY}PROPANE-1,2-DIOL
9K0 - [nb=1] --> .....nden-1-yl]hept-1-en-3-one
YSD - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
9M7 - [nb=1] --> .....1,2-oxazole-4-carboxamide
93R - [nb=1] --> .....yridine-3,5-dicarboxylate
4Y7 - [nb=1] --> .....oro-2-hydroxybenzoic acid
COV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
7ET - [nb=1] --> ......1]hept-5-ene-2-sulfonate
OB6 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
TFY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
8NH - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
TX5 - [nb=1] --> .....DENE)CYCLOHEXANE-1,3-DIOL
NN7 - [nb=1] --> .....METHYL-BENZENESULFONAMIDE
JAD - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
90O - [nb=1] --> .....l)cyclohex-4-ene-1,3-diol
VDA - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
A7W - [nb=1] --> 8-AMINO-3-QUINOLINOL
XD4 - [nb=1] --> .....-azanyl-3-methyl-benzoate
YSE - [nb=1] --> .....dene-cyclohexane-1,3-diol
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
OCC - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
C3O - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
9NM - [nb=1] --> .....uorophenyl)prop-2-enamide
AYK - [nb=1] --> .....N}-propan-2-yl-butanamide
PNU - [nb=1] --> .....ANYL)-PYRIMIDIN-4-YLAMINE
YNU - [nb=1] --> eplerenone
LD1 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
9FG - [nb=1] --> .....1H-pyrrole-2-carbonitrile
EEU - [nb=1] --> .....RIDINIUM TETRAACETIC ACID
CA4 - [nb=1] --> CYPROTERONE ACETATE
AIJ - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
M7E - [nb=1] --> .....-25-O-CARBONYL-VITAMIN D3
C3D - [nb=1] --> .....TETRAHYDRONAPHTHALEN-2-OL
EIM - [nb=1] --> .....DENE-CYCLOHEXANE-1,3-DIOL
92A - [nb=1] --> .....2-yl]-4-methylpentanamide
ORC - [nb=1] --> .....YLISOXAZOLE-4-SULFONAMIDE
RLL - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
ZXG - [nb=1] --> .....L]PHENYL HYDROGEN SULFATE
0X0 - [nb=1] --> .....hylpentan-3-yl)ethanamide
H8W - [nb=1] --> .....-yl]phenyl]propanoic acid
O1C - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
8BO - [nb=1] --> .....dene-cyclohexane-1,3-diol
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
RB1 - [nb=1] --> .....IMIDIN-3-YL)METHYL]PHENOL
ENM - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
ZK5 - [nb=1] --> 9ALPHA-FLUOROCORTISOL
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
H_NR3A1_ERa
502
100%
0.34
PF00105
C1_S1
538 -
(0)
20
132
/
327
/
43
214
2
H_NR1C3_PPARg
345
100%
0.44
PF00105
C1_S1
583 -
(0)
20
99
/
153
/
89
194
3
H_NR1C1_PPARa
294
100%
0.47
PF00105
C1_S1
403 -
(0)
20
49
/
135
/
104
163
4
H_NR1C2_PPARb
262
100%
0.53
PF00105
C1_S1
354 -
(0)
20
66
/
106
/
87
153
5
H_NR1I1_VDR
147
84%
0.42
PF00105
C1_S1
148 -
(0)
20
137
/
10
/ -
119
6
H_NR1H4_FXR
126
100%
0.33
PF00105
C1_S1
129 -
(0)
20
102
/
15
/
9
75
7
H_NR1F3_RORg
155
100%
0.28
PF00105
C2_S1
178 -
(0)
20
82
/
59
/
14
74
8
H_NR2B3_RXRg
97
88%
0.32
PF00105
C1_S1
102 -
(0)
20
27
/
52
/
13
47
9
H_NR2B2_RXRb
97
100%
0.27
PF00105
C1_S1
101 -
(0)
20
27
/
53
/
12
46
10
H_NR2B1_RXRa
97
100%
0.38
PF00105
C1_S1
102 -
(0)
20
27
/
52
/
12
46
11
H_NR3C4_ANDR
101
100%
0.21
-
C2_S1
119 -
(0)
20
6
/
81
/
14
38
12
H_NR3A2_ERb
68
100%
0.28
PF00105
C1_S1
77 -
(0)
20
3
/
53
/
12
30
13
H_NR3C2_MCR
49
99%
0.16
PF00105
C1_S1
59 -
(0)
20
9
/
40
/
1
23
14
H_NR3C1_GCR
58
99%
0.20
PF00105
C1_S1
95 -
(0)
20
24
/
27
/
8
22
15
H_NR1H2_LXRb
47
100%
0.45
PF00105
C1_S1
54 -
(0)
20
31
/
11
/
3
20
16
H_NR1H3_LXRa
52
100%
0.37
PF00105
C1_S1
62 -
(0)
20
33
/
15
/
4
20
17
H_NR3C3_PRGR
45
100%
0.22
PF00105
C1_S1
55 -
(0)
20
8
/
31
/
4
20
18
H_NR1B3_RARg
32
100%
0.49
PF00105
C1_S1
33 -
(0)
20
22
/
9
/
1
18
19
H_NR1B1_RARa
32
100%
0.33
PF00105
C1_S1
33 -
(0)
20
22
/
8
/
2
18
20
H_NR1B2_RARb
32
100%
0.32
PF00105
C1_S1
33 -
(0)
20
22
/
8
/
2
18
21
H_NR1I2_PXR
25
100%
0.42
PF00105
C1_S1
26 -
(0)
19
3
/
18
/
4
13
22
H_NR3B2_ERRb
27
79%
0.27
PF00105
C1_S1
29 -
(0)
19
2
/
20
/
5
12
23
H_NR3B1_ERRa
27
100%
0.28
PF00105
C1_S1
31 -
(0)
19
4
/
19
/
4
12
24
H_NR5A2_LRH1
25
100%
0.30
PF00105
C1_S1
31 -
(0)
18
20
/
5
/ -
12
25
H_NR3B3_ERRg
24
100%
0.32
PF00105
C1_S1
26 -
(0)
17
3
/
17
/
3
10
26
H_NR1A1_THRa
30
100%
0.20
PF00105
C1_S1
30 -
(0)
14
- /
28
/
2
9
27
H_NR5A1_STF1
11
99%
0.32
PF00105
C1_S1
11 -
(0)
17
10
/
1
/ -
9
28
H_NR1A2_THRb
30
100%
0.29
PF00105
C1_S1
30 -
(0)
14
8
/
22
/ -
9
29
H_NR1F2_RORb
7
98%
0.44
PF00105
C1_S1
9 -
(0)
18
1
/
6
/ -
6
30
H_NR1F1_RORa
7
100%
0.36
PF00105
C1_S1
9 -
(0)
19
2
/
4
/ -
5
31
H_NR2A2_HNF4g
7
100%
0.24
PF00105
C1_S1
7 -
(0)
5
- /
2
/
5
3
32
H_NR2A1_HNF4a
7
100%
0.28
PF00105
C1_S1
7 -
(0)
5
- /
2
/
5
3
33
H_NR1D1_REVa
2
71%
0.18
-
C2_S1
2 -
(0)
2
2
/ - / -
2
34
H_NR1I3_CAR
3
98%
0.41
PF00105
C1_S1
3 -
(0)
3
1
/
2
/ -
2
35
H_NR1D2_REVb
2
99%
0.23
-
C2_S1
2 -
(0)
2
2
/ - / -
2
36
H_NR4A1_NGFIB
27
100%
0.28
PF00105
C1_S1
29 -
(0)
3
- / - /
3
2
37
H_NR4A2_NURR1
27
65%
0.27
PF00105
C1_S1
29 -
(0)
3
- / - /
1
1
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