Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000586 (2017 - Streptococcus pneumoniae - STRR6: Streptococcus pneumoniae (strain ATCC BAA-255 / R6))
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Data.csv
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3D Models
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Full name of ligand selected in the comparative docking column:
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Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
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‹μMol
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‹mMol
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Query Sequence
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Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
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Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
ADP - [nb=595] --> ADENOSINE-5'-DIPHOSPHATE
NACID - [nb=541] --> .....*TP*TP*AP*TP*AP*AP*G)-3')
ATP - [nb=443] --> ADENOSINE-5'-TRIPHOSPHATE
PLP - [nb=296] --> PYRIDOXAL-5'-PHOSPHATE
NAD - [nb=228] --> .....MIDE-ADENINE-DINUCLEOTIDE
ANP - [nb=218] --> .....ONIC ACID-ADENYLATE ESTER
GDP - [nb=185] --> GUANOSINE-5'-DIPHOSPHATE
GOL - [nb=161] --> GLYCEROL
AMP - [nb=146] --> ADENOSINE MONOPHOSPHATE
FMN - [nb=144] --> FLAVIN MONONUCLEOTIDE
ACP - [nb=119] --> .....ONIC ACID ADENYLATE ESTER
FAD - [nb=105] --> .....AVIN-ADENINE DINUCLEOTIDE
EDO - [nb=92] --> 1,2-ETHANEDIOL
AT4 - [nb=88] --> .....OOXY)PHOSPHORYL]ADENOSINE
AGS - [nb=81] --> .....ORIC ACID-ADENYLATE ESTER
CIT - [nb=79] --> CITRIC ACID
NAP - [nb=69] --> .....NE-DINUCLEOTIDE PHOSPHATE
PRP - [nb=58] --> .....IBOSYLPYROPHOSPHORIC ACID
SUGAR - [nb=56] --> SUGAR (4-MER)
GNP - [nb=55] --> .....ONIC ACID-GUANYLATE ESTER
ACY - [nb=52] --> ACETIC ACID
TRS - [nb=51] --> .....XYMETHYL-PROPANE-1,3-DIOL
DGL - [nb=43] --> D-GLUTAMIC ACID
IMP - [nb=42] --> INOSINIC ACID
AP5 - [nb=42] --> .....NOSINE)-5'-PENTAPHOSPHATE
NDP - [nb=40] --> .....NE-DINUCLEOTIDE PHOSPHATE
SKM - [nb=39] --> .....X-1-ENE-1-CARBOXYLIC ACID
FMT - [nb=38] --> FORMIC ACID
U5P - [nb=37] --> URIDINE-5'-MONOPHOSPHATE
COA - [nb=36] --> COENZYME A
5GP - [nb=36] --> .....UANOSINE-5'-MONOPHOSPHATE
GLC - [nb=32] --> ALPHA-D-GLUCOSE
3PG - [nb=32] --> 3-PHOSPHOGLYCERIC ACID
5RP - [nb=29] --> .....AR (RIBULOSE-5-PHOSPHATE)
IPA - [nb=28] --> ISOPROPYL ALCOHOL
ASP - [nb=27] --> ASPARTIC ACID
POP - [nb=27] --> PYROPHOSPHATE 2-
PEP - [nb=27] --> PHOSPHOENOLPYRUVATE
IPE - [nb=26] --> .....L TRIHYDROGEN DIPHOSPHATE
MPD - [nb=25] --> .....-2-METHYL-2,4-PENTANEDIOL
SAH - [nb=25] --> S-ADENOSYL-L-HOMOCYSTEINE
GTP - [nb=25] --> GUANOSINE-5'-TRIPHOSPHATE
ARG - [nb=24] --> ARGININE
PAL - [nb=24] --> .....ONACETYL)-L-ASPARTIC ACID
BGC - [nb=23] --> SUGAR (BETA-D-GLUCOSE)
128 - [nb=23] --> .....LENE-ADENINE-TRIPHOSPHATE
C5P - [nb=23] --> CYTIDINE-5'-MONOPHOSPHATE
UDP - [nb=22] --> URIDINE-5'-DIPHOSPHATE
NAI - [nb=22] --> .....MIDE ADENINE DINUCLEOTIDE
GLU - [nb=22] --> GLUTAMIC ACID
GCP - [nb=21] --> .....ONIC ACID GUANYLATE ESTER
PGA - [nb=21] --> ..... (2-PHOSPHOGLYCOLIC ACID)
ADE - [nb=21] --> ADENINE
THU - [nb=20] --> TETRAHYDRODEOXYURIDINE
IPM - [nb=19] --> 3-ISOPROPYLMALIC ACID
12D - [nb=19] --> .....(TRIHYDROGEN DIPHOSPHATE)
CP - [nb=19] --> .....ACID MONO(FORMAMIDE)ESTER
MTA - [nb=18] --> .....XY-5'-METHYLTHIOADENOSINE
TMP - [nb=18] --> THYMIDINE-5'-PHOSPHATE
IMD - [nb=18] --> IMIDAZOLE
UNL - [nb=18] --> UNKNOWN LIGAND
DTP - [nb=17] --> .....ADENOSINE 5'-TRIPHOSPHATE
PYR - [nb=17] --> PYRUVIC ACID
SFG - [nb=16] --> SINEFUNGIN
CYS - [nb=16] --> CYSTEINE
BG6 - [nb=16] --> .....ETA-D-GLUCOSE-6-PHOSPHATE
THM - [nb=16] --> THYMIDINE
TPP - [nb=16] --> THIAMINE DIPHOSPHATE
DND - [nb=15] --> .....ACID ADENINE DINUCLEOTIDE
UD1 - [nb=15] --> .....PHATE-N-ACETYLGLUCOSAMINE
TLA - [nb=14] --> L(+)-TARTARIC ACID
SUC - [nb=14] --> SUGAR (SUCROSE)
DMS - [nb=14] --> DIMETHYL SULFOXIDE
URA - [nb=14] --> URACIL
NOJ - [nb=14] --> 1-DEOXYNOJIRIMYCIN
2PG - [nb=14] --> 2-PHOSPHOGLYCERIC ACID
GDU - [nb=13] --> .....E-URIDINE-5'-DIPHOSPHATE)
TPT - [nb=13] --> 2,2'
PGH - [nb=13] --> .....PHOGLYCOLOHYDROXAMIC ACID
MRD - [nb=13] --> .....-2-METHYLPENTANE-2,4-DIOL
TYR - [nb=12] --> TYROSINE
EPE - [nb=12] --> .....AZINE ETHANESULFONIC ACID
TYD - [nb=12] --> THYMIDINE-5'-DIPHOSPHATE
G3P - [nb=11] --> SN-GLYCEROL-3-PHOSPHATE
GUD - [nb=11] --> .....URIDINE-C1,5'-DIPHOSPHATE
CTS - [nb=11] --> CASTANOSPERMINE
CRB - [nb=11] --> .....OHEXANE-1-CARBOXYLIC ACID
PHE - [nb=11] --> PHENYLALANINE
ADK - [nb=11] --> .....METHYL-3H-PURIN-6-YLAMINE
UPG - [nb=11] --> .....NE-5'-DIPHOSPHATE-GLUCOSE
CTP - [nb=11] --> CYTIDINE-5'-TRIPHOSPHATE
BB2 - [nb=11] --> ACTINONIN
ACO - [nb=11] --> ACETYL COENZYME *A
DAN - [nb=11] --> .....-N-ACETYL-NEURAMINIC ACID
ADN - [nb=11] --> ADENOSINE
APC - [nb=11] --> .....HONIC ACID ADENOSYL ESTER
DPO - [nb=11] --> DIPHOSPHATE
TRP - [nb=10] --> TRYPTOPHAN
TX4 - [nb=10] --> .....NOHYDROXAMATE 4-PHOSPHATE
BGP - [nb=10] --> .....ETA-GALACTOSE-6-PHOSPHATE
YSA - [nb=10] --> .....ROSYL)SULFAMOYL]ADENOSINE
MES - [nb=10] --> .....LINO)-ETHANESULFONIC ACID
TYU - [nb=10] --> TETRAHYDROURIDINE
PCT - [nb=10] --> PHOSPHONOACETAMIDE
13P - [nb=10] --> .....DIHYDROXYACETONEPHOSPHATE
DST - [nb=10] --> .....ALLYL S-THIOLODIPHOSPHATE
CTN - [nb=10] --> .....ANOSYL-2(1H)-PYRIMIDINONE
PRO - [nb=9] --> PROLINE
UTP - [nb=9] --> URIDINE 5'-TRIPHOSPHATE
6PG - [nb=9] --> 6-PHOSPHOGLUCONATE
MNT - [nb=9] --> .....-ADENOSINE-5'-DIPHOSPHATE
CDP - [nb=9] --> CYTIDINE-5'-DIPHOSPHATE
PHY - [nb=9] --> .....HOSPHORYL-PHOSPHINIC ACID
IMH - [nb=9] --> .....POXANTHIN-9-YL)-D-RIBITOL
PMM - [nb=9] --> .....6-YL-METHYL-MONOPHOSPHATE
1FZ - [nb=8] --> .....MINO}PHOSPHORYL]THYMIDINE
NTM - [nb=8] --> QUINOLINIC ACID
GLA - [nb=8] --> SUGAR (ALPHA D-GALACTOSE)
2PN - [nb=8] --> IMIDODIPHOSPHORIC ACID
APR - [nb=8] --> .....ENOSINE-5-DIPHOSPHORIBOSE
GLP - [nb=8] --> .....(GLUCOSAMINE 6-PHOSPHATE)
DHS - [nb=8] --> .....CYCLOHEX-1-ENECARBOXYLATE
SF4 - [nb=8] --> IRON/SULFUR CLUSTER
TPS - [nb=8] --> THIAMIN PHOSPHATE
FPP - [nb=8] --> FARNESYL DIPHOSPHATE
PMP - [nb=8] --> .....INOPYRIDOXAL-5'-PHOSPHATE
CIR - [nb=8] --> CITRULLINE
XHP - [nb=8] --> .....DIHYDROPTERIDIN-4(3H)-ONE
AN2 - [nb=8] --> AMP PHOSPHORAMIDATE
GLY - [nb=7] --> GLYCINE
TDP - [nb=7] --> THIAMIN DIPHOSPHATE
PQ0 - [nb=7] --> .....PYRIMIDINE-5-CARBONITRILE
SSA - [nb=7] --> .....ERYL)-SULFAMOYL)ADENOSINE
SAP - [nb=7] --> .....OSPHATE MONOTHIOPHOSPHATE
GLN - [nb=7] --> GLUTAMINE
PRF - [nb=7] --> .....AZA-7-AMINOMETHYL-GUANINE
DAL - [nb=7] --> D-ALANINE
HPA - [nb=7] --> HYPOXANTHINE
BCD - [nb=7] --> BETA-CYCLODEXTRIN
XMP - [nb=7] --> .....NTHOSINE-5'-MONOPHOSPHATE
FMC - [nb=7] --> FORMYCIN
0V5 - [nb=7] --> .....osphonooxy)propanoic acid
NOV - [nb=7] --> NOVOBIOCIN
EA4 - [nb=7] --> .....enzyl)carbamoyl]glycinate
LYS - [nb=7] --> LYSINE
PPV - [nb=7] --> PYROPHOSPHATE
RFW - [nb=7] --> .....D-GLUCOSAMINE-6-PHOSPHATE
PAH - [nb=7] --> .....PHONOACETOHYDROXAMIC ACID
8GT - [nb=7] --> .....GUANOSINE-5'-TRIPHOSPHATE
HIS - [nb=7] --> HISTIDINE
OXY - [nb=7] --> OXYGEN MOLECULE
HPD - [nb=6] --> .....TANE-3,4-DIOL-5-PHOSPHATE
TDI - [nb=6] --> .....YL)METHYL]PYRROLIDIN-3-OL
NCN - [nb=6] --> NICOTINATE MONONUCLEOTIDE
S3P - [nb=6] --> SHIKIMATE-3-PHOSPHATE
FM0 - [nb=6] --> .....PHORYL]OXY}PENTANOIC ACID
IFM - [nb=6] --> .....L-3,4-DIHYDROXYPIPERIDINE
G4P - [nb=6] --> .....SINE-5',3'-TETRAPHOSPHATE
Q21 - [nb=6] --> .....NZOXAZOL-5-YL]PROPANAMIDE
FMB - [nb=6] --> FORMYCIN B
FUC - [nb=6] --> SUGAR (ALPHA-L-FUCOSE)
PEG - [nb=6] --> DI(HYDROXYETHYL)ETHER
DIH - [nb=6] --> .....7-YLMETHYL)-PYRROLIDINIUM
ATM - [nb=6] --> .....HYMIDINE-5'-MONOPHOSPHATE
2P0 - [nb=6] --> .....RYL]OXY}ACETYL)-L-PROLINE
GUN - [nb=6] --> GUANINE
HMG - [nb=6] --> .....METHYLGLUTARYL-COENZYME A
OIN - [nb=6] --> .....YDROXY-2-PHENYLPROPANOATE
78H - [nb=6] --> 7,8-DIHYDROPTEROATE
AIR - [nb=6] --> .....OIMIDAZOLE RIBONUCLEOTIDE
CGB - [nb=6] --> CALYSTEGINE B2
DAU - [nb=6] --> .....DIPHOSPHO-ALPHA-D-GLUCOSE
TDM - [nb=6] --> .....L TRIHYDROGEN DIPHOSPHATE
HSE - [nb=6] --> L-HOMOSERINE
TRH - [nb=6] --> .....THYMIDINE-BETA-L-RHAMNOSE
AMO - [nb=6] --> .....DENOSINE-5'-MONOPHOSPHATE
3QF - [nb=6] --> .....INO)ETHYL]PHOSPHONIC ACID
C2R - [nb=6] --> .....IDAZOLE-4-CARBOXYLIC ACID
C6W - [nb=6] --> .....YL-1-PROPYLPHOSPHOCHOLINE
TZP - [nb=6] --> .....XYETHYLTHIAZOLE PHOSPHATE
NOY - [nb=6] --> .....YL)PIPERIDINE-2,3,4-TRIOL
SIA - [nb=6] --> SUGAR (O-SIALIC ACID)
GPP - [nb=6] --> GERANYL DIPHOSPHATE
OXZ - [nb=6] --> TETRAHYDROOXAZINE
8OP - [nb=6] --> .....THYL DIHYDROGEN PHOSPHATE
NAG - [nb=6] --> ..... (N-ACETYL-D-GLUCOSAMINE)
HMH - [nb=6] --> .....METHYL-2-METHYLPYRIMIDINE
8DG - [nb=6] --> .....GUANOSINE-5'-TRIPHOSPHATE
IFL - [nb=6] --> .....OXYMETHYL)PIPERIDIN-2-ONE
PCP - [nb=6] --> .....TANE-METHANOL-5-PHOSPHATE
39H - [nb=6] --> .....[B,D]FURAN-2-YL)ACETAMIDE
GSP - [nb=6] --> .....OSPHATE-MONOTHIOPHOSPHATE
0O2 - [nb=6] --> .....(TRIHYDROGEN DIPHOSPHATE)
LX1 - [nb=5] --> L-XYLULOSE 5-PHOSPHATE
UGA - [nb=5] --> .....PHOSPHATE-GLUCURONIC ACID
SKD - [nb=5] --> .....]OCTANE-5-CARBOXYLIC ACID
FOL - [nb=5] --> FOLIC ACID
COK - [nb=5] --> .....YL DIHYDROGEN DIPHOSPHATE
DCS - [nb=5] --> .....THYL]-N,O-CYCLOSERYLAMIDE
F6P - [nb=5] --> .....AR (FRUCTOSE-6-PHOSPHATE)
BA3 - [nb=5] --> .....DENOSINE)-5'-TRIPHOSPHATE
LRY - [nb=5] --> .....YLMANNOSAMINE-6-PHOSPHATE
ALA - [nb=5] --> ALANINE
9L9 - [nb=5] --> .....YLAMINO]PENTANEDIOIC ACID
F6F - [nb=5] --> .....THYL DIHYDROGEN PHOSPHATE
9DA - [nb=5] --> 9-DEAZAADENINE
NOS - [nb=5] --> INOSINE
A5A - [nb=5] --> .....ANYL)-SULFAMOYL)ADENOSINE
IN5 - [nb=5] --> .....O]-ETHYL}-PHOSPHONIC ACID
DGI - [nb=5] --> .....YGUANOSINE-5'-DIPHOSPHATE
DER - [nb=5] --> .....-4-PHOSPHOERYTHRONIC ACID
SIN - [nb=5] --> SUCCINIC ACID
QIC - [nb=5] --> .....YCLOHEXANECARBOXYLIC ACID
LAQ - [nb=5] --> .....ROXY)PHOSPHORYL]ADENOSINE
TTP - [nb=5] --> THYMIDINE-5'-TRIPHOSPHATE
DDN - [nb=5] --> .....YURIDINE-5'-MONOPHOSPHATE
DP6 - [nb=5] --> .....Y}-3-METHYLPENTANOIC ACID
AGP - [nb=5] --> .....MINO GLUCITOL-6-PHOSPHATE
NCA - [nb=5] --> NICOTINAMIDE
A3P - [nb=5] --> .....ENOSINE-3'-5'-DIPHOSPHATE
PGO - [nb=5] --> S-1,2-PROPANEDIOL
LMT - [nb=5] --> DODECYL-BETA-D-MALTOSIDE
ATF - [nb=5] --> .....ONIC ACID-ADENYLATE ESTER
PIN - [nb=5] --> .....IS(2-ETHANESULFONIC ACID)
C - [nb=5] --> CYTIDINE-5'-MONOPHOSPHATE
MTM - [nb=5] --> .....THYL]PYRROLIDINE-3,4-DIOL
5AD - [nb=5] --> 5'-DEOXYADENOSINE
SRT - [nb=5] --> S,R MESO-TARTARIC ACID
8OD - [nb=5] --> .....SPHONO HYDROGEN PHOSPHATE
HKX - [nb=5] --> .....-METHYLBENZENESULFONAMIDE
NHE - [nb=5] --> .....MINO]ETHANE SULFONIC ACID
FRU - [nb=5] --> SUGAR (FRUCTOSE)
RES - [nb=5] --> .....-ERYTHRONOHYDROXAMIC ACID
PPJ - [nb=5] --> .....DIN-4-YL}METHYL)NORVALINE
C2F - [nb=5] --> .....,7,8-TETRAHYDROFOLIC ACID
GAL - [nb=5] --> SUGAR (BETA-D-GALACTOSE)
BMQ - [nb=5] --> .....FURANOSYL)BARBITURIC ACID
2EY - [nb=4] --> .....ETHOXY}QUINOLIN-2(1H)-ONE
FKH - [nb=4] --> .....-METHYLBENZENESULFONAMIDE
DH5 - [nb=4] --> .....-METHYLBENZENESULFONAMIDE
ZTP - [nb=4] --> .....L TRIHYDROGEN DIPHOSPHATE
3QG - [nb=4] --> .....INO)ETHYL]PHOSPHONIC ACID
HH2 - [nb=4] --> .....YMETHYLPTERIN-DIPHOSPHATE
LD6 - [nb=4] --> .....-methylbenzenesulfonamide
B55 - [nb=4] --> .....,9-DIHYDRO-6H-PURIN-6-ONE
EOV - [nb=4] --> .....7,20,23,26,29,32-UNDECONE
BBE - [nb=4] --> .....IMETHYLBENZENESULFONAMIDE
CDC - [nb=4] --> .....-ETHYL-TRIMETHYL-AMMONIUM
GIM - [nb=4] --> GLUCOIMIDAZOLE
MAN - [nb=4] --> ALPHA-D-MANNOSE
OXM - [nb=4] --> OXAMIC ACID
B82 - [nb=4] --> .....RBONYL}AMINO)BENZOIC ACID
A2P - [nb=4] --> .....ENOSINE-2'-5'-DIPHOSPHATE
TDX - [nb=4] --> .....'-DIPHOSPHO-BETA-D-XYLOSE
DG2 - [nb=4] --> .....,3-DIPHOSPHOGLYCERIC ACID
HIO - [nb=4] --> .....XY-N-ISOPROPYLOXAMIC ACID
P5A - [nb=4] --> .....OLYL)-SULFAMOYL)ADENOSINE
G6P - [nb=4] --> .....HA-D-GLUCOSE-6-PHOSPHATE)
EPU - [nb=4] --> .....LUCOSAMINYL) BUTYRIC ACID
URI - [nb=4] --> URIDINE
BMG - [nb=4] --> .....-1H-PYRROLE-2-CARBOXYLATE
IFP - [nb=4] --> .....-PYRIMIDIN-4-YLIDENEAMINE
5AQ - [nb=4] --> .....]ethyl}sulfanyl)adenosine
OSA - [nb=4] --> .....PHTHALENE-2-SULFONIC ACID
TSB - [nb=4] --> .....ONYL)-SULFAMOYL)ADENOSINE
TCB - [nb=4] --> SUGAR (THIOCELLOBIOSE)
KPR - [nb=4] --> .....nyl] dihydrogen phosphate
7HG - [nb=4] --> .....15-diene-2,5,8,20-tetrone
GBN - [nb=4] --> .....YL)CYCLOHEXYL]ACETIC ACID
G39 - [nb=4] --> .....X-1-ENE-1-CARBOXYLIC ACID
5AJ - [nb=4] --> .....lfanyl]-5'-deoxyadenosine
SER - [nb=4] --> SERINE
YLL - [nb=4] --> .....LOHEXANE-1,2,3,4,5-PENTOL
XAM - [nb=4] --> .....ETA-D-RIBO-HEXOPYRANOSIDE
5A8 - [nb=4] --> .....oethyl)sulfanyl]adenosine
JWT - [nb=4] --> .....-METHYLBENZENESULFONAMIDE
BIG - [nb=4] --> .....YL)METHYL]PYRROLIDIN-3-OL
5AG - [nb=4] --> .....oethyl)sulfanyl]adenosine
2FD - [nb=4] --> .....HYL-TETRAHYDRO-FURAN-3-OL
MTT - [nb=4] --> MALTOTETRAOSE
IGP - [nb=4] --> .....DOLE-3-GLYCEROL PHOSPHATE
GD1 - [nb=4] --> .....OLO[2,3-D]PYRIMIDIN-4-ONE
DAT - [nb=4] --> .....YADENOSINE-5'-DIPHOSPHATE
HSX - [nb=4] --> .....hono-alpha-D-ribofuranose
7HP - [nb=4] --> .....PYRAZOLO[4,3-D]PYRIMIDINE
PHT - [nb=4] --> PHTHALIC ACID
PSQ - [nb=4] --> .....NOPHOSPHINYL)-L-ORNITHINE
P3I - [nb=4] --> .....-METHYLBENZENESULFONAMIDE
5AK - [nb=4] --> .....oethyl)sulfanyl]adenosine
9D9 - [nb=4] --> .....OROPENTYL)PHOSPHONIC ACID
MAL - [nb=4] --> SUGAR (MALTOSE)
NCD - [nb=4] --> N-CARBAMOYL-L-ASPARTATE
3DS - [nb=4] --> .....X-1-ENE-1-CARBOXYLIC ACID
45T - [nb=4] --> .....IYL)}BIS(PHOSPHONIC ACID)
0DN - [nb=4] --> .....-DEOXY-5'-FLUOROTHYMIDINE
K8P - [nb=4] --> .....pyl] dihydrogen phosphate
3QA - [nb=4] --> .....nyl}ethyl)pyrrolidin-3-ol
1FT - [nb=4] --> .....THIO-BETA-D-GLUCOPYRANOSE
G5A - [nb=4] --> .....GLYCYLSULFAMOYL)ADENOSINE
CDF - [nb=4] --> .....NOSYL}PYRIMIDIN-2(1H)-ONE
ABM - [nb=4] --> .....ONIC ACID ADENOSINE ESTER
R5P - [nb=4] --> .....UGAR (RIBOSE-5-PHOSPHATE)
TEB - [nb=4] --> .....PYRROLE-2-CARBOXYLIC ACID
0KX - [nb=4] --> .....AMINO}PHOSPHORYL]CYTIDINE
NXX - [nb=4] --> .....2-YL]-3-CARBOXYPYRIDINIUM
AZF - [nb=4] --> AZAFAGOMINE
8P2 - [nb=4] --> .....tan-2-yl]methanediazonium
DCP - [nb=4] --> .....YCYTIDINE-5'-TRIPHOSPHATE
137 - [nb=4] --> .....XY-D-RIBULOSE-5-PHOSPHATE
FPS - [nb=4] --> .....IHYDROGEN THIODIPHOSPHATE
KDT - [nb=4] --> .....-METHYLBENZENESULFONAMIDE
KKT - [nb=4] --> .....ETHYLBUTANE-1-SULFONAMIDE
7I6 - [nb=4] --> .....-YL}-1-OXOBUTAN-2-YL]UREA
IM5 - [nb=3] --> .....OLO[3,2-D]PYRIMIDIN-4-ONE
PLS - [nb=3] --> .....YRIDIN-4-YLMETHYL]-SERINE
L34 - [nb=3] --> .....NYLCARBONYL-GLUTAMIC ACID
NE8 - [nb=3] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
BE2 - [nb=3] --> 2-AMINOBENZOIC ACID
OAN - [nb=3] --> .....) AMINO-N-PHENYLCARBAMATE
LEU - [nb=3] --> LEUCINE
LG6 - [nb=3] --> .....ULURONIC ACID 6-PHOSPHATE
FGA - [nb=3] --> GAMMA-D-GLUTAMIC ACID
URF - [nb=3] --> 5-FLUOROURACIL
3UC - [nb=3] --> .....HATE (NON-PREFERRED NAME)
BEN - [nb=3] --> BENZAMIDINE
2ZW - [nb=3] --> .....1,2-OXAZOLE-4-CARBOXAMIDE
TZE - [nb=3] --> .....HYL-THIAZOL-5-YL)-ETHANOL
MAP - [nb=3] --> .....DENYLY-IMIDO-TRIPHOSPHATE
UAH - [nb=3] --> .....thyl dihydrogen phosphate
NSS - [nb=3] --> .....GINYL)SULFAMOYL]ADENOSINE
CO2 - [nb=3] --> CARBON DIOXIDE
DZ4 - [nb=3] --> .....MINO}PHOSPHORYL]ADENOSINE
SHL - [nb=3] --> .....H-PYRAN-2-CARBOXYLIC ACID
CAA - [nb=3] --> ACETOACETYL-COENZYME A
PH2 - [nb=3] --> .....DIHYDRO-3H-PTERIDIN-4-ONE
B29 - [nb=3] --> .....NO-ETHYL]-PHOSPHONIC ACID
MEV - [nb=3] --> (R)-MEVALONATE
CC5 - [nb=3] --> .....RYTHROFURANOSYL-ADENOSINE
U - [nb=3] --> URIDINE-5'-MONOPHOSPHATE
A12 - [nb=3] --> .....HONIC ACID ADENOSYL ESTER
5A9 - [nb=3] --> .....lfanyl]-5'-deoxyadenosine
CKR - [nb=3] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
KIV - [nb=3] --> .....METHYL-2-OXOBUTANOIC ACID
B4P - [nb=3] --> .....NOSINE)-5'-TETRAPHOSPHATE
PPK - [nb=3] --> .....HONO)AMINOPHOSPHONIC ACID
HTL - [nb=3] --> .....ETYL-THIAMINE DIPHOSPHATE
LGP - [nb=3] --> .....-GUANINE-3'-MONOPHOSPHATE
40K - [nb=3] --> .....iadiazin-7-yl]acetic acid
6GB - [nb=3] --> .....SYL)-BETA-D-GLUCOPYRANOSE
ZVZ - [nb=3] --> .....HENOXY]-N-METHYLACETAMIDE
2WU - [nb=3] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
M2A - [nb=3] --> .....] 2-(methylamino)benzoate
RPL - [nb=3] --> .....HYDANTOCIDIN 5'-PHOSPHATE
PLG - [nb=3] --> .....HYL-PYRIDIN-4-YL-METHANE]
GG9 - [nb=3] --> .....X-1-ENE-1-CARBOXYLIC ACID
EOH - [nb=3] --> ETHANOL
DOR - [nb=3] --> .....IMIDINE-4-CARBOXYLIC ACID
PDD - [nb=3] --> .....OSPHOPYRIDOXYL)-D-ALANINE
LMS - [nb=3] --> .....-FURANYL]METHYL SULFAMATE
PUS - [nb=3] --> .....-YL}METHYLIDENE)-L-SERINE
HEM - [nb=3] --> .....ORPHYRIN IX CONTAINING FE
UDZ - [nb=3] --> .....IMINO-AZANYLIDENE-AZANIUM
P1T - [nb=3] --> .....METHYL)AMINO]ACRYLIC ACID
K2Q - [nb=3] --> .....7-DIENE-8-CARBOXYLIC ACID
8OX - [nb=3] --> .....OLAN-2-YL]-7H-PURIN-8-ONE
E89 - [nb=3] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
G2P - [nb=3] --> .....ONIC ACID GUANYLATE ESTER
PLR - [nb=3] --> .....THYL DIHYDROGEN PHOSPHATE
FDA - [nb=3] --> .....VINE-ADENINE DINUCLEOTIDE
LA8 - [nb=3] --> .....-ADENOSINE-5'-DIPHOSPHATE
F6R - [nb=3] --> FRUCTOSE -6-PHOSPHATE
DIO - [nb=3] --> 1,4-DIETHYLENE DIOXIDE
DMJ - [nb=3] --> 1-DEOXYMANNOJIRIMYCIN
PIS - [nb=3] --> .....IHYDROGEN THIODIPHOSPHATE
G6Q - [nb=3] --> .....GAR (GLUCOSE-6-PHOSPHATE)
DFU - [nb=3] --> .....HYLPIPERIDINE-3,4,5-TRIOL
KRS - [nb=3] --> cladosporin
4CT - [nb=3] --> .....YL]METHYL}PYRROLIDIN-3-OL
6QD - [nb=3] --> .....-yl)pentylphosphonic acid
TYA - [nb=3] --> .....ESTER ADENOSIN-5'YL ESTER
DHK - [nb=3] --> 3-DEHYDROSHIKIMATE
TAR - [nb=3] --> D(-)-TARTARIC ACID
FNR - [nb=3] --> .....5-O-PHOSPHONATO-D-RIBITOL
AIQ - [nb=3] --> .....HYL)-3H-QUINAZOLINE-4-ONE
DTA - [nb=3] --> .....TETRAHYDROFURAN-3,4-DIOL]
PT1 - [nb=3] --> PTEROIC ACID
LAD - [nb=3] --> .....SINE-5'-[LYSYL-PHOSPHATE]
BEZ - [nb=3] --> BENZOIC ACID
DOC - [nb=3] --> .....CYTIDINE-5'-MONOPHOSPHATE
DA - [nb=3] --> .....DENOSINE-5'-MONOPHOSPHATE
TG6 - [nb=3] --> 6-O-PHOSPHONO-D-TAGATOSE
0XT - [nb=3] --> .....THYLPTERIDINE-2,4-DIAMINE
ADJ - [nb=3] --> .....DE-ADENYLATE INTERMEDIATE
BRD - [nb=3] --> .....FURANOSYL-1,3-DIAZEPINONE
942 - [nb=3] --> .....-5-YL]-N-METHYL-BENZAMIDE
PTY - [nb=3] --> PHOSPHATIDYLETHANOLAMINE
5SP - [nb=3] --> .....5-O-PHOSPHONO-D-XYLULOSE)
4VN - [nb=3] --> .....eridine-4-carboxylic acid
3UA - [nb=3] --> .....HATE (NON-PREFERRED NAME)
7TS - [nb=3] --> .....thyl dihydrogen phosphate
6L0 - [nb=3] --> .....ne-2,5,13,16,24,27-hexone
YYY - [nb=3] --> DEOXYCYTIDINE DIPHOSPHATE
G2F - [nb=3] --> .....RO-ALPHA-D-GLUCOPYRANOSE)
GMP - [nb=3] --> GUANOSINE
5BV - [nb=3] --> .....xy)-2-methylnonanoic acid
21W - [nb=3] --> .....]PYRIMIDINE-5-CARBOXAMIDE
6F0 - [nb=2] --> .....-6-fluoranyl-benzoic acid
PP9 - [nb=2] --> PROTOPORPHYRIN IX
HE1 - [nb=2] --> .....-1-BUTENYLPHOSPHONIC ACID
CRM - [nb=2] --> .....RIDIN-6-YL]PROPANOIC ACID
LBT - [nb=2] --> SUGAR (ALPHA-LACTOSE)
FA0 - [nb=2] --> .....MINO-4-FLUOROBENZOIC ACID
FCN - [nb=2] --> FOSFOMYCIN
DG - [nb=2] --> .....UANOSINE-5'-MONOPHOSPHATE
PT3 - [nb=2] --> N-PROPYL-TARTRAMIC ACID
GPJ - [nb=2] --> GLYPHOSATE
ZVU - [nb=2] --> .....TRIFLUOROMETHYL)BENZAMIDE
MT2 - [nb=2] --> .....YL](ETHYL)METHYLSULFONIUM
4LB - [nb=2] --> .....yclohexanecarboxylic acid
2FA - [nb=2] --> .....TETRAHYDRO-FURAN-3,4-DIOL
T05 - [nb=2] --> .....ETHYLPHENOXY)BENZOIC ACID
FYA - [nb=2] --> .....PHENYLALANINOL-PHOSPHATE]
2CR - [nb=2] --> .....clopentanecarboxylic acid
46L - [nb=2] --> .....yridine-3-carboxylic acid
PY6 - [nb=2] --> .....OXYL]-AMINO-HEXANOIC ACID
2BA - [nb=2] --> .....AHYDRO-2H,7H-DIFURO[3,2-D
4ZP - [nb=2] --> .....enzyl]carbamoyl}glycinate
21X - [nb=2] --> .....]PYRIMIDINE-5-CARBOXAMIDE
BTN - [nb=2] --> BIOTIN
JZL - [nb=2] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
TOP - [nb=2] --> TRIMETHOPRIM
502 - [nb=2] --> .....ethyl]carbamoyl}glycinate
ZAS - [nb=2] --> .....'-AZIDO-5'-DEOXYADENOSINE
GSY - [nb=2] --> .....YETHYL)-8-MERCAPTOGUANINE
ARE - [nb=2] --> ..... DERIVED PENTASACCHARIDE)
5RY - [nb=2] --> .....ranyl-benzenecarbonitrile
DZ9 - [nb=2] --> .....-B]PYRIDINE-2-CARBOXAMIDE
BM3 - [nb=2] --> .....OXY-ALPHA-D-MANNOPYRANOSE
B08 - [nb=2] --> .....YL-ETHYL)-PHOSPHONIC ACID
FQP - [nb=2] --> .....LPYRIMIDINE PYROPHOSPHATE
1P3 - [nb=2] --> .....ACETYL-3-METHYLPIPERIDINE
TBR - [nb=2] --> .....EXATANTALUM DODECABROMIDE
TDL - [nb=2] --> .....-METHYL-1,3-THIAZOL-3-IUM
RDS - [nb=2] --> .....ulfanyl]-4-pyrimidinamine
129 - [nb=2] --> .....O)-ETHYL]-PHOSPHONIC ACID
ZVY - [nb=2] --> .....ETHYL]PHENOXY]ACETIC ACID
ENO - [nb=2] --> .....DROXY-PHENYL)PYRUVIC ACID
5CA - [nb=2] --> .....INYL)-SULFAMOYL)ADENOSINE
9DR - [nb=2] --> .....YL}PYRIMIDINE-2,4-DIAMINE
KS3 - [nb=2] --> .....ol-5-yl)oxane-3,4,5-triol
XG4 - [nb=2] --> .....MINO}PHOSPHORYL]GUANOSINE
SH6 - [nb=2] --> 8-bromooctanoic acid
1B3 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
ZVW - [nb=2] --> .....TRIFLUOROMETHYL)BENZAMIDE
BET - [nb=2] --> TRIMETHYL GLYCINE
DHI - [nb=2] --> D-HISTIDINE
1UD - [nb=2] --> .....eta-D-ribo-hexofuranoside
BDZ - [nb=2] --> .....HA-L-GALACTOPYRANOSYL-(1-
ZVT - [nb=2] --> .....AZOL-3-YL)ETHYL]BENZAMIDE
ORO - [nb=2] --> OROTIC ACID
PLV - [nb=2] --> .....METHYL)-O-METHYL-L-SERINE
67Y - [nb=2] --> .....naphthalen-1-yl]acetamide
TLM - [nb=2] --> THIOLACTOMYCIN
ROI - [nb=2] --> .....-DIMETHYL-6-HYDROXYPTERIN
2BO - [nb=2] --> .....-4-yl}methyl)-L-threonine
DSL - [nb=2] --> .....-CIS DECAPRENYL-PHOSPHATE
7B7 - [nb=2] --> .....DIN-1-YL]-2-OXOETHYL}UREA
3QE - [nb=2] --> .....IYL)}BIS(PHOSPHONIC ACID)
BT5 - [nb=2] --> BIOTINYL-5-AMP
RC1 - [nb=2] --> .....OHEXENE-1-CARBOXYLIC ACID
0DF - [nb=2] --> .....IDAZO[4,5-B]PYRIDIN-2-ONE
VGA - [nb=2] --> .....AZEPIN-2-YL]AZETIDIN-3-OL
MLC - [nb=2] --> MALONYL-COENZYME A
5LC - [nb=2] --> .....s(2,3-dihydroxybenzamide)
MLR - [nb=2] --> MALTOTRIOSE
3PO - [nb=2] --> TRIPHOSPHATE
7MN - [nb=2] --> .....1H)-YLIDENE}METHANAMINIUM
4EZ - [nb=2] --> .....hyl](hexyl)amino}methanol
CDS - [nb=2] --> .....HIAZINE-4-CARBOXYLIC ACID
5NB - [nb=2] --> .....8-BROMO-5'-DEOXYADENOSINE
N22 - [nb=2] --> .....HYLPYRIMIDINE-2,4-DIAMINE
FA5 - [nb=2] --> .....PHENYLALANINYL-PHOSPHATE]
PK2 - [nb=2] --> .....zo[4,5-g]quinazolin-8-one
PF1 - [nb=2] --> .....(2-HYDROXYETHYL)FORMAMIDE
32C - [nb=2] --> .....N-1-YL]BUTYL}BENZOIC ACID
INS - [nb=2] --> .....6-HEXAHYDROXY-CYCLOHEXANE
60G - [nb=2] --> .....lsulfamoylmethyl]benzoate
CIE - [nb=2] --> .....]BENZOIC ACID ETHYL ESTER
5LL - [nb=2] --> .....,3-diazinane-2,4,6-trione
ABF - [nb=2] --> .....INOFURANOSE-5'-PHOSPHATE)
39S - [nb=2] --> .....-GLUTAMYL-L-GLUTAMIC ACID
TD4 - [nb=2] --> .....UTYL DIHYDROGEN PHOSPHATE
2SA - [nb=2] --> .....-6-YLAMINO]-SUCCINIC ACID
6UA - [nb=2] --> .....rimidine-2,4(3H,5H)-dione
4ZT - [nb=2] --> .....carbamoyl]-L-methioninate
WM3 - [nb=2] --> BENZENESULFONOHYDRAZIDE
ILE - [nb=2] --> ISOLEUCINE
40B - [nb=2] --> [HYDROXY(1,1'
ISL - [nb=2] --> .....LUCOPYRANOSYL-D-FRUCTOSE)
NSG - [nb=2] --> .....-D][1,3]THIAZOLE-6,7-DIOL
7DD - [nb=2] --> .....aadenosine-5'-diphosphate
0NP - [nb=2] --> .....,2-DIEN-2-IUM-1-YLURIDINE
WM4 - [nb=2] --> BENZOHYDRAZIDE
6RH - [nb=2] --> .....9-yl)butylphosphonic acid
3L5 - [nb=2] --> .....ino}ethyl)phosphonic acid
5MZ - [nb=2] --> .....,4-OXADIAZOL-3-YL]ANILINE
FGR - [nb=2] --> .....BETA-D-RIBOFURANOSYLAMINE
ZVV - [nb=2] --> .....TRIFLUOROMETHYL)BENZAMIDE
4ZZ - [nb=2] --> .....enzyl]carbamoyl}glycinate
3SY - [nb=2] --> .....XYMETHYL)PROPANE-1,3-DIOL
1TB - [nb=2] --> .....RBAMOYLSULFAMOYL]BENZOATE
VIB - [nb=2] --> .....L)-4-METHYL-THIAZOL-3-IUM
NGT - [nb=2] --> .....O[3,2-D]THIAZOLE-6,7-DIOL
3L7 - [nb=2] --> .....ino}ethyl)phosphonic acid
UFP - [nb=2] --> .....YURIDINE-5'-MONOPHOSPHATE
LNC - [nb=2] --> .....MIDE-ADENINE-DINUCLEOTIDE
G1P - [nb=2] --> .....HA-D-GLUCOSE-1-PHOSPHATE)
1X7 - [nb=2] --> .....-C]PYRIDINE-7-CARBOXAMIDE
BS4 - [nb=2] --> .....PHENYL)SULFONYL]BENZAMIDE
6WA - [nb=2] --> .....ino]propylphosphonic acid
TUI - [nb=2] --> .....-4-YL)PHENOXY)ACETIC ACID
LSA - [nb=2] --> .....ZOL-3(2H)-ONE 1,1-DIOXIDE
T3P - [nb=2] --> THYMIDINE-3'-PHOSPHATE
680 - [nb=2] --> .....LAMINO-5-NITROISOCYTOSINE
3II - [nb=2] --> .....RO[4.5]DEC-3-YL}ACETAMIDE
25A - [nb=2] --> .....ONOPHOSPHORYLADENYLYL(2'-
DHB - [nb=2] --> 3,4-DIHYDROXYBENZOIC ACID
DLY - [nb=2] --> D-LYSINE
1IP - [nb=2] --> .....PHONOACETYL)-L-ASPARAGINE
6BM - [nb=2] --> .....idin-3-yl]phosphonic acid
MLA - [nb=2] --> MALONIC ACID
AG3 - [nb=2] --> .....PYL)AMINO]BUTYL}GUANIDINE
6WB - [nb=2] --> .....mino]ethylphosphonic acid
MCF - [nb=2] --> .....[4,5-D][1,3]DIAZEPIN-8-OL
FON - [nb=2] --> FOLINIC ACID
EKB - [nb=2] --> .....YL]PYRIMIDINE-2,4-DIAMINE
6WC - [nb=2] --> .....oxy]methylphosphonic acid
6PR - [nb=2] --> .....NOACETAMIDO)BUTANOIC ACID
LXP - [nb=2] --> L-XYLITOL 5-PHOSPHATE
5WA - [nb=2] --> .....HOXYPHENYL)PROP-2-YN-1-OL
3FL - [nb=2] --> .....AMINO]METHYL}BENZOIC ACID
6Z5 - [nb=2] --> .....olo[2,3-d]pyrimidin-6-one
LPA - [nb=2] --> LIPOIC ACID
OTN - [nb=2] --> .....ulfanyl-oxane-3,4,5-triol
ALO - [nb=2] --> ALLO-THREONINE
DT - [nb=2] --> .....HYMIDINE-5'-MONOPHOSPHATE
THH - [nb=2] --> .....)BENZOYL]-L-GLUTAMIC ACID
SPD - [nb=2] --> SPERMIDINE
G5P - [nb=2] --> .....-GUANOSYL) PENTAPHOSPHATE
2KT - [nb=2] --> 2-KETOBUTYRIC ACID
PAO - [nb=2] --> .....SPHONOACETYL)-L-ORNITHINE
B28 - [nb=2] --> .....YL-ETHYL)-PHOSPHONIC ACID
NNR - [nb=2] --> NICOTINAMIDE RIBOSIDE
BRR - [nb=2] --> .....MINO]METHYL}HEXANOIC ACID
40E - [nb=2] --> .....pan-2-ylamino)acetic acid
JJZ - [nb=2] --> .....ROPHENYL)-4-OXOBUTANAMIDE
GST - [nb=2] --> .....RANYL S-THIOLODIPHOSPHATE
6W9 - [nb=2] --> .....mino]ethylphosphonic acid
838 - [nb=2] --> .....traene-4,10,13,16-tetrone
5RW - [nb=2] --> .....l]-1,7-dihydropurin-6-one
DGT - [nb=2] --> .....GUANOSINE-5'-TRIPHOSPHATE
L97 - [nb=2] --> .....-chloranylpyridin-3-amine
HCS - [nb=2] --> .....O-4-MERCAPTO-BUTYRIC ACID
BOG - [nb=2] --> SUGAR (B-OCTYLGLUCOSIDE)
3FI - [nb=2] --> .....IMINO]METHYL}BENZOIC ACID
XYA - [nb=2] --> .....TETRAHYDRO-FURAN-3,4-DIOL
5NU - [nb=2] --> 5-nitrouracil
4AD - [nb=2] --> .....DENOSINE-5'-MONOPHOSPHATE
E1P - [nb=2] --> .....XO(PIPERIDIN-1-YL)ACETATE
PA9 - [nb=2] --> .....SPHONOACETYL)-L-ORNITHINE
FTP - [nb=2] --> .....OOXY-ETHYL)-THIAZOL-3-IUM
DUD - [nb=2] --> .....OXYURIDINE-5'-DIPHOSPHATE
IPL - [nb=2] --> .....DOLE-3-PROPANOL PHOSPHATE
4VM - [nb=2] --> .....)piperidine-4-carboxamide
FCE - [nb=2] --> FERRICHROME
2YY - [nb=2] --> .....)AMINO]ETHYL}BENZOIC ACID
ZVX - [nb=2] --> .....AZOL-3-YL)ETHYL]BENZAMIDE
GTL - [nb=2] --> .....OXYMETHYL)-2-PIPERIDINONE
GSU - [nb=2] --> .....AMYL-SULFAMOYL)-ADENOSINE
173 - [nb=2] --> BENZOYL-FORMIC ACID
409 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
PUW - [nb=2] --> .....OSPHONOACETYL)-PUTRESCINE
NAJ - [nb=2] --> .....INUCLEOTIDE (ACIDIC FORM)
THG - [nb=2] --> .....-5,6,7,8-TETRAHYDROFOLATE
UNU - [nb=2] --> BENZAMIDE
TZN - [nb=2] --> .....HYDROFURAN-2-YL]METHANONE
TDK - [nb=2] --> .....-METHYL-1,3-THIAZOL-3-IUM
13Y - [nb=2] --> .....N-1-YL]BUTYL}BENZOIC ACID
51N - [nb=2] --> .....hono-alpha-D-ribofuranose
RDF - [nb=2] --> .....YL)-L-LEUCYL-L-TRYPTOPHAN
MTH - [nb=2] --> .....TETRAHYDRO-FURAN-3,4-DIOL
CMU - [nb=2] --> .....ROLIDINYL) METHYL) URACIL
0K3 - [nb=2] --> .....1-YL DIHYDROGEN PHOSPHATE
H53 - [nb=2] --> .....YMETHYL)OXANE-3,4,5-TRIOL
SH5 - [nb=2] --> .....roxy)phosphoryl]adenosine
5RX - [nb=2] --> .....l]-1,9-dihydropurin-6-one
QEI - [nb=2] --> .....OLO[2,3-D]PYRIMIDIN-4-ONE
0J2 - [nb=2] --> .....IDAZIN-3-YL)BUTANOIC ACID
32E - [nb=2] --> .....N-1-YL]BUTYL}BENZOIC ACID
TBN - [nb=2] --> .....TETRAHYDRO-FURAN-3,4-DIOL
0JO - [nb=2] --> .....E]AMINO}PROP-2-ENOIC ACID
IUR - [nb=2] --> 5-IODOURACIL
31Z - [nb=2] --> .....-1-YL]METHYL}BENZOIC ACID
GCG - [nb=2] --> .....EINYL-GLYCINYL)SPERMIDINE
7DT - [nb=2] --> .....adenosine-5'-triphosphate
HCI - [nb=2] --> HYDROCINNAMIC ACID
MTX - [nb=2] --> METHOTREXATE
JKK - [nb=2] --> .....amino]ethanesulfonic acid
SR1 - [nb=2] --> .....THIO-ALPHA-D-RIBOFURANOSE
BES - [nb=2] --> .....)-4-METHYL-PENTANOIC ACID
1SM - [nb=2] --> .....L}AMINO)SULFONYL]BENZOATE
5FD - [nb=2] --> .....-FLUORO-5'-DEOXYADENOSINE
LCS - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
DOI - [nb=2] --> .....-(PHOSPHONOOXY)-9H-PURINE
43N - [nb=2] --> .....henyl)methyl]benzoic acid
2WP - [nb=2] --> .....YL}SULFANYL)BUTANOIC ACID
24R - [nb=2] --> .....l]thiophene-2-carboxamide
EHS - [nb=2] --> .....PANOYL]OXY-PROPANOIC ACID
78E - [nb=2] --> .....15-diene-2,5,8,20-tetrone
IVH - [nb=2] --> .....-(BUTYLSULFANYL)ADENOSINE
ATS - [nb=2] --> .....EADENOSINE-5'-DIPHOSPHATE
200 - [nb=2] --> 4-CHLORO-L-PHENYLALANINE
Z8B - [nb=2] --> .....8-BROMO-5'-DEOXYADENOSINE
6UD - [nb=2] --> .....}-pyran-6-carboxylic acid
CPR - [nb=2] --> .....IBOSIDE, 5'-MONOPHOSPHATE
5RG - [nb=2] --> .....mino-5-fluorobenzoic acid
H01 - [nb=2] --> .....IN IX 2,4-DISULFONIC ACID
SFA - [nb=2] --> SANGLIFEHRIN A
938 - [nb=2] --> .....hloranylpyrimidin-5-amine
PH4 - [nb=2] --> .....OPYL DIHYDROGEN PHOSPHATE
32K - [nb=2] --> .....-1-YL]METHYL}BENZOIC ACID
5WB - [nb=2] --> .....HYLPYRIMIDINE-2,4-DIAMINE
CZA - [nb=2] --> .....XAHYDRO-11H-PYRROLO[1',2'
DAH - [nb=2] --> .....,4-DIHYDROXYPHENYLALANINE
IPR - [nb=2] --> ISOPENTYL PYROPHOSPHATE
TLE - [nb=2] --> .....N-1-YL]THIOPHEN-2(5H)-ONE
4NG - [nb=2] --> .....idin-3-yl]phosphonic acid
AC2 - [nb=2] --> .....HYROXYETHOXYMETHYLGUANINE
B3P - [nb=2] --> .....XYMETHYL-PROPANE-1,3-DIOL
0XS - [nb=2] --> .....PHTHYRIDINE-3-CARBOXAMIDE
P6G - [nb=2] --> HEXAETHYLENE GLYCOL
3OH - [nb=2] --> 3-HYDROXY-PROPANOIC ACID
AR6 - [nb=2] --> .....HORYL] HYDROGEN PHOSPHATE
UMP - [nb=2] --> .....YURIDINE 5'-MONOPHOSPHATE
UMA - [nb=2] --> .....-ACETYLMURAMOYL-L-ALANINE
GNH - [nb=2] --> .....ONIC ACID-GUANYLATE ESTER
BIS - [nb=2] --> .....ONIC ACID ADENYLATE ESTER
B57 - [nb=2] --> .....-NITROPYRIMIDIN-4(3H)-ONE
L23 - [nb=2] --> .....OL-4-YL]PYRIMIDIN-2-AMINE
DQA - [nb=2] --> .....YCLOHEXANECARBOXYLIC ACID
LZK - [nb=2] --> .....-D]PYRIMIDINE-2,7-DIAMINE
F19 - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
A5P - [nb=2] --> ARABINOSE-5-PHOSPHATE
2AM - [nb=2] --> .....DENOSINE-2'-MONOPHOSPHATE
X16 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
DF9 - [nb=2] --> .....YL)METHYL]PYRROLIDIN-3-OL
TLJ - [nb=2] --> .....-PROPYLTHIOPHEN-2(5H)-ONE
B62 - [nb=2] --> .....RAHYDROPTERIDIN-4(3H)-ONE
4ZO - [nb=2] --> .....enzyl]carbamoyl}glycinate
0L1 - [nb=2] --> HEXANEDIOIC ACID
LRH - [nb=2] --> .....OXY-BETA-L-FRUCTOFURANOSE
ASN - [nb=2] --> ASPARAGINE
G1L - [nb=2] --> .....METHYL)PHENYL]PROPANAMIDE
FCB - [nb=2] --> SUGAR (BETA-D-FUCOSE)
B61 - [nb=2] --> .....DIHYDROPTERIDIN-4(3H)-ONE
OLC - [nb=2] --> .....pyl (9Z)-octadec-9-enoate
AFQ - [nb=2] --> .....zo[4,5-g]quinazolin-8-one
DAS - [nb=2] --> D-ASPARTIC ACID
IPT - [nb=2] --> .....-1-BETA-D-THIOGALACTOSIDE
728 - [nb=2] --> .....DIN-1-YL]-2-OXOETHYL}UREA
FSI - [nb=2] --> .....EOXY-3-FLUORONONONIC ACID
0J5 - [nb=2] --> .....YRIDAZIN-3-YL)ACETIC ACID
Z17 - [nb=2] --> .....IDAZIN-3-YL)BUTANOIC ACID
KPA - [nb=2] --> .....5-PHOSPHONOPENTANOIC ACID
1B2 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
LJZ - [nb=2] --> .....OPHENYL)-4-OXOBUTANAMIDE]
PGE - [nb=2] --> TRIETHYLENE GLYCOL
3P1 - [nb=2] --> .....-YLMETHYL)AMINO]ADENOSINE
DCA - [nb=2] --> DESULFO-COENZYME A
NLP - [nb=2] --> .....O-PENTYL)-PHOSPHONIC ACID
IPD - [nb=2] --> .....-MYO-INOSITOL-1-PHOSPHATE
PGS - [nb=2] --> .....UANOSINE-5'-MONOPHOSPHATE
MU2 - [nb=2] --> .....L-L-ALANYL-D-ISOGLUTAMINE
RIS - [nb=2] --> .....IDENE BIS-PHOSPHONIC ACID
DQR - [nb=2] --> .....-ALPHA-D-GLUCOPYRANOSIDE)
FFO - [nb=2] --> .....)BENZOYL]-L-GLUTAMIC ACID
CO8 - [nb=2] --> OCTANOYL-COENZYME A
ICP - [nb=2] --> .....-PYRIMIDIN-4-YLIDENEAMINE
DS0 - [nb=2] --> .....-YL] DIHYDROGEN PHOSPHATE
UCD - [nb=2] --> .....-PYRAN-2-CARBOXYLIC ACID)
CAR - [nb=2] --> .....NE ARABINOSE-5'-PHOSPHATE
0DJ - [nb=2] --> .....-B]PYRIDIN-6-YL)BENZAMIDE
211 - [nb=2] --> .....,2',2''-NITRILOTRIETHANOL
WM2 - [nb=2] --> CYCLOHEXANECARBOXAMIDE
AOC - [nb=1] --> .....O-PROP-2-YN-1-YLADENOSINE
M7C - [nb=1] --> .....5]DEC-2-YLIDENE]BENZAMIDE
2GN - [nb=1] --> .....PHOLINOSULFONYL)BENZAMIDE
ACI - [nb=1] --> .....CLOHEX-4-ENE-1,2,3-TRIOL)
3B8 - [nb=1] --> .....-B]PYRIDINE-3-CARBOXAMIDE
644 - [nb=1] --> .....PHENYL)AMINO]BENZOIC ACID
PVC - [nb=1] --> .....ITOYLOXY)HEX-2-ENOIC ACID
LPG - [nb=1] --> L-PROPARGYLGLYCINE
32G - [nb=1] --> .....[3,4-D]IMIDAZOL-2(3H)-ONE
6JU - [nb=1] --> .....-1-yl)-N-hydroxyacetamide
6NE - [nb=1] --> .....imidazol-2-yl]-D-glucitol
4FN - [nb=1] --> .....benzoxazole-4-carboxamide
FCF - [nb=1] --> .....,7-DIEN-1-YL]BENZOIC ACID
IKY - [nb=1] --> .....1,3-OXAZOLE-4-CARBOXAMIDE
ARB - [nb=1] --> SUGAR (ALPHA-L-ARABINOSE)
HTO - [nb=1] --> HEPTANE-1,2,3-TRIOL
SB8 - [nb=1] --> .....Y)ETHYL(HYDROXY)FORMAMIDE
AHX - [nb=1] --> .....E-ADENOSINE MONOPHOSPHATE
7JT - [nb=1] --> .....entyl-N-hydroxybutanamide
MAQ - [nb=1] --> .....ETHYLQUINAZOLIN-4(3H)-ONE
TUL - [nb=1] --> .....ihydropyrimidin-4(1H)-one
DL6 - [nb=1] --> .....O-2H-PYRAN-2-YL)ACETAMIDE
DCO - [nb=1] --> .....SPHONOMETHYL-ACRYLIC ACID
SF5 - [nb=1] --> .....azol-3-yl}methyl)benzoate
AIX - [nb=1] --> .....OLIDINE-4-CARBOXYLIC ACID
FPC - [nb=1] --> .....E-6-PHOSPHATE (OPEN FORM)
H78 - [nb=1] --> .....ONO-ETHYL]PHOSPHONIC ACID
78X - [nb=1] --> .....traene-4,10,13,16-tetrone
QUE - [nb=1] --> .....3',4'-PENTAHYDROXYFLAVONE
ITT - [nb=1] --> INOSINE 5'-TRIPHOSPHATE
5LI - [nb=1] --> .....OXY)AMINO]ETHYL}BENZAMIDE
DHP - [nb=1] --> .....OXO-4-HYDROXY-3-PYRROLINE
3GP - [nb=1] --> .....UANOSINE-3'-MONOPHOSPHATE
7GP - [nb=1] --> .....-D-GLUCOPYRANOSYL)OXAMATE
LMR - [nb=1] --> .....2-HYDROXYBUTANEDIOIC ACID
Z25 - [nb=1] --> .....DAZIN-3-YL)PROPANOIC ACID
4NP - [nb=1] --> 4-NITROPHENYL PHOSPHATE
NEZ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
2YV - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
H02 - [nb=1] --> .....IN IX 2,4-DISULFONIC ACID
6M1 - [nb=1] --> .....MINO-6-METHYLBENZOIC ACID
4ZM - [nb=1] --> .....enzyl]carbamoyl}glycinate
4FL - [nb=1] --> .....1H-imidazol-2-yl)pyridine
HBZ - [nb=1] --> .....ETA-D-GLUCOPYRANOSYLAMINE
6VY - [nb=1] --> .....zanyl-ethanesulfonic acid
1BO - [nb=1] --> 1-BUTANOL
TEU - [nb=1] --> .....GLUCOPYRANOSYL-D-FRUCTOSE
93E - [nb=1] --> .....-chloranylpyridin-2-amine
SF7 - [nb=1] --> .....-yl}-N-hydroxyheptanamide
0OV - [nb=1] --> .....DIN-8(5H)-YL]ACETONITRILE
A3N - [nb=1] --> .....-2-YN-1-YLAMINO)ADENOSINE
B60 - [nb=1] --> .....DIHYDROPTERIDIN-4(3H)-ONE
P53 - [nb=1] --> .....20-DIEN-1-AMINIUM 4-OXIDE
4H1 - [nb=1] --> .....no)pyridine-3-carboxamide
4H3 - [nb=1] --> .....no}pyridine-3-carboxamide
4H7 - [nb=1] --> .....no}pyridine-3-carboxamide
5AE - [nb=1] --> .....)-1,3,5-TRIAZIN-2(1H)-ONE
4F0 - [nb=1] --> .....yl)methyl]pyrrolidin-3-ol
4L9 - [nb=1] --> .....zepin-3-yl]-L-alaninamide
HA1 - [nb=1] --> .....5-PHOSPHONOPENTYL)GUANINE
0EX - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
2MQ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
B53 - [nb=1] --> .....ITROSOPYRIMIDIN-4(3H)-ONE
3DG - [nb=1] --> .....A-D-RIBOFURANOSYL)GUANINE
AL0 - [nb=1] --> .....(NITROSO)AMINO]-L-ALANINE
SCA - [nb=1] --> SUCCINYL-COENZYME A
W7O - [nb=1] --> .....IMIDINE-4-CARBOXYLIC ACID
250 - [nb=1] --> .....L]PROPANE-1-SULFONIC ACID
BDE - [nb=1] --> .....THYLENE]NICOTINOHYDRAZIDE
OK3 - [nb=1] --> .....[E][1,2]OXABORININ-2-UIDE
8LC - [nb=1] --> .....S(2,3-DIHYDROXYBENZAMIDE)
IJ6 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
4GM - [nb=1] --> .....no]pyridine-3-carboxamide
3B9 - [nb=1] --> .....ROPYL]-4-PHENOXYBENZAMIDE
AMV - [nb=1] --> .....XY-BETA-D-GLUCOPYRANOSIDE
OBZ - [nb=1] --> O-BENZYLHYDROXYLAMINE
BTX - [nb=1] --> .....PENTYL HYDROGEN PHOSPHATE
MPH - [nb=1] --> .....L-PROPYL)-PHOSPHONIC ACID
LY0 - [nb=1] --> .....L]-2-METHYLPROPANOIC ACID
1WJ - [nb=1] --> .....ETA-D-RIBO-HEXOFURANOSIDE
GL6 - [nb=1] --> .....IDIC ACID DIMETHYL ESTER)
XYS - [nb=1] --> SUGAR (XYLOPYRANOSE)
DHZ - [nb=1] --> .....YRIMIDIN-2-ONE NUCLEOSIDE
36F - [nb=1] --> .....-1,3-BENZOXAZOL-2(3H)-ONE
YT5 - [nb=1] --> Moiramide B
FNS - [nb=1] --> .....LFO-FLAVIN MONONUCLEOTIDE
HTP - [nb=1] --> .....OLO[1,5-A]PYRIDIN-8-YLIUM
DMA - [nb=1] --> DIMETHYLALLYL DIPHOSPHATE
6LJ - [nb=1] --> .....uinolin-2-yl)benzonitrile
2F1 - [nb=1] --> .....L)PHENYL]PROPAN-2-YL}UREA
DCT - [nb=1] --> .....YCYTIDINE 5'-TRIPHOSPHATE
TMG - [nb=1] --> .....OL-4-YL)-1H-BENZIMIDAZOLE
AZZ - [nb=1] --> .....'-AZIDO-3'-DEOXYTHYMIDINE
MDR - [nb=1] --> .....FURANOSYL)-6-METHYLPURINE
5NT - [nb=1] --> .....olo[3,2-d]pyrimidin-4-one
1CS - [nb=1] --> .....L-L,3,5-TRIAZIN-2-YL)UREA
GU7 - [nb=1] --> .....]-1,7-DIHYDRO-PURIN-6-ONE
APZ - [nb=1] --> 4-AMINOPHTHALHYDRAZIDE
4F9 - [nb=1] --> .....1H-imidazol-5-yl)pyridine
ADV - [nb=1] --> .....BETA METHYLENE ADP-RIBOSE
KDG - [nb=1] --> 2-KETO-3-DEOXYGLUCONATE
AGL - [nb=1] --> .....Y-4-AMINO-ALPHA-D-GLUCOSE
920 - [nb=1] --> .....IMIDO[4,5-B]INDOL-8-AMINE
2BC - [nb=1] --> .....HTHALENE-2-CARBOHYDRAZIDE
CS2 - [nb=1] --> D-MANNONIC ACID
4G3 - [nb=1] --> .....no]pyridine-3-carboxamide
DOO - [nb=1] --> .....IMIDO[4,5-B]INDOL-8-AMINE
BB4 - [nb=1] --> .....-3-yl)-N-hydroxyacetamide
EFY - [nb=1] --> .....benzoxazole-4-carboxamide
6MY - [nb=1] --> .....imidazol-2-yl)-D-glucitol
6MQ - [nb=1] --> .....ne)-beta-D-ribofuranoside
4RG - [nb=1] --> .....HENOXYMETHYL)BENZOIC ACID
CAW - [nb=1] --> .....NAPHTHALENE-1-CARBOXAMIDE
R1P - [nb=1] --> .....UGAR (RIBOSE-1-PHOSPHATE)
C77 - [nb=1] --> .....,3-TRIAZOL-1-YL)ADENOSINE
5F1 - [nb=1] --> .....RO-2',5'-DIDEOXYADENOSINE
BHC - [nb=1] --> .....NZENE HEXACARBOXYLIC ACID
BNG - [nb=1] --> SUGAR (B-NONYLGLUCOSIDE)
6MM - [nb=1] --> .....-one (non-preferred name)
14B - [nb=1] --> .....-3,5-DIMETHYLBENZOIC ACID
4G0 - [nb=1] --> .....no}pyridine-3-carboxamide
FHC - [nb=1] --> .....OXYPHENYL)-2E-PROPENEOATE
G3H - [nb=1] --> .....LYCERALDEHYDE-3-PHOSPHATE
W7P - [nb=1] --> .....IMIDINE-4-CARBOXYLIC ACID
AP2 - [nb=1] --> .....HONIC ACID ADENOSYL ESTER
LOG - [nb=1] --> SUGAR (LOGNAC)
7BS - [nb=1] --> .....yl-beta-D-glucopyranoside
RSM - [nb=1] --> .....METHYLSULFINYL]BUTANAMIDE
6OK - [nb=1] --> .....zo[4,5-g]quinazolin-8-one
1GP - [nb=1] --> SN-GLYCEROL-1-PHOSPHATE
SFM - [nb=1] --> .....5-DIENE-2,5,8,20-TETRAONE
PPY - [nb=1] --> 3-PHENYLPYRUVIC ACID
BBR - [nb=1] --> .....O-PROPOXY)PHOSPHONIC ACID
4GT - [nb=1] --> .....)pyrimidine-5-carboxamide
NBG - [nb=1] --> .....ACETYL-BETA-D-GLUCOSAMINE
ZEB - [nb=1] --> .....XY-3,4-DIHYDRO-ZEBULARINE
3PY - [nb=1] --> 3-HYDROXYPYRUVIC ACID
BAP - [nb=1] --> .....-TETRAHYDROBENZO[A]PYRENE
4FD - [nb=1] --> .....no)pyridine-3-carboxamide
HA0 - [nb=1] --> .....LALANINE 5-PHENYL OXAZOLE
A2G - [nb=1] --> .....N-ACETYL-D-GALACTOSAMINE)
7RD - [nb=1] --> .....N-1-YL)THIOPHEN-2(5H)-ONE
GOB - [nb=1] --> .....AMINO)-4-OXOBUTANOIC ACID
BMX - [nb=1] --> .....NO-ALPHA-D-MANNOPYRANOSE)
2YX - [nb=1] --> .....)AMINO]ETHYL}BENZONITRILE
PNS - [nb=1] --> 4'-PHOSPHOPANTETHEINE
RAB - [nb=1] --> .....TETRAHYDRO-FURAN-3,4-DIOL
62N - [nb=1] --> .....ETA-D-GLUCOPYRANOSYLAMINE
6HD - [nb=1] --> .....nzimidazole-5-carboxamide
F24 - [nb=1] --> .....IMETHYLTETRADECANOIC ACID
JCL - [nb=1] --> .....DIN-5-YL) BUTYL PHOSPHATE
6R5 - [nb=1] --> .....l-thiophene-3-carboxylate
CAB - [nb=1] --> 4-CARBOXY-4-AMINOBUTANAL
6JT - [nb=1] --> .....entyl-N-hydroxybutanamide
78R - [nb=1] --> .....traene-4,10,13,16-tetrone
COZ - [nb=1] --> COENZYME A
4H8 - [nb=1] --> .....]pyrimidine-5-carboxamide
0V8 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
PML - [nb=1] --> PIMELIC ACID
GG6 - [nb=1] --> .....OXYPROPYL]PHOSPHONIC ACID
W88 - [nb=1] --> .....IMIDINE-4-CARBOXYLIC ACID
D8I - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
GAX - [nb=1] --> .....-3-(1,3-THIAZOL-2-YL)UREA
SB9 - [nb=1] --> .....DIN-2-YL)PROPYL]FORMAMIDE
HAD - [nb=1] --> .....YDROXYAMINO)ETHANOIC ACID
PPQ - [nb=1] --> PHOSPHINOTHRICIN
32B - [nb=1] --> .....-1-YL]PROPYL}BENZOIC ACID
B6P - [nb=1] --> .....ENOSINE-5') HEXAPHOSPHATE
IAG - [nb=1] --> .....-3-YL-ACETYL]GLYCINE ACID
OX2 - [nb=1] --> .....-METHYL-1,3,4-OXADIAZOLE)
CNP - [nb=1] --> .....YL-N-ACETYL-NEURAMIC ACID
SFJ - [nb=1] --> .....H-pyran-2-carboxylic acid
6GT - [nb=1] --> 2-oxoheptanedioic acid
MMP - [nb=1] --> N-METHYLMESOPORPHYRIN
LCM - [nb=1] --> .....S(2,3-DIHYDROXYBENZAMIDE)
GAP - [nb=1] --> .....YL-ADENOSINE-5'-PHOSPHATE
YDR - [nb=1] --> .....HIO-ALPHA-D-MANNOPYRANOSE
6TC - [nb=1] --> .....yl]pyrazole-4-carboxamide
APW - [nb=1] --> .....ADENOSINATO(2-)}MAGNESIUM
S7M - [nb=1] --> .....-YL]METHYL}ETHYLSULFONIUM
2RB - [nb=1] --> .....]-4-METHOXYBENZOHYDRAZIDE
W86 - [nb=1] --> .....IMIDINE-4-CARBOXYLIC ACID
4GX - [nb=1] --> .....)piperazin-1-yl]methanone
THR - [nb=1] --> THREONINE
MPO - [nb=1] --> .....INO]PROPANE SULFONIC ACID
53Z - [nb=1] --> .....YRROLIDIN-1-YL)ETHYL]UREA
XAN - [nb=1] --> XANTHINE
63U - [nb=1] --> .....hiazine-4-carboxylic acid
ILA - [nb=1] --> .....-[ADENOSYL]-DIAMINOSUFONE
GLO - [nb=1] --> .....D-GLUCOSE IN LINEAR FORM)
4BE - [nb=1] --> .....ETHYLIDENE]BENZOHYDRAZIDE
62D - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
67Z - [nb=1] --> .....DIN-1-YL]-2-OXOETHYL}UREA
6N1 - [nb=1] --> .....midazole-6-carbohydrazide
SB7 - [nb=1] --> .....ENYLPROPYL)AMINO]METHANOL
BMA - [nb=1] --> BETA-D-MANNOSE
EAT - [nb=1] --> .....ETHYLPYRROLIDINE-3,4-DIOL
CXS - [nb=1] --> .....XYL-1-PROPYLSULFONIC ACID
LL9 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
GAR - [nb=1] --> .....LYCINAMIDE RIBONUCLEOTIDE
7BL - [nb=1] --> .....a-5,9,13,15-tetraen-2-one
LTN - [nb=1] --> L-TRYPTOPHANAMIDE
MIF - [nb=1] --> .....-AZASPIRO[4.5]DECAN-4-ONE
IMK - [nb=1] --> .....5-METHYL-1-BENZIMIDAZOLE)
0WY - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
2D8 - [nb=1] --> .....L]-2-METHYLPROPANOIC ACID
DUR - [nb=1] --> 2'-DEOXYURIDINE
37R - [nb=1] --> .....enoxazin-2-yl)pentanamide
NBX - [nb=1] --> .....ETA-D-GLUCOPYRANOSYLAMINE
SQO - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
UVW - [nb=1] --> ACETYLPHOSPHATE
L37 - [nb=1] --> .....L]-CARBONYL-GLUTAMIC ACID
6VX - [nb=1] --> .....henyl-ethanesulfonic acid
T68 - [nb=1] --> .....ETA-D-GLUCOPYRANOSYLAMINE
IMG - [nb=1] --> .....AZAGUANIN-9-YL)-D-RIBITOL
BC4 - [nb=1] --> .....[3,4-D]IMIDAZOL-2(3H)-ONE
MFY - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
4S4 - [nb=1] --> .....nyl]amino}benzoyl)glycine
2DI - [nb=1] --> .....,9-DIHYDRO-6H-PURIN-6-ONE
SIE - [nb=1] --> .....ENYL)-1H-INDOL-6-YL ESTER
7DG - [nb=1] --> 7-DEAZAGUANINE
NVU - [nb=1] --> .....oxazol-3-yl)ethanoic acid
L5V - [nb=1] --> .....2,4-TRIAZOL-3-YL)PYRAZINE
SLA - [nb=1] --> .....-4-METHYL-5-OXO-D-PROLINE
4H4 - [nb=1] --> .....-oxadiazole-3-carboxamide
NGW - [nb=1] --> .....-D][1,3]THIAZOLE-6,7-DIOL
DEI - [nb=1] --> .....ULFANYL)PROP-2-ENOIC ACID
PZP - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
9HX - [nb=1] --> 9-DEAZAHYPOXANTHINE
HF1 - [nb=1] --> .....HIO)-BUTYLPHOSPHONIC ACID
1A0 - [nb=1] --> .....N-4-YL]PYRROLIDIN-3-AMINE
0EV - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
6DR - [nb=1] --> .....YL}PYRIMIDINE-2,4-DIAMINE
5RZ - [nb=1] --> .....yl-1,9-dihydropurin-6-one
VPM - [nb=1] --> .....PAN-2-YL)BUTANEDIOIC ACID
TBU - [nb=1] --> TERTIARY-BUTYL ALCOHOL
YTZ - [nb=1] --> .....L-2-YL)BENZENESULFONAMIDE
IH9 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
7M2 - [nb=1] --> .....pyrrolo[1,2-a]quinoxaline
DFP - [nb=1] --> DIISOPROPYL PHOSPHONATE
A3D - [nb=1] --> .....DINE ADENINE DINUCLEOTIDE
ETX - [nb=1] --> 2-ETHOXYETHANOL
YE6 - [nb=1] --> .....YL)FURAN-2-CARBOHYDRAZIDE
5RC - [nb=1] --> .....l]thiophene-2-carboxamide
B21 - [nb=1] --> .....HOXYPHENYL)-2-FUROIC ACID
35G - [nb=1] --> .....OSINE-3',5'-MONOPHOSPHATE
HPY - [nb=1] --> .....IHYDRO-1H-PYRIMIDIN-2-ONE
L99 - [nb=1] --> .....bis(azanyl)benzohydrazide
4HQ - [nb=1] --> .....lpiperazin-1-yl)methanone
DXF - [nb=1] --> .....HIAZINE-4-CARBOXYLIC ACID
GCO - [nb=1] --> SUGAR (GLUCONIC ACID)
DUP - [nb=1] --> .....A,BETA-IMIDO-TRIPHOSPHATE
KMT - [nb=1] --> .....FANYL)-2-OXOBUTANOIC ACID
4G1 - [nb=1] --> .....benzoxazole-4-carboxamide
S79 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
5N5 - [nb=1] --> .....'-AMINO-5'-DEOXYADENOSINE
HSP - [nb=1] --> .....NYL)-BUTYLPHOSPHONIC ACID
3FD - [nb=1] --> .....ETHOXYMETHYL]BENZONITRILE
GLV - [nb=1] --> GLYOXYLIC ACID
4GP - [nb=1] --> .....LUCOPYRANOSYL)OXAMIC ACID
FLQ - [nb=1] --> .....'-XANTHENE]-6-CARBOXAMIDE
B56 - [nb=1] --> .....ERIDINE-6-CARBOXYLIC ACID
A05 - [nb=1] --> .....ITROPHENYL)-2-FUROIC ACID
08D - [nb=1] --> SULFAMETHOXAZOLE
W87 - [nb=1] --> .....IMIDINE-4-CARBOXYLIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
LFR - [nb=1] --> ..... (BETA-L-FRUCTO-FURANOSE)
7HV - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
MV1 - [nb=1] --> .....O)-3-OXOPROPYL]BUTANAMIDE
68D - [nb=1] --> .....)amino]phenyl}acetic acid
PUY - [nb=1] --> PUROMYCIN
6Q9 - [nb=1] --> .....H}-pyrazole-4-sulfonamide
9DI - [nb=1] --> 9-DEAZAINOSINE
2YW - [nb=1] --> .....2-YL)AMINO]ETHYL}BENZOATE
XSP - [nb=1] --> .....OSPHONOOXY)PROPANOIC ACID
F9F - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
4EH - [nb=1] --> .....yl)methyl]pyrrolidin-3-ol
NBP - [nb=1] --> .....NE DINUCLEOTIDE PHOSPHATE
H5P - [nb=1] --> HYDANTOCIDIN-5'-PHOSPHATE
UDX - [nb=1] --> .....-DIPHOSPHATE-XYLOPYRANOSE
4D1 - [nb=1] --> .....eta-D-glucopyranosylamine
MTY - [nb=1] --> META-TYROSINE
AQ3 - [nb=1] --> .....XYPHENYL)AMINO]-D-ALANINE
ELA - [nb=1] --> 9-OCTADECENOIC ACID
PK3 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
ACX - [nb=1] --> .....TRIN (CYCLOHEXA-AMYLOSE))
2QR - [nb=1] --> .....YL DIHYDROGEN DIPHOSPHATE
0OW - [nb=1] --> .....}PYRIMIDINE-5-CARBOXAMIDE
2YO - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
A22 - [nb=1] --> .....YL DIHYDROGEN DIPHOSPHATE
MSG - [nb=1] --> 7-METHYL-6-THIO-GUANOSINE
PG4 - [nb=1] --> TETRAETHYLENE GLYCOL
22L - [nb=1] --> .....2,3-D]PYRIMIDIN-4(3H)-ONE
B85 - [nb=1] --> benzylphosphonic acid
P2G - [nb=1] --> .....IOXOL-2-YLPHOSPHONIC ACID
A - [nb=1] --> .....DENOSINE-5'-MONOPHOSPHATE
810 - [nb=1] --> .....quinazolin-6-yl]carbamate
3BD - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
PLT - [nb=1] --> .....4-YLMETHYL]-L-TRYPTOPHANE
NIA - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
MIO - [nb=1] --> .....METHYL-1,2-OXAZOL-5-AMINE
ACR - [nb=1] --> ALPHA-ACARBOSE
22A - [nb=1] --> .....OLO[3,2-D]PYRIMIDIN-4-ONE
SLP - [nb=1] --> 3-SELANYLPROPANOIC ACID
A2D - [nb=1] --> .....L} DIHYDROGEN DIPHOSPHATE
1KN - [nb=1] --> .....ETHYLPYRROLIDINE-3,4-DIOL
VO3 - [nb=1] --> TETRAMETAVANADATE
XTZ - [nb=1] --> .....L-2-YL)BENZENESULFONAMIDE
4GN - [nb=1] --> .....no]pyridine-3-carboxamide
NHL - [nb=1] --> .....YLMETHYL)-D-GLUTAMIC ACID
0OX - [nb=1] --> .....)PYRIMIDINE-5-CARBOXAMIDE
7DR - [nb=1] --> .....YL]PYRIMIDINE-2,4-DIAMINE
B52 - [nb=1] --> .....DAZIN-3-YL)PROPANOIC ACID
1CZ - [nb=1] --> .....N-23-OIC ACID 3,5-DIOXIDE
IAV - [nb=1] --> .....L-3-YL-ACETYL]VALINE ACID
IJ1 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
671 - [nb=1] --> .....DIN-1-YL]-2-OXOETHYL}UREA
ZVS - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
EOP - [nb=1] --> .....YL)]}BIS(PHOSPHONIC ACID)
TZD - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
P1D - [nb=1] --> .....-YL)METHYLPHOSPHONIC ACID
0V2 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
4VT - [nb=1] --> .....pyrimidine-3-carbonitrile
6JX - [nb=1] --> .....quinazolin-6-yl)carbamate
GOX - [nb=1] --> .....HYDROPYRIDINE-3,4,5-TRIOL
RVP - [nb=1] --> RIBAVIRIN MONOPHOSPHATE
AQO - [nb=1] --> .....AMINOQUINAZOLIN-4(3H)-ONE
UD7 - [nb=1] --> .....HORYL] HYDROGEN PHOSPHATE
2OP - [nb=1] --> .....)-2-HYDROXYPROPANOIC ACID
6GP - [nb=1] --> .....-D-GLUCOPYRANOSYL)OXAMATE
LZL - [nb=1] --> .....O[6,5-D]PYRIMIDIN-2-AMINE
C2U - [nb=1] --> .....ORO-2-HYDROXYBENZOIC ACID
3BE - [nb=1] --> .....ETHYLIDENE]BENZOHYDRAZIDE
L24 - [nb=1] --> .....L]-CARBONYL-GLUTAMIC ACID
NB8 - [nb=1] --> .....ROXY)PHOSPHORYL]ADENOSINE
W7F - [nb=1] --> .....IMIDINE-4-CARBOXYLIC ACID
2PE - [nb=1] --> NONAETHYLENE GLYCOL
4G4 - [nb=1] --> .....no}pyridine-3-carboxamide
PXJ - [nb=1] --> .....S(2,3-DIHYDROXYBENZAMIDE)
4BB - [nb=1] --> .....ETHYLIDENE]BENZOHYDRAZIDE
IHP - [nb=1] --> INOSITOL HEXAKISPHOSPHATE
GFP - [nb=1] --> .....HA-D-GLUCOSE-1-PHOSPHATE)
S60 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
PMS - [nb=1] --> .....henylmethanesulfonic acid
L5Y - [nb=1] --> .....YRIDIN-4-YL]AMINO}ETHANOL
VMP - [nb=1] --> .....NAPHTHALENE-2-CARBOXAMIDE
SIB - [nb=1] --> .....METHYL}THIO)BUTANOIC ACID
19Y - [nb=1] --> .....PYRIMIDINE-5-CARBALDEHYDE
STS - [nb=1] --> .....IDAZO[4,5-C]PYRIDIN-5-IUM
TA9 - [nb=1] --> .....YL]FLUORENE-1-CARBOXAMIDE
19D - [nb=1] --> .....]octane-5-carboxylic acid
4FG - [nb=1] --> .....inopyridine-3-carboxamide
S98 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
6H9 - [nb=1] --> .....midazole-5-carbohydrazide
TAM - [nb=1] --> .....HYDROXYETHYL)AMINOMETHANE
BU1 - [nb=1] --> 1,4-BUTANEDIOL
MP1 - [nb=1] --> .....RPHYRIN CONTAINING COPPER
D3Y - [nb=1] --> .....(D-TYROSYLAMINO)ADENOSINE
B76 - [nb=1] --> [1-HYDROXY-2-(1,1'
EFW - [nb=1] --> .....no}pyridine-3-carboxamide
PCZ - [nb=1] --> .....HIAZINE-4-CARBOXYLIC ACID
PN3 - [nb=1] --> .....enylpropan-2-yl}carbamate
EOB - [nb=1] --> .....YL)]}BIS(PHOSPHONIC ACID)
P22 - [nb=1] --> .....YL DIHYDROGEN DIPHOSPHATE
BO2 - [nb=1] --> .....ONYL)-L-PHENYLALANINAMIDE
4H6 - [nb=1] --> .....no}pyridine-3-carboxamide
JZK - [nb=1] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
2YM - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
5UC - [nb=1] --> .....rimidine-2,4(1H,3H)-dione
4GZ - [nb=1] --> .....no}pyridine-3-carboxamide
FC2 - [nb=1] --> .....LOROPHENYL)-2-FUROIC ACID
B58 - [nb=1] --> .....-D]PYRIDAZINE-4,7-DIAMINE
IJ4 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
10L - [nb=1] --> 1H-INDAZOL-7-AMINE
CPS - [nb=1] --> .....MONIO]-1-PROPANESULFONATE
GPM - [nb=1] --> .....1-METHYL-PHOSPHONIC ACID)
2BE - [nb=1] --> .....ETHYLIDENE]BENZOHYDRAZIDE
PCW - [nb=1] --> .....-GLYCERO-3-PHOSPHOCHOLINE
N5Y - [nb=1] --> .....N-5-YL)-N-METHYLBENZAMIDE
1X8 - [nb=1] --> .....YRIDINE-2,7-DICARBOXAMIDE
6QK - [nb=1] --> .....-yl)sulfanyl-benzoic acid
BIR - [nb=1] --> .....LMETHYL)PROPANOYL]ALANINE
B63 - [nb=1] --> .....)ETHYL]AMINO}BENZOIC ACID
FSG - [nb=1] --> .....-OXOETHYL]PHOSPHONIC ACID
DC - [nb=1] --> .....CYTIDINE-5'-MONOPHOSPHATE
3D1 - [nb=1] --> .....(HYDROXYMETHYL)FURAN-3-OL
1DA - [nb=1] --> 1-DEAZA-ADENOSINE
6N2 - [nb=1] --> .....nzimidazol-5-yl)guanidine
0O1 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
IJ2 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
NTZ - [nb=1] --> NOJIRIMYCINE TETRAZOLE
TH9 - [nb=1] --> .....OXY-4-OXOBUT-2-ENOIC ACID
3XR - [nb=1] --> .....3,4-dihydroxypiperidinium
MEQ - [nb=1] --> N5-METHYLGLUTAMINE
4H9 - [nb=1] --> .....4-methoxyphenyl)methanone
YH5 - [nb=1] --> .....,7-DIHYDRO-6H-PURIN-6-ONE
TA6 - [nb=1] --> .....ONO-BETA-D-TAGATOFURANOSE
HCE - [nb=1] --> .....olidin-3-yl}-L-methionine
M3I - [nb=1] --> .....METHYL-1,2-OXAZOL-3-AMINE
HRD - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
H1D - [nb=1] --> .....OPYLMERCAPTO]BUTYRIC ACID
E08 - [nb=1] --> .....CARBONYLAMINO]ETHYL]BORON
IYR - [nb=1] --> 3-IODO-TYROSINE
VZZ - [nb=1] --> .....BONYL)OXY]UNDECANOIC ACID
48Y - [nb=1] --> .....-1,2,4-tricarboxylic acid
1WK - [nb=1] --> .....ETA-D-RIBO-HEXOFURANOSIDE
3HL - [nb=1] --> .....S)-3-HYDROXYBUTANOIC ACID
ICT - [nb=1] --> ISOCITRIC ACID
4FM - [nb=1] --> .....-oxadiazole-3-carboxamide
DPZ - [nb=1] --> .....,5-DIAMINOPHTHALHYDRAZIDE
1D0 - [nb=1] --> .....ENYL)AMINO]PROPANOIC ACID
PAB - [nb=1] --> 4-AMINOBENZOIC ACID
4MM - [nb=1] --> .....SULFANYL)PROPAN-1-AMINIUM
5AL - [nb=1] --> .....ROXY)PHOSPHORYL]ADENOSINE
2BJ - [nb=1] --> .....MOYL}-4-NITROBENZOIC ACID
4MV - [nb=1] --> 4-METHYL VALERIC ACID
EMO - [nb=1] --> .....8-TRIHYDROXYANTHRAQUINONE
G6D - [nb=1] --> .....(6-DEOXY-ALPHA-D-GLUCOSE)
UAG - [nb=1] --> .....OYL-L-ALANINE-D-GLUTAMATE
B54 - [nb=1] --> .....MINO]PROPOXY}BENZOIC ACID
HMS - [nb=1] --> D-ribulose 5-phosphate
5LM - [nb=1] --> .....,3-diazinane-2,4,6-trione
POB - [nb=1] --> .....SPHINOYLOXY]-BUTYRIC ACID
GGL - [nb=1] --> GAMMA-L-GLUTAMIC ACID
AEK - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
76X - [nb=1] --> pyridine-2,3-diamine
4FX - [nb=1] --> .....no]pyridine-3-carboxamide
6NK - [nb=1] --> .....nzimidazole-6-carboxamide
PBE - [nb=1] --> 1,1-DIMETHYL-PROLINIUM
56F - [nb=1] --> .....-methylmethanesulfonamide
2FP - [nb=1] --> .....DIPHOSPHATE (LINEAR FORM)
8GP - [nb=1] --> .....-N'-CYCLOPROPYL OXALAMIDE
ISE - [nb=1] --> .....PENTAHYDROXYCYCLOHEXANONE
0H9 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
KDP - [nb=1] --> 2-KETO-DEOXY-GALACTOSE
K80 - [nb=1] --> .....ENYL)PYRROLIDINE-3,4-DIOL
3NZ - [nb=1] --> .....L-TYROSYL)AMINO]ADENOSINE
KS2 - [nb=1] --> .....ol-3-yl]oxane-3,4,5-triol
OT5 - [nb=1] --> .....APHTHYRIDIN-3-YL]ETHANONE
2EL - [nb=1] --> .....YL}METHYL)PYRROLIDIN-3-OL
P1G - [nb=1] --> .....-YL)METHYLPHOSPHONIC ACID
FUM - [nb=1] --> FUMARIC ACID
6QL - [nb=1] --> .....din-2-yl)oxy]benzoic acid
TH1 - [nb=1] --> .....)-5-METHYL-BENZOTHIAZOLE)
3NM - [nb=1] --> .....HIAZOLE-2-CARBOXYLIC ACID
34D - [nb=1] --> 3,5-DIHYDROXYBENZOATE
6R4 - [nb=1] --> .....arbonylsulfamoyl]benzoate
302 - [nb=1] --> .....,7-DIEN-1-YL]BENZOIC ACID
3BA - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
PE4 - [nb=1] --> .....)-ETHOXY]-ETHOXY}-ETHANOL
BHB - [nb=1] --> .....THYL)-3H-QUINAZOLIN-4-ONE
OIR - [nb=1] --> .....ANOYL)PHENYLALANYLALANINE
TI1 - [nb=1] --> .....ULFANYLHEPTANOYL]-PHE-ALA
LIS - [nb=1] --> .....O-4,5-EPOXIPENTANOIC ACID
MLT - [nb=1] --> D-MALATE
58G - [nb=1] --> .....no}pyridine-3-carboxamide
X8M - [nb=1] --> IPRATROPIUM
4FV - [nb=1] --> .....-oxadiazole-3-carboxamide
2RD - [nb=1] --> .....RIAZOLE-4-CARBOXYLIC ACID
ATR - [nb=1] --> .....OADENOSINE-5'-DIPHOSPHATE
5CD - [nb=1] --> .....-CHLORO-5'-DEOXYADENOSINE
LZJ - [nb=1] --> .....-D]PYRIMIDINE-2,7-DIAMINE
4GY - [nb=1] --> .....-oxadiazole-3-carboxamide
KYN - [nb=1] --> KYNURENINE
H2P - [nb=1] --> .....R (HEPTULOSE-2-PHOSPHATE)
RPD - [nb=1] --> .....HYDANTOCIDIN 5'-PHOSPHATE
73E - [nb=1] --> .....ol-3-yl)oxane-3,4,5-triol
UEG - [nb=1] --> .....YL)-2-METHYL-PYRIDIN-3-OL
CSS - [nb=1] --> S-MERCAPTOCYSTEINE
GPX - [nb=1] --> .....ANOSINE 5'-DIPHOSPHATE 2'
ECA - [nb=1] --> .....S(2,3-DIHYDROXYBENZAMIDE)
0V7 - [nb=1] --> .....AMINO]ETHANESULFONIC ACID
SM8 - [nb=1] --> SIMOCYCLINONE D8
RAR - [nb=1] --> .....YL)PYRIMIDINE-2,4-DIAMINE
6B4 - [nb=1] --> .....DIN-1-YL}-2-OXOETHYL)UREA
C3B - [nb=1] --> .....ANOSYLPYRIMIDIN-2(1H)-ONE
5CI - [nb=1] --> .....]AMINO}-5'-DEOXYADENOSINE
4D0 - [nb=1] --> .....eta-D-glucopyranosylamine
OSU - [nb=1] --> N-OCTANOYLSUCROSE
C4Y - [nb=1] --> .....yrrolidin-1-yl]ethyl}urea
AQP - [nb=1] --> .....ENOSINE-5'-TETRAPHOSPHATE
0V3 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
D53 - [nb=1] --> .....AMINO)ETHANESULFONIC ACID
OXC - [nb=1] --> OXONIC ACID
0YB - [nb=1] --> .....N-1-YL]BUTYL}BENZOIC ACID
MFX - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
4HF - [nb=1] --> .....CARBONYL]-L-GLUTAMIC ACID
AZG - [nb=1] --> .....ZOLO[4,5-D]PYRIMIDIN-7-OL
0WX - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
1LG - [nb=1] --> .....INE-4-SULFONYL)-BENZAMIDE
N - [nb=1] --> .....-MONOPHOSPHATE NUCLEOTIDE
W7Q - [nb=1] --> .....IMIDINE-4-CARBOXYLIC ACID
OAS - [nb=1] --> O-ACETYLSERINE
F85 - [nb=1] --> .....ETA-D-GLUCOPYRANOSYLAMINE
4GS - [nb=1] --> .....-oxadiazole-3-carboxamide
BGL - [nb=1] --> .....UGAR (B-2-OCTYLGLUCOSIDE)
N85 - [nb=1] --> .....ETA-D-GLUCOPYRANOSYLAMINE
0HY - [nb=1] --> .....]PYRIDAZIN-3-YL)BUTANOATE
4VK - [nb=1] --> .....methyl}benzenesulfonamide
6MP - [nb=1] --> 6-METHYLPURINE
4ZL - [nb=1] --> .....benzylcarbamoyl)glycinate
KMB - [nb=1] --> .....ETHYL-3H-QUINAZOLIN-4-ONE
RP5 - [nb=1] --> .....phono-beta-D-ribofuranose
2YL - [nb=1] --> .....L-1,3,5-TRIAZIN-2(1H)-ONE
59F - [nb=1] --> .....azinane-4-carboxylic acid
F58 - [nb=1] --> .....ETA-D-GLUCOPYRANOSYLAMINE
AWH - [nb=1] --> .....LIDENE]AMINO]BENZOIC ACID
I20 - [nb=1] --> .....NOYL}AMINO)PROPANOIC ACID
2PH - [nb=1] --> .....HANYL]-PHOSPHONOPHOSPHATE
MOH - [nb=1] --> METHANOL
CB9 - [nb=1] --> .....OLIDINE-4-CARBOXYLIC ACID
4GO - [nb=1] --> .....no)pyridine-3-carboxamide
SAQ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
U13 - [nb=1] --> .....MINO-5H-PYRAZOL-3-YLAMINE
APQ - [nb=1] --> .....THYL-3H-QUINAZOLINE-4-ONE
DO2 - [nb=1] --> .....AMINO-6-OXO-HEXANOIC ACID
AYD - [nb=1] --> .....O}PENT-3-ENYL DIPHOSPHATE
ZNB - [nb=1] --> .....AN-2-YL]METHYL]ETHANAMIDE
PCO - [nb=1] --> .....]-3,3-DIMETHYL-BUTYRAMIDE
M8P - [nb=1] --> .....NAPHTHALENE-2-CARBOXAMIDE
3AT - [nb=1] --> .....ADENOSINE-5'-TRIPHOSPHATE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
100
spr0077
21
35%
?
PF00512
C1_S1
36 -
(33)
8
1
/
6
/
1
2
101
spr0290
24
89%
0.56
PF00106
C1_S1
78 -
(51)
7
1
/
2
/
6
2
102
spr1410
21
42%
0.44
PF08282
C1_S1
130 -
(0)
8
1
/
2
/
5
0
103
spr1122
15
46%
0.52
PF00479
C3_S1
19 -
(17)
6
1
/
2
/
4
3
104
spr0914
19
36%
0.57
PF00762
C1_S1
26 -
(6)
7
1
/
2
/
3
0
105
spr0286
22
100%
0.77
PF08124
C1_S1
33 -
(0)
9
1
/
1
/
11
4
106
spr0262
24
67%
0.60
PF00107
C1_S1
54 -
(32)
10
1
/
1
/
3
0
107
spr0056
20
76%
0.53
PF00206
C2_S1
11 -
(6)
4
1
/ - /
3
0
108
spr1902
20
50%
?
PF01210
C1_S1
38 -
(25)
2
1
/ - /
2
1
109
spr0508
16
65%
0.50
PF00583
C1_S1
47 -
(26)
1
1
/ - /
1
0
110
spr1768
14
98%
0.61
PF02525
C1_S1
40 -
(28)
1
1
/ - / -
1
111
spr0894
83
100%
0.61
PF01048
C1_S1
112 -
(64)
20
- /
46
/
20
16
112
spr0021
49
75%
0.56
PF00709
C6_S1
95 -
(69)
20
- /
37
/
14
7
113
spr1379
59
43%
0.49
PF00005
C1_S1
82 -
(82)
12
- /
34
/
6
3
114
spr1635
72
42%
0.55
PF00591
C6_S1
114 -
(0)
20
- /
30
/
28
2
115
spr0441
61
100%
0.64
PF00162
C6_S1
92 -
(82)
20
- /
26
/
23
9
116
spr0011
97
58%
0.56
PF00156
C3_S1
132 -
(72)
20
- /
24
/
55
17
117
spr1155
69
52%
0.59
PF02729
C7_S1
78 -
(39)
20
- /
24
/
21
7
118
spr0319
41
61%
0.38
PF03275
C10_S1
96 -
(75)
14
- /
24
/
19
6
119
spr0687
54
49%
0.51
PF01746
C5_S1
64 -
(22)
20
- /
23
/
29
35
120
spr1757
46
65%
0.53
PF00154
C2_S1
44 -
(0)
11
- /
22
/
6
5
121
spr1916
77
70%
0.54
PF00343
C4_S1
119 -
(30)
20
- /
20
/
42
33
122
spr1314
30
49%
0.50
PF08402
C1_S1
58 -
(0)
13
- /
18
/
7
6
123
spr1510
65
67%
0.66
PF00091
C3_S1
68 -
(0)
10
- /
17
/
36
5
124
spr0728
38
63%
0.60
PF00005
C1_S1
57 -
(0)
15
- /
17
/
20
6
125
spr0045
35
99%
0.46
PF01259
C2_S1
62 -
(48)
13
- /
17
/
15
9
126
spr0408
35
56%
0.60
PF00005
C1_S1
61 -
(0)
14
- /
16
/
17
5
127
spr1276
38
76%
0.54
PF02540
C6_S1
67 -
(61)
13
- /
16
/
13
3
128
spr0320
59
74%
0.72
PF00483
C1_S1
74 -
(31)
20
- /
15
/
39
15
129
spr0012
39
72%
0.49
PF09336
C2_S1
25 -
(0)
5
- /
15
/
7
3
130
spr1289
43
43%
?
PF00005
C1_S1
56 -
(56)
12
- /
15
/
3
4
131
spr0812
35
43%
0.60
PF00005
C1_S1
46 -
(0)
14
- /
14
/
12
3
132
spr0385
28
60%
0.53
PF02786
C1_S1
66 -
(32)
20
- /
14
/
11
3
133
spr0043
30
65%
?
PF00005
C2_S1
58 -
(58)
11
- /
14
/
1
3
134
spr1515
53
73%
0.61
PF01820
C1_S1
99 -
(73)
14
- /
13
/
30
3
135
spr1354
36
44%
0.65
PF00005
C1_S1
60 -
(56)
15
- /
13
/
12
5
136
spr1121
34
64%
0.63
PF00005
C1_S1
57 -
(0)
14
- /
13
/
10
5
137
spr0339
25
69%
0.53
PF00288
C1_S1
48 -
(18)
13
- /
13
/
5
3
138
spr1450
23
44%
0.53
PF08543
C3_S1
95 -
(68)
8
- /
13
/
2
2
139
spr0613
22
57%
0.65
PF00215
C2_S1
32 -
(25)
9
- /
13
/
2
3
140
spr2033
46
91%
0.59
PF00478
C2_S1
63 -
(44)
19
- /
12
/
29
5
141
spr1910
35
59%
0.58
PF00579
C3_S1
36 -
(26)
9
- /
12
/
8
4
142
spr1734
38
53%
0.46
PF00005
C1_S1
61 -
(61)
12
- /
12
/
7
4
143
spr0238
20
56%
0.53
PF05496
C2_S1
24 -
(0)
7
- /
12
/
5
4
144
spr1397
25
44%
0.46
PF01336
C8_S1
87 -
(49)
9
- /
12
/ -
5
145
spr1456
31
100%
0.69
PF02224
C3_S1
38 -
(32)
13
- /
11
/
15
6
146
spr0222
27
40%
0.49
PF08402
C1_S1
33 -
(0)
11
- /
11
/
5
2
147
spr1903
24
47%
0.55
PF00483
C1_S1
44 -
(33)
9
- /
11
/
5
3
148
spr1656
30
45%
0.44
PF00005
C2_S1
58 -
(56)
12
- /
11
/
3
1
149
spr1005
44
51%
0.56
PF01513
C8_S1
72 -
(32)
20
- /
10
/
38
9
150
spr1775
47
55%
0.65
PF00334
C6_S1
79 -
(69)
20
- /
10
/
25
7
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