Analysis Module of LPIcom, analysis of ligand interacting residues

Analysis of Binding Sites
This module allows users to analyse the binding sites of a given ligand. The module create a comparative graph of ligand interacting residues VS non-ligand interacting residues. It also generate web-logo, two sample logo and predict any potential motif in interacting proteins. Following ligand is selected for further analysis:
Ligand ID (Code)	Present in PDB Chains	No. of binding sites	Ligand Formula	Ligand MW	Ligand Name
MSE	14372	94406	C5 H11 N O2 SE	196.11	SELENOMETHIONINE
MG	18479	50748	MG 2	24.31	MAGNESIUM ION
SO4	19813	48176	O4 S -2	96.06	SULFATE ION
GOL	13050	30845	C3 H8 O3	92.09	GLYCEROL
ZN	14238	22403	ZN 2	65.41	ZINC ION
EDO	5542	21322	C2 H6 O2	62.07	1,2-ETHANEDIOL
CA	11615	20937	CA 2	40.08	CALCIUM ION
NAG	6326	20273	C8 H15 N O6	221.21	N-ACETYL-D-GLUCOSAMINE
CL	10903	19030	CL -1	35.45	CHLORIDE ION
NA	6459	11062	NA 1	22.99	SODIUM ION
PO4	6025	10739	O4 P -3	94.97	PHOSPHATE ION
HEM	6221	8251	C34 H32 FE N4 O4	616.49	PROTOPORPHYRIN IX CONTAINING FE
ACT	3685	6890	C2 H3 O2 -1	59.04	ACETATE ION
DMS	933	6317	C2 H6 O S	78.13	DIMETHYL SULFOXIDE
MN	3806	6198	MN 2	54.94	MANGANESE (II) ION
K	2638	4121	K 1	39.10	POTASSIUM ION
IOD	656	4050	I -1	126.90	IODIDE ION
FAD	2889	3995	C27 H33 N9 O15 P2	785.55	FLAVIN-ADENINE DINUCLEOTIDE
CD	1348	3703	CD 2	112.41	CADMIUM ION
UNX	599	3587	X	0.00	UNKNOWN ATOM OR ION
MAN	1389	3537	C6 H12 O6	180.16	ALPHA-D-MANNOSE
ADP	2683	3379	C10 H15 N5 O10 P2	427.20	ADENOSINE-5'-DIPHOSPHATE
FE	2322	3329	FE 3	55.85	FE (III) ION
CLA	575	3216	C55 H72 MG N4 O5 2	893.49	CHLOROPHYLL A
NAD	2420	3115	C21 H27 N7 O14 P2	663.42	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
HYP	332	3108	C5 H9 N O3	131.13	4-HYDROXYPROLINE
PEG	1648	3091	C4 H10 O3	106.12	DI(HYDROXYETHYL)ETHER
MPD	1424	2911	C6 H14 O2	118.17	(4S)-2-METHYL-2,4-PENTANEDIOL
CU	1586	2741	CU 2	63.55	COPPER (II) ION
FMT	881	2629	C H2 O2	46.03	FORMIC ACID
MLY	349	2602	C8 H18 N2 O2	174.24	N-DIMETHYL-LYSINE
ACE	2166	2525	C2 H4 O	44.05	ACETYL GROUP
PLP	1405	2104	C8 H10 N O6 P	247.14	PYRIDOXAL-5'-PHOSPHATE
ATP	1483	2034	C10 H16 N5 O13 P3	507.18	ADENOSINE-5'-TRIPHOSPHATE
GLC	664	2020	C6 H12 O6	180.16	ALPHA-D-GLUCOSE
ACY	1028	1970	C2 H4 O2	60.05	ACETIC ACID
BR	400	1944	BR -1	79.90	BROMIDE ION
FE2	1033	1940	FE 2	55.85	FE (II) ION
NAP	1710	1931	C21 H28 N7 O17 P3	743.41	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
BME	1057	1783	C2 H6 O S	78.13	BETA-MERCAPTOETHANOL
FMN	1282	1762	C17 H21 N4 O9 P	456.34	FLAVIN MONONUCLEOTIDE
CL1	123	1736
NH2	1553	1667	H2 N	16.02	AMINO GROUP
NI	1079	1652	NI 2	58.69	NICKEL (II) ION
SR	678	1622	SR 2	87.62	STRONTIUM ION
SF4	1005	1561	FE4 S4	351.64	IRON/SULFUR CLUSTER
PG4	883	1553	C8 H18 O5	194.23	TETRAETHYLENE GLYCOL
GAL	1128	1540	C6 H12 O6	180.16	BETA-D-GALACTOSE
BCR	647	1521	C40 H56	536.87	BETA-CAROTENE
UNL	588	1483		0.00	UNKNOWN LIGAND
TRS	1020	1460	C4 H12 N O3 1	122.14	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
HEC	507	1450	C34 H34 FE N4 O4	618.50	HEME C
MES	1080	1440	C6 H13 N O4 S	195.24	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
HG	606	1423	HG 2	200.59	MERCURY (II) ION
BGC	747	1405	C6 H12 O6	180.16	BETA-D-GLUCOSE
BMA	953	1394	C6 H12 O6	180.16	BETA-D-MANNOSE
LDA	370	1318	C14 H31 N O	229.40	LAURYL DIMETHYLAMINE-N-OXIDE
SEP	985	1312	C3 H8 N O6 P	185.07	PHOSPHOSERINE
CO	699	1253	CO 2	58.93	COBALT (II) ION
BCL	316	1248	C55 H74 MG N4 O6	911.50	BACTERIOCHLOROPHYLL A
GDP	1079	1235	C10 H15 N5 O11 P2	443.20	GUANOSINE-5'-DIPHOSPHATE
COA	758	1192	C21 H36 N7 O16 P3 S	767.53	COENZYME A
NO3	477	1188	N O3 -1	62.01	NITRATE ION
TPO	1035	1166	C4 H10 N O6 P	199.10	PHOSPHOTHREONINE
BOG	499	1154	C14 H28 O6	292.37	B-OCTYLGLUCOSIDE
FUC	845	1144	C6 H12 O5	164.16	ALPHA-L-FUCOSE
EPE	851	1118	C8 H18 N2 O4 S	238.30	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
NDP	947	1107	C21 H30 N7 O17 P3	745.42	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NDG	687	1060	C8 H15 N O6	221.21	2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
IPA	530	1058	C3 H8 O	60.10	ISOPROPYL ALCOHOL
LMT	455	1055	C24 H46 O11	510.61	DODECYL-BETA-D-MALTOSIDE
CIT	757	1046	C6 H8 O7	192.12	CITRIC ACID
FES	880	1038	FE2 S2	175.82	FE2/S2 (INORGANIC) CLUSTER
PTR	775	1025	C9 H12 N O6 P	261.17	O-PHOSPHOTYROSINE
ANP	803	1003	C10 H17 N6 O12 P3	506.20	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
LMG	395	918	C45 H86 O10	787.16	1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE
GTP	698	918	C10 H16 N5 O14 P3	523.18	GUANOSINE-5'-TRIPHOSPHATE
AMP	676	913	C10 H14 N5 O7 P	347.22	ADENOSINE MONOPHOSPHATE
SAH	830	903	C14 H20 N6 O5 S	384.41	S-ADENOSYL-L-HOMOCYSTEINE
IMD	550	902	C3 H5 N2 1	69.08	IMIDAZOLE
PGE	570	869	C6 H14 O4	150.17	TRIETHYLENE GLYCOL
1PE	448	858	C10 H22 O6	238.28	PENTAETHYLENE GLYCOL
MLE	230	840	C7 H15 N O2	145.20	N-METHYLLEUCINE
LLP	535	820	C14 H24 N3 O7 P	377.33	2-LYSINE(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHANE)
CSO	598	808	C3 H7 N O3 S	137.16	S-HYDROXYCYSTEINE
DMF	139	775	C3 H7 N O	73.09	DIMETHYLFORMAMIDE
DGD	381	754	C51 H96 O15	949.30	DIGALACTOSYL DIACYL GLYCEROL (DGDG)
MRD	373	737	C6 H14 O2	118.17	(4R)-2-METHYLPENTANE-2,4-DIOL
KCX	672	725	C7 H14 N2 O4	190.20	LYSINE NZ-CARBOXYLIC ACID
CME	386	712	C5 H11 N O3 S2	197.28	S,S-(2-HYDROXYETHYL)THIOCYSTEINE
TRP	369	680	C11 H12 N2 O2	204.23	TRYPTOPHAN
PCA	567	658	C5 H7 N O3	129.11	PYROGLUTAMIC ACID
EOH	217	624	C2 H6 O	46.07	ETHANOL
CYC	259	624	C33 H40 N4 O6	588.69	PHYCOCYANOBILIN
SQD	421	609	C41 H78 O12 S	795.12	1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL
CDL	423	589	C81 H156 O17 P2 -2	1464.04	CARDIOLIPIN
FLC	430	582	C6 H5 O7 -3	189.10	CITRATE ANION
XYP	207	578	C5 H10 O5	150.13	BETA-D-XYLOPYRANOSE
LHG	252	576	C38 H75 O10 P	722.97	1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE
SIA	392	568	C11 H19 N O9	309.27	O-SIALIC ACID
SCN	305	568	C N S -1	58.08	THIOCYANATE ION
SMC	271	567	C4 H9 N O2 S	135.18	S-METHYLCYSTEINE
DAL	410	551	C3 H7 N O2	89.09	D-ALANINE
PEE	309	547	C41 H83 N O8 P 1	749.08	PHOSPHATIDYLETHANOLAMINE
NCO	236	546	CO H18 N6 3	161.12	COBALT HEXAMMINE(III)
CSD	423	545	C3 H7 N O4 S	153.15	CYSTEINE-S-DIOXIDE
CGU	85	534	C6 H9 N O6	191.14	GAMMA-CARBOXY-GLUTAMIC ACID
UMP	294	519	C9 H13 N2 O8 P	308.18	2'-DEOXYURIDINE 5'-MONOPHOSPHATE
GAI	193	519	C H5 N3	59.07	GUANIDINE
PYR	412	515	C3 H4 O3	88.06	PYRUVIC ACID
PX4	61	511	C36 H73 N O8 P 1	678.94	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
GLA	296	507	C6 H12 O6	180.16	ALPHA D-GALACTOSE
CO3	404	507	C O3 -2	60.01	CARBONATE ION
UDP	482	505	C9 H14 N2 O12 P2	404.16	URIDINE-5'-DIPHOSPHATE
C8E	125	504	C16 H34 O5	306.44	(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
SAM	421	493	C15 H22 N6 O5 S	398.44	S-ADENOSYLMETHIONINE
OLC	75	486	C21 H40 O4	356.54	(2R)-2,3-DIHYDROXYPROPYL (9Z)-OCTADEC-9-ENOATE
CAC	334	471	C2 H6 AS O2 -1	136.99	CACODYLATE ION
URE	113	467	C H4 N2 O	60.06	UREA
FME	365	464	C6 H11 N O3 S	177.22	N-FORMYLMETHIONINE
DIO	215	463	C4 H8 O2	88.11	1,4-DIETHYLENE DIOXIDE
GLU	409	458	C5 H9 N O4	147.13	GLUTAMIC ACID
CMO	440	457	C O	28.01	CARBON MONOXIDE
DLE	101	456	C6 H13 N O2	131.17	D-LEUCINE
TLA	347	446	C4 H6 O6	150.09	L(+)-TARTARIC ACID
XE	150	443	XE	131.29	XENON
TPP	265	439	C12 H19 N4 O7 P2 S 1	425.31	THIAMINE DIPHOSPHATE
IPH	250	435	C6 H6 O	94.11	PHENOL
ABA	227	433	C4 H9 N O2	103.12	ALPHA-AMINOBUTYRIC ACID
ARG	243	432	C6 H15 N4 O2 1	175.21	ARGININE
OXY	408	430	O2	32.00	OXYGEN MOLECULE
PSU	257	421	C9 H13 N2 O9 P	324.18	PSEUDOURIDINE-5'-MONOPHOSPHATE
GSH	253	418	C10 H17 N3 O6 S	307.32	GLUTATHIONE
POP	342	413	H2 O7 P2 -2	175.96	PYROPHOSPHATE 2-
AZI	286	410	N3 -1	42.02	AZIDE ION
BA	125	408	BA 2	137.33	BARIUM ION
10A	5	406	C22 H48 N 1	326.62	DIDECYL-DIMETHYL-AMMONIUM
GNP	360	405	C10 H17 N6 O13 P3	522.20	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
PLM	242	404	C16 H32 O2	256.42	PALMITIC ACID
BEN	272	398	C7 H8 N2	120.15	BENZAMIDINE
TYS	355	396	C9 H11 N O6 S	261.25	O-SULFO-L-TYROSINE
CHD	187	396	C24 H40 O5	408.57	CHOLIC ACID
BPH	201	393	C55 H76 N4 O6	889.22	BACTERIOPHEOPHYTIN A
MYR	211	387	C14 H28 O2	228.37	MYRISTIC ACID
GLY	202	379	C2 H5 N O2	75.07	GLYCINE
SUC	280	378	C12 H22 O11	342.30	SUCROSE
M3L	347	372	C9 H21 N2 O2 1	189.27	N-TRIMETHYLLYSINE
CS	122	367	CS 1	132.90	CESIUM ION
CU1	262	359	CU 1	63.55	COPPER (I) ION
U10	233	358	C59 H90 O4	863.34	UBIQUINONE-10
H4B	217	356	C9 H15 N5 O3	241.25	5,6,7,8-TETRAHYDROBIOPTERIN
CAP	201	353	C6 H14 O13 P2	356.11	2-CARBOXYARABINITOL-1,5-DIPHOSPHATE
DTT	238	344	C4 H10 O2 S2	154.25	2,3-DIHYDROXY-1,4-DITHIOBUTANE
ACO	235	338	C23 H38 N7 O17 P3 S	809.57	ACETYL COENZYME *A
SIN	198	337	C4 H6 O4	118.09	SUCCINIC ACID
PGO	117	327	C3 H8 O2	76.09	S-1,2-PROPANEDIOL
LFA	34	321	C20 H42	282.55	EICOSANE
14A	1	314	C19 H27 CL N4 O3	394.90	N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE
P6G	236	313	C12 H26 O7	282.33	HEXAETHYLENE GLYCOL
GTT	183	313
PL9	220	312	C53 H80 O2	749.20	2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE
IUM	65	310	O2 U 2	270.03	URANYL (VI) ION
MLI	194	306	C3 H2 O4 -2	102.05	MALONATE ION
RCO	149	303	C6 H6 O2	110.11	RESORCINOL
MME	164	296	C6 H13 N O2 S	163.24	N-METHYL METHIONINE
DMU	177	296	C22 H42 O11	482.56	DECYL-BETA-D-MALTOPYRANOSIDE
CMP	155	293	C10 H12 N5 O6 P	329.21	ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
12A	4	292	C16 H23 N6 O11 P S	538.43	2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE
AKG	233	289	C5 H6 O5	146.10	2-OXOGLUTARIC ACID
PGV	162	281	C40 H77 O10 P	749.01	(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE
SAR	222	278	C3 H7 N O2	89.09	SARCOSINE
NAI	224	278	C21 H29 N7 O14 P2	665.44	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
LI1	31	277	C42 H86 O3	639.13	1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
BCT	237	274	C H O3 -1	61.02	BICARBONATE ION
TL	68	272	TL 1	204.38	THALLIUM (I) ION
ALY	216	269	C8 H16 N2 O3	188.22	N(6)-ACETYLLYSINE
16A	6	269	C19 H42 N 1	284.54	CETYL-TRIMETHYL-AMMONIUM
10B	3	269	C17 H20 N2 O5 S	364.42	N-2-(BIPHENYL-4-YLSULFONYL)-N-2-(ISOPROPYLOXY)-ACETOHYDROXAMIC ACID
17A	3	265	C26 H31 N2 O6 P S	530.57	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
CYN	240	263	C N -1	26.02	CYANIDE ION
OXL	182	255	C2 O4 -2	88.02	OXALATE ION
NH4	177	255	H4 N 1	18.04	AMMONIUM ION
RET	248	250	C20 H28 O	284.44	RETINAL
20A	1	250	C21 H25 N5 O2	379.46	1-ETHYL-N-(PHENYLMETHYL)-4-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE
14B	4	250	C9 H11 N O2	165.19	2-AMINO-3,5-DIMETHYLBENZOIC ACID
CSX	172	245	C3 H7 N O3 S	137.16	S-OXY CYSTEINE
FUL	187	240	C6 H12 O5	164.16	BETA-L-FUCOSE
BNG	54	240	C15 H30 O6	306.39	B-NONYLGLUCOSIDE
F3S	231	236	FE3 S4	295.80	FE3-S4 CLUSTER
DVA	88	236	C5 H11 N O2	117.15	D-VALINE
15A	2	236	C8 H17 N3 O4	219.24	(2Z,3R,4S,5R,6R)-2-[(2-AMINOETHYL)IMINO]-6-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
OCS	202	235	C3 H7 N O5 S	169.15	CYSTEINESULFONIC ACID
U5P	151	233	C9 H13 N2 O9 P	324.18	URIDINE-5'-MONOPHOSPHATE
BTN	163	233	C10 H16 N2 O3 S	244.31	BIOTIN
22A	1	233	C10 H14 N4 O3	238.24	7-({[2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
MLA	146	228	C3 H4 O4	104.06	MALONIC ACID
HEZ	93	228	C6 H14 O2	118.17	HEXANE-1,6-DIOL
DTP	159	227	C10 H16 N5 O12 P3	491.18	2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
CSW	186	224
BEZ	151	223	C7 H6 O2	122.12	BENZOIC ACID
NLE	148	222	C6 H13 N O2	131.17	NORLEUCINE
A2G	157	222	C8 H15 N O6	221.21	N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE
LYS	163	220	C6 H15 N2 O2 1	147.20	LYSINE
95A	6	220
NO2	126	219	N O2 -1	46.01	NITRITE ION
PHE	167	218	C9 H11 N O2	165.19	PHENYLALANINE
MDO	99	215	C8 H13 N3 O3	197.19	{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID
PT	103	213	PT 2	195.08	PLATINUM (II) ION
TAR	151	212	C4 H6 O6	150.09	D(-)-TARTARIC ACID
DUR	87	212	C9 H12 N2 O5	228.20	2'-DEOXYURIDINE
YCM	116	211	C5 H10 N2 O3 S	178.21	S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
BEF	191	211	BE F3 -1	66.01	BERYLLIUM TRIFLUORIDE ION
5GP	149	210	C10 H14 N5 O8 P	363.22	GUANOSINE-5'-MONOPHOSPHATE
IDS	72	209	C6 H10 O10 S	274.20	2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID
23A	4	209	C7 H6 O3	138.12	2,3-DIHYDROXYBENZALDEHYDE
TYD	145	207	C10 H16 N2 O11 P2	402.19	THYMIDINE-5'-DIPHOSPHATE
19A	1	207	C16 H16 N4 O	280.32	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
PEK	96	204	C43 H78 N O8 P	768.05	(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE
82A	1	201	C22 H17 CL2 F N4 O2	459.30	(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
TGL	108	198	C57 H110 O6	891.48	TRISTEAROYLGLYCEROL
25A	1	197	C30 H38 N15 O19 P3	1005.63	5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
TTP	129	196	C10 H17 N2 O14 P3	482.17	THYMIDINE-5'-TRIPHOSPHATE
16B	2	196	C9 H14 N3 O9 P	339.20	N-HYDROXYCYTIDINE 5'-(DIHYDROGEN PHOSPHATE)
11B	3	196	C23 H31 N4 O7 P	506.49	(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
BTB	150	195	C8 H19 N O5	209.24	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
MOH	40	193	C H4 O	32.04	METHANOL
PMP	120	192	C8 H13 N2 O5 P	248.17	4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
38A	4	192
BMP	97	191	C9 H13 N2 O10 P	340.18	6-HYDROXYURIDINE-5'-PHOSPHATE
75A	1	191	C24 H28 F2 I N4 O7 P	680.38	N-ACETYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANYL-N~5~-(3-IODOBENZOYL)-L-ORNITHINAMIDE
H2U	86	190	C9 H15 N2 O9 P	326.20	5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE
81A	1	189	C20 H25 N3 O7 S2	483.56	2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER
MMA	145	188	C7 H14 O6	194.18	O1-METHYL-MANNOSE
HIS	116	188	C6 H10 N3 O2 1	156.16	HISTIDINE
CAS	70	188	C5 H12 AS N O2 S	225.14	S-(DIMETHYLARSENIC)CYSTEINE
76A	1	188	C29 H27 N3 O3	465.54	3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE
32A	1	188	C13 H17 N3 O2 S	279.36	2-[(5-HEX-1-YN-1-YLFURAN-2-YL)CARBONYL]-N-METHYLHYDRAZINECARBOTHIOAMIDE
ADN	155	187	C10 H13 N5 O4	267.24	ADENOSINE
12B	2	187	C11 H7 N O	169.18	BENZO[CD]INDOL-2(1H)-ONE
27A	1	186	C13 H19 N5 S	277.39	(Z)-2-[2-(4-METHYLPIPERAZIN-1-YL)BENZYL]DIAZENECARBOTHIOAMIDE
SO3	128	185	O3 S -2	80.06	SULFITE ION
F6P	111	185	C6 H13 O9 P	260.14	FRUCTOSE-6-PHOSPHATE
24A	2	185	C20 H28 N6 O5 P2	494.42	{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
MAL	142	184	C12 H22 O11	342.30	MALTOSE
78A	1	184	C22 H29 N3 O6	431.48	N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
XYS	91	183	C5 H10 O5	150.13	XYLOPYRANOSE
APC	137	182	C11 H18 N5 O12 P3	505.21	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
ALF	136	182	AL F4 -1	102.97	TETRAFLUOROALUMINATE ION
ASP	124	181	C4 H7 N O4	133.10	ASPARTIC ACID
NGA	146	180	C8 H15 N O6	221.21	N-ACETYL-D-GALACTOSAMINE
DGT	108	180	C10 H16 N5 O13 P3	507.18	2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
35A	1	180	C24 H33 N3 O4 S	459.60	N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE
29A	1	180	C21 H18 CL F2 N3 O4	449.83	3-{5-CHLORO-4-[(2,4-DIFLUOROBENZYL)OXY]-6-OXOPYRIMIDIN-1(6H)-YL}-N-(2-HYDROXYETHYL)-4-METHYLBENZAMIDE
26B	2	180	C29 H35 N3 O5	505.61	O-TERT-BUTYL-N-[(3-{[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]AMINO}NAPHTHALEN-2-YL)CARBONYL]-L-THREONINE
AU	89	179	AU 1	196.97	GOLD ION
34A	1	179	C8 H11 N	121.18	3,4-DIMETHYLANILINE
DPN	176	178	C9 H11 N O2	165.19	D-PHENYLALANINE
B12	137	178	C62 H89 CO N13 O14 P 2	1330.36	COBALAMIN
22B	30	178	C50 H76 O4	741.14	BACTERIORUBERIN
TFP	31	177	C21 H24 F3 N3 S	407.50	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
PEP	163	177	C3 H5 O6 P	168.04	PHOSPHOENOLPYRUVATE
HEA	122	177	C49 H56 FE N4 O6	852.84	HEME-A
HTG	89	176	C13 H26 O5 S	294.41	HEPTYL 1-THIOHEXOPYRANOSIDE
20B	4	176	C15 H10 O3	238.24	2-(3-HYDROXYPHENYL)-4H-CHROMEN-4-ONE
HED	140	174	C4 H10 O2 S2	154.25	2-HYDROXYETHYL DISULFIDE
36A	1	174	C21 H25 CL N6 O5 S	508.98	(S)-2-AMINO-4-(((2S,3S,4R,5R)-5-(6-(3-CHLOROBENZYLAMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYLTHIO)BUTANOIC ACID
AIB	63	173	C4 H9 N O2	103.12	ALPHA-AMINOISOBUTYRIC ACID
PHO	86	172	C55 H74 N4 O5	871.20	PHEOPHYTIN A
85A	2	172	C23 H22 CL N7 O3	479.92	18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE
77A	1	171	C17 H22 CL N5 O3	379.84	1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA
WO4	100	170	O4 W -2	247.84	TUNGSTATE(VI)ION
FRU	94	169	C6 H12 O6	180.16	FRUCTOSE
86A	3	169	C22 H29 N4 O6 P	476.46	(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID
5MU	157	169	C10 H15 N2 O9 P	338.21	5-METHYLURIDINE 5'-MONOPHOSPHATE
F09	77	168	C9 H20 O	144.25	NONAN-1-OL
5BU	89	166	C9 H12 BR N2 O9 P	403.08	5-BROMO-URIDINE-5'-MONOPHOSPHATE
DGL	147	163	C5 H9 N O4	147.13	D-GLUTAMIC ACID
ACP	139	163	C11 H18 N5 O12 P3	505.21	PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
99A	2	163	C30 H33 N5 O3	511.62	N-{(3-ENDO)-8-[5-(BENZYLCARBAMOYL)PYRIDIN-2-YL]-8-AZABICYCLO[3.2.1]OCT-3-YL}-2,5-DIMETHYLBENZENE-1,4-DICARBOXAMIDE
TRD	34	162	C13 H28	184.36	TRIDECANE
HTO	81	162	C7 H16 O3	148.20	HEPTANE-1,2,3-TRIOL
46A	2	162	C24 H27 N7	413.52	N-BUTYL-4,6-DIMETHYL-N-{[2'-(2H-TETRAZOL-5-YL)BIPHENYL-4-YL]METHYL}PYRIMIDIN-2-AMINE
21B	1	162	C19 H21 N	263.38	NORTRIPTYLINE
53A	1	161	C18 H20 N4 O5 S	404.44	ETHYL 5-{[(1R)-1-(ETHOXYCARBONYL)-2-OXOPROPYL]SULFANYL}-1,2-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE
31B	5	161
C2E	70	160	C20 H24 N10 O14 P2	690.41	9,9'-[(2R,3R,3AS,5S,7AR,9R,10R,10AS,12S,14AR)-3,5,10,12-TETRAHYDROXY-5,12-DIOXIDOOCTAHYDRO-2H,7H-DIFURO[3,2-D:3',2'-J][1,3,7,9,2,8]TETRAOXADIPHOSPHACYCLODODECINE-2,9-DIYL]BIS(2-AMINO-1,9-DIHYDRO-6H-PURIN-6-ONE)
56A	12	160	C20 H29 N3 O2	343.46	3-(8-PHENYLOCTYL)-L-HISTIDINE
NHE	100	159	C8 H17 N O3 S	207.29	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
CTP	123	159	C9 H16 N3 O14 P3	483.16	CYTIDINE-5'-TRIPHOSPHATE
74A	2	158	C35 H42 F2 N4 O4	620.73	N'-{(1S,2S)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R)-4-(PHENYLCARBONYL)PIPERAZIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE
59A	1	158	C12 H19 N O6	273.28	N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE
49A	1	158	C11 H19 N3 O6	289.29	4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
MGD	80	157	C20 H26 N10 O13 P2 S2	740.56	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
BMT	140	157	C10 H19 N O3	201.26	4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
17B	2	157	C10 H21 N3 O4	247.29	(2Z,3R,4S,5R,6R)-2-[(4-AMINOBUTYL)IMINO]-6-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
5MC	115	156	C10 H16 N3 O8 P	337.22	5-METHYLCYTIDINE-5'-MONOPHOSPHATE
10C	4	155	C10 H14 N3 O8 P	335.21	4-AMINO-1-{2,5-ANHYDRO-4-[(PHOSPHONOOXY)METHYL]-ALPHA-L-LYXOFURANOSYL}PYRIMIDIN-2(1H)-ONE
SRT	90	154	C4 H6 O6	150.09	S,R MESO-TARTARIC ACID
PB	70	154	PB 2	207.20	LEAD (II) ION
CHT	43	153	C5 H14 N O 1	104.17	CHOLINE ION
CAA	89	153	C25 H40 N7 O18 P3 S	851.61	ACETOACETYL-COENZYME A
33A	2	153	C21 H17 CL N4 O	376.84	N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
32B	2	153	C27 H30 CL N3 O6	528.00	2-(3-CHLOROPHENOXY)-3-METHOXY-4-{(1R)-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]PROPYL}BENZOIC ACID
NRQ	150	150	C16 H17 N3 O4 S	347.39	{(4Z)-4-(4-HYDROXYBENZYLIDENE)-2-[3-(METHYLTHIO)PROPANIMIDOYL]-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
27B	2	150	C11 H7 BR O2	251.08	1-BROMONAPHTHALENE-2-CARBOXYLIC ACID
62A	1	149	C22 H26 N8 O3 S	482.56	2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE
INI	73	148	C9 H14 N4 O8	306.23	5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
GLN	105	148	C5 H10 N2 O3	146.14	GLUTAMINE
C5P	101	148	C9 H14 N3 O8 P	323.20	CYTIDINE-5'-MONOPHOSPHATE
KDO	108	147	C8 H14 O8	238.19	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID
B3L	46	147	C7 H15 N O2	145.20	(3S)-3-AMINO-5-METHYLHEXANOIC ACID
41A	1	145	C13 H18 N2 O2 S	266.36	5,5-DIMETHYL-2-MORPHOLIN-4-YL-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE
UMQ	73	144	C23 H44 O11	496.59	UNDECYL-MALTOSIDE
RAM	75	144	C6 H12 O5	164.16	ALPHA-L-RHAMNOSE
PCW	14	143	C44 H85 N O8 P 1	787.12	1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
80A	1	143	C18 H22 N2 O2	298.38	(R)-PYRIDIN-4-YL[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]METHANOL
19B	1	143	C30 H32 N4 O3	496.60	4-METHYL-N-(3-MORPHOLIN-4-YLPHENYL)-3-(3-PIPERIDIN-4-YL-1,2-BENZISOXAZOL-6-YL)BENZAMIDE
PEO	77	142	H2 O2	34.01	HYDROGEN PEROXIDE
ORN	114	142	C5 H12 N2 O2	132.16	L-ORNITHINE
52A	2	142	C6 H10 N2 O4	174.15	(2R,4R)-4-AMINOPYRROLIDINE-2,4-DICARBOXYLIC ACID
YB	72	141	YB 3	173.04	YTTERBIUM (III) ION
MPG	33	141	C21 H40 O4	356.54	1-MONOOLEOYL-RAC-GLYCEROL
APR	119	141	C15 H23 N5 O14 P2	559.32	ADENOSINE-5-DIPHOSPHORIBOSE
AGS	106	140	C10 H16 N5 O12 P3 S	523.25	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
SGN	58	139	C6 H13 N O11 S2	339.30	N,O6-DISULFO-GLUCOSAMINE
POV	2	139	C42 H82 N O8 P	760.08	(2S)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE
2CV	20	139	C18 H37 N O7	379.49	HEGA-10
2AN	47	139	C16 H13 N O3 S	299.34	8-ANILINO-1-NAPHTHALENE SULFONATE
UPG	109	138	C15 H24 N2 O17 P2	566.30	URIDINE-5'-DIPHOSPHATE-GLUCOSE
PHQ	127	138	C8 H7 CL O2	170.59	BENZYL CHLOROCARBONATE
2PE	92	138	C18 H38 O10	414.49	NONAETHYLENE GLYCOL
OH	112	137	H O -1	17.01	HYDROXIDE ION
NO	120	135	N O	30.01	NITRIC OXIDE
25B	2	135	C27 H34 CL N O4 S	504.08	(1R,2R)-2-[(4-CHLOROPHENYL)CARBONYL]-N-{(1S)-1-[2-(PHENYLSULFONYL)ETHYL]PENTYL}CYCLOHEXANECARBOXAMIDE
THM	87	134	C10 H14 N2 O5	242.23	THYMIDINE
MLZ	101	134	C7 H16 N2 O2	160.21	N-METHYL-LYSINE
CXS	78	134	C9 H19 N O3 S	221.32	3-CYCLOHEXYL-1-PROPYLSULFONIC ACID
LEU	110	133	C6 H13 N O2	131.17	LEUCINE
ADE	120	133	C5 H5 N5	135.13	ADENINE
SRM	88	132	C42 H42 FE N4 O16	914.65	SIROHEME
43A	1	132	C20 H16 N2 O3	332.35	(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE
24B	2	132	C7 H6 F2 O	144.12	(2,4-DIFLUOROPHENYL)METHANOL
MET	93	131	C5 H11 N O2 S	149.21	METHIONINE
DOC	129	131	C9 H14 N3 O6 P	291.20	2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE
URA	93	130	C4 H4 N2 O2	112.09	URACIL
PGA	108	130	C2 H5 O6 P	156.03	2-PHOSPHOGLYCOLIC ACID
P3S	68	130	C5 H13 N2 O6 P S	260.20	L-METHIONINE-S-SULFOXIMINE PHOSPHATE
GTX	67	130	C16 H30 N3 O6 S 1	392.49	S-HEXYLGLUTATHIONE
77B	1	130	C29 H35 N3 O6	521.60	BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
TDP	97	129	C12 H18 N4 O7 P2 S	424.31	THIAMIN DIPHOSPHATE
MVA	116	129	C6 H13 N O2	131.17	N-METHYLVALINE
DPV	32	129	C17 H38 N O4 P	351.46	DODECYL 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE
CHL	16	129	C55 H70 MG N4 O6 2	907.47	CHLOROPHYLL B
BRU	85	129	C9 H12 BR N2 O8 P	387.08	5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
65B	8	129	C20 H15 BR N6 O	435.28	4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
STA	79	128	C8 H17 N O3	175.23	STATINE
DPR	107	128	C5 H9 N O2	115.13	D-PROLINE
BLA	92	128	C33 H34 N4 O6	582.65	BILIVERDINE IX ALPHA
8OG	126	128	C10 H14 N5 O8 P	363.22	8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
42B	2	128	C4 H9 N O3	119.12	4-AMINO-2-HYDROXYBUTANOIC ACID
35B	1	127	C21 H23 BR N2 O6 S	511.39	4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[CYCLOHEXYL(METHYLCARBAMOYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID
TPQ	126	126	C9 H9 N O5	211.17	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-1,4-BENZOQUINONE
CPS	60	126	C32 H58 N2 O7 S	614.88	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
BCB	32	126	C55 H72 MG N4 O6 2	909.49	BACTERIOCHLOROPHYLL B
2HP	46	126	H2 O4 P -1	96.99	DIHYDROGENPHOSPHATE ION
29B	1	126	C14 H10 F N3	239.25	4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE
82B	1	125	C26 H30 BR N7 O2	552.47	3'-{[(4-BROMO-1-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO}-N-[(1S)-1-PHENYL-2-(PYRROLIDIN-1-YL)ETHYL]-1',4'-DIHYDRO-5'H-SPIRO[CYCLOPROPANE-1,6'-PYRROLO[3,4-C]PYRAZOLE]-5'-CARBOXAMIDE
15P	62	125	C69 H140 O35	1529.83	POLYETHYLENE GLYCOL (N=34)
VO4	109	124	O4 V -3	114.94	VANADATE ION
39A	2	124	C7 H10 N5 1	164.19	6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM
CXE	11	123	C20 H42 O6	378.54	PENTAETHYLENE GLYCOL MONODECYL ETHER
CDP	97	122	C9 H15 N3 O11 P2	403.18	CYTIDINE-5'-DIPHOSPHATE
BIL	33	121	C7 H15 N O2	145.20	(3R,4S)-3-AMINO-4-METHYLHEXANOIC ACID
PE4	94	120	C16 H34 O8	354.44	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
97B	3	120	C30 H25 CL F2 N6 O	559.01	9-CHLORO-7-(2,6-DIFLUOROPHENYL)-N-{4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-AMINE
72B	1	120	C27 H29 F N5 O3 RU S4	719.88	[(AMINO-KAPPAN)METHANETHIOLATO](3-FLUORO-9-METHOXYPYRIDO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H,12H)-DIONATO-KAPPA~2~N,N')(N-METHYL-1,4,7-TRITHIECAN-9-AMINE-KAPPA~3~S~1~,S~4~,S~7~)RUTHENIUM
40B	2	120	C19 H18 O7 P2	420.29	[HYDROXY(1,1':3',1''-TERPHENYL-3-YL)METHANEDIYL]BIS(PHOSPHONIC ACID)
FBP	105	118	C6 H14 O12 P2	340.12	BETA-FRUCTOSE-1,6-DIPHOSPHATE
DAO	85	118	C12 H24 O2	200.32	LAURIC ACID
ALA	110	118	C3 H7 N O2	89.09	ALANINE
PHB	93	117	C7 H6 O3	138.12	P-HYDROXYBENZOIC ACID
CRO	117	117	C15 H17 N3 O5	319.31	{2-[(1R,2R)-1-AMINO-2-HYDROXYPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
LMU	58	116	C24 H46 O11	510.61	DODECYL-ALPHA-D-MALTOSIDE
IMP	100	116	C10 H13 N4 O8 P	348.21	INOSINIC ACID
91B	1	116	C12 H19 N3	205.30	1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE
44B	4	116	C11 H8 F9 N O	341.17	1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL
13P	107	116	C3 H7 O6 P	170.06	1,3-DIHYDROXYACETONEPHOSPHATE
46B	6	115	C19 H20 BR N3 O3	418.29	{4-[6-BROMO-3-(BUTYLAMINO)IMIDAZO[1,2-A]PYRIDIN-2-YL]PHENOXY}ACETIC ACID
CYS	88	114	C3 H7 N O2 S	121.16	CYSTEINE
A3P	106	114	C10 H15 N5 O10 P2	427.20	ADENOSINE-3'-5'-DIPHOSPHATE
MAA	113	113	C4 H9 N O2	103.12	N-METHYL-L-ALANINE
CSS	99	113	C3 H7 N O2 S2	153.22	S-MERCAPTOCYSTEINE
AG	36	113	AG 1	107.87	SILVER ION
MP8	112	112	C6 H11 N O2	129.16	(4R)-4-METHYL-L-PROLINE
MLT	95	112	C4 H6 O5	134.09	MALATE ION
HDD	60	112	C34 H32 FE N4 O5	632.49	CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE
ADA	30	112	C6 H10 O7	194.14	ALPHA-D-GALACTOPYRANURONIC ACID
18B	1	112	C33 H36 N4 O6	584.66	3-[2-[(Z)-[3-(2-CARBOXYETHYL)-5-[(Z)-(3-ETHENYL-4-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-PYRROL-2-YLIDENE]METHYL]-5-[(Z)-(4-ETHYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID
11C	2	112	C6 H11 N O4	161.16	(2R)-2-AMINOHEXANEDIOIC ACID
7MG	106	111	C11 H18 N5 O8 P	379.26	7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE
OLA	68	110	C18 H34 O2	282.46	OLEIC ACID
GSP	99	110	C10 H16 N5 O13 P3 S	539.25	5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
AF3	107	110	AL F3	83.98	ALUMINUM FLUORIDE
SAC	80	109	C5 H9 N O4	147.13	N-ACETYL-SERINE
3PG	88	109	C3 H7 O7 P	186.06	3-PHOSPHOGLYCERIC ACID
MGM	108	108	C19 H37 N O7 P2	453.45	2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE
MEA	62	108	C10 H13 N O2	179.22	N-METHYLPHENYLALANINE
LAT	95	108	C12 H22 O11	342.30	BETA-LACTOSE
99B	2	108	C29 H37 N5 O3	503.64	5-[(2R)-BUTAN-2-YLAMINO]-N-{(3-ENDO)-8-[5-(CYCLOPROPYLCARBONYL)PYRIDIN-2-YL]-8-AZABICYCLO[3.2.1]OCT-3-YL}-2-METHYLBENZENE-1,4-DICARBOXAMIDE
UD1	97	107	C17 H27 N3 O17 P2	607.35	URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
RBF	64	107	C17 H20 N4 O6	376.36	RIBOFLAVIN
FEO	100	107	FE2 O	127.69	MU-OXO-DIIRON
YT3	69	106	Y 3	88.91	YTTRIUM (III) ION
SER	88	106	C3 H7 N O3	105.09	SERINE
PLC	61	106	C32 H65 N O8 P 1	622.83	DIUNDECYL PHOSPHATIDYL CHOLINE
OCT	47	106	C8 H18	114.23	N-OCTANE
CRS	52	106	C7 H8 O	108.14	M-CRESOL
73B	1	106	C25 H23 CL N2 O3	434.92	4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO]-2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL]BENZOIC ACID
WFP	70	105	C9 H9 F2 N O2	201.17	3,5-DIFLUORO-L-PHENYLALANINE
OTT	70	105	C8 H10 O2	138.16	(2E,4E,6E)-OCTA-2,4,6-TRIENOIC ACID
JHM	20	105	C6 H12 O8 S	244.22	2-DEOXY-6-O-SULFO-ALPHA-D-ARABINO-HEXOPYRANOSE
HIC	92	105	C7 H11 N3 O2	169.18	4-METHYL-HISTIDINE
HC4	69	105	C9 H8 O3	164.16	4'-HYDROXYCINNAMIC ACID
AHR	41	105	C5 H10 O5	150.13	ALPHA-L-ARABINOFURANOSE
63C	1	105	C26 H25 CL F N5 O4	525.96	(3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
14C	2	105	C14 H9 CL N2 O2	272.69	2-(2-CHLOROPYRIDIN-4-YL)-4-METHYL-1H-ISOINDOLE-1,3(2H)-DIONE
URI	63	104	C9 H12 N2 O6	244.20	URIDINE
MTX	92	104	C20 H22 N8 O5	454.44	METHOTREXATE
IPT	69	104	C9 H18 O5 S	238.30	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE
GUN	75	104	C5 H5 N5 O	151.13	GUANINE
30B	4	104	C38 H47 N5 O7 S2	749.94	(2R,3AR,10Z,11AS,12AR,14AR)-N-(CYCLOPROPYLSULFONYL)-2-({7-METHOXY-8-METHYL-2-[4-(1-METHYLETHYL)-1,3-THIAZOL-2-YL]QUINOLIN-4-YL}OXY)-5-METHYL-4,14-DIOXO-2,3,3A,4,5,6,7,8,9,11A,12,13,14,14A-TETRADECAHYDROCYCLOPENTA[C]CYCLOPROPA[G][1,6]DIAZACYCLOTETRADECINE-12A(1H)-CARBOXAMIDE
TAM	83	103	C7 H17 N O3	163.21	TRIS(HYDROXYETHYL)AMINOMETHANE
MIA	92	103	C16 H26 N5 O7 P S	463.45	2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
DCP	85	103	C9 H16 N3 O13 P3	467.16	2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
3DR	89	103	C5 H11 O6 P	198.11	1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
14D	1	103	C24 H24 F3 N3 O3	459.46	5-METHYL-1-[(3S)-1-{3-[3-(TRIFLUOROMETHYL)PHENOXY]BENZYL}PIPERIDIN-3-YL]PYRIMIDINE-2,4(1H,3H)-DIONE
DUT	50	102	C9 H15 N2 O14 P3	468.14	DEOXYURIDINE-5'-TRIPHOSPHATE
U	54	101	C9 H13 N2 O9 P	324.18	URIDINE-5'-MONOPHOSPHATE
TYR	92	101	C9 H11 N O3	181.19	TYROSINE
PRP	85	101	C5 H13 O14 P3	390.07	ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID
MTE	101	101	C10 H14 N5 O6 P S2	395.35	PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
16D	19	101	C6 H16 N2	116.21	HEXANE-1,6-DIAMINE
PE5	43	100	C18 H38 O9	398.49	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL
48B	1	100	C23 H17 CL F N5 O2	449.86	2-CHLORO-N-[4-({5-FLUORO-2-[(4-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENYL]BENZAMIDE
16C	3	100	C34 H67 N O3	537.90	N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE
SAL	63	99	C7 H6 O3	138.12	2-HYDROXYBENZOIC ACID
IPE	79	99	C5 H12 O7 P2	246.09	3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE
CRQ	99	99	C16 H16 N4 O5	344.32	[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
52B	4	99	C11 H5 CL2 F3 O3	313.06	(2S)-6,8-DICHLORO-2-(TRIFLUOROMETHYL)-2H-CHROMENE-3-CARBOXYLIC ACID
1PG	79	99	C11 H24 O6	252.30	2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
RB	44	98	RB 1	85.47	RUBIDIUM ION
CXM	98	98	C6 H11 N O4 S	193.22	N-CARBOXYMETHIONINE
45B	3	98	C31 H29 CL F N7 O3	602.06	4-{[2-({4-[2-(4-ACETYLPIPERAZIN-1-YL)-2-OXOETHYL]PHENYL}AMINO)-5-FLUOROPYRIMIDIN-4-YL]AMINO}-N-(2-CHLOROPHENYL)BENZAMIDE
11D	6	98	C23 H34 N2 O4 S	434.59	11-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)UNDECANOIC ACID
VAL	90	97	C5 H11 N O2	117.15	VALINE
TRE	59	97	C12 H22 O11	342.30	TREHALOSE
TMP	80	97	C10 H15 N2 O8 P	322.21	THYMIDINE-5'-PHOSPHATE
F43	72	96	C42 H49 N6 NI O13	904.56	FACTOR 430
UNK	44	95	C4 H9 N O2	103.12	UNKNOWN
SMA	95	95	C30 H42 O7	514.65	STIGMATELLIN A
P33	74	95	C14 H30 O8	326.38	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL
OGA	94	95	C4 H5 N O5	147.09	N-OXALYLGLYCINE
GSW	55	95
DHB	77	95	C7 H6 O4	154.12	3,4-DIHYDROXYBENZOIC ACID
B3P	72	95	C11 H26 N2 O6	282.33	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
ARF	24	95	C H3 N O	45.04	FORMAMIDE
MTA	76	94	C11 H15 N5 O3 S	297.33	5'-DEOXY-5'-METHYLTHIOADENOSINE
12P	55	94	C24 H50 O13	546.65	DODECAETHYLENE GLYCOL
12C	1	94	C23 H22 CL N5 O	419.91	4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE
MGE	44	93	C38 H72 O10	688.97	(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
HCA	93	93	C7 H10 O7	206.15	3-HYDROXY-3-CARBOXY-ADIPIC ACID
DUP	51	93	C9 H16 N3 O13 P3	467.16	2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE
CB3	81	93	C24 H23 N5 O6	477.47	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID
ALC	85	93	C9 H17 N O2	171.24	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID
17C	6	93	C14 H11 N O4	257.24	2,2'-IMINODIBENZOIC ACID
PC1	49	92	C44 H88 N O8 P	790.15	1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE
OMC	87	92	C10 H16 N3 O8 P	337.22	O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
IT1	62	92	C14 H22 N3 O7 P	375.31	(2S)-2-AMINO-6-[[3-HYDROXY-2-METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-4-YL]METHYLIDENEAMINO]HEXANOIC ACID
5IU	39	92	C9 H12 I N2 O8 P	434.08	5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
HEX	32	91	C6 H14	86.18	HEXANE
HBI	59	91	C9 H13 N5 O3	239.23	7,8-DIHYDROBIOPTERIN
DSN	71	91	C3 H7 N O3	105.09	D-SERINE
33B	2	91	C16 H14 CL2 N4 O8 S2	525.34	3,3'-(E)-DIAZENE-1,2-DIYLBIS{6-[(CHLOROACETYL)AMINO]BENZENESULFONIC ACID}
20C	1	91	C16 H11 N O5	297.26	2-HYDROXY-4-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BENZOIC ACID
18C	3	91	C36 H71 N O3	565.95	N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE
O	71	90	O	16.00	OXYGEN ATOM
MEN	90	90	C5 H10 N2 O3	146.14	N-METHYL ASPARAGINE
DCY	60	90	C3 H7 N O2 S	121.16	D-CYSTEINE
BOC	84	90	C5 H10 O3	118.13	TERT-BUTYL HYDROGEN CARBONATE
IRI	10	89	H18 IR N6 3	294.40	IRIDIUM HEXAMMINE ION
COM	80	89	C2 H6 O3 S2	142.20	1-THIOETHANESULFONIC ACID
43B	4	89	C36 H30 N4 O5 S3	694.84	3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
UFP	52	88	C9 H12 F N2 O8 P	326.17	5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
DTR	53	88	C11 H12 N2 O2	204.23	D-TRYPTOPHAN
CBI	73	88	C12 H22 O11	342.30	CELLOBIOSE
ASA	88	88	C4 H7 N O3	117.10	ASPARTIC ALDEHYDE
TBU	50	87	C4 H10 O	74.12	TERTIARY-BUTYL ALCOHOL
MPO	72	87	C7 H15 N O4 S	209.26	3[N-MORPHOLINO]PROPANE SULFONIC ACID
LMZ	40	87	C9 H14 N4 O7	290.23	5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
GCP	74	87	C11 H18 N5 O13 P3	521.21	PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
CR2	87	87	C13 H13 N3 O4	275.26	{(4Z)-2-(AMINOMETHYL)-4-[(4-HYDROXYPHENYL)METHYLIDENE]-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
BU3	35	87	C4 H10 O2	90.12	(R,R)-2,3-BUTANEDIOL
P4C	52	86	C14 H28 O8	324.37	O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL
CLF	86	86	FE8 S7	671.22	FE(8)-S(7) CLUSTER
20D	8	86	C15 H9 F O2	240.23	2-(4-FLUOROPHENYL)-4H-CHROMEN-4-ONE
RG1	30	85	C46 H66 O6	715.01	RHODOPIN GLUCOSIDE
SFG	78	84	C15 H23 N7 O5	381.39	SINEFUNGIN
PEB	31	84	C33 H40 N4 O6	588.69	PHYCOERYTHROBILIN
BU1	42	84	C4 H10 O2	90.12	1,4-BUTANEDIOL
1MA	76	84	C11 H16 N5 O7 P	361.25	6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE
08T	48	84	C10 H14 BE F3 N5 O10 P2	492.20	[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL]OXY-OXIDANYL-PHOSPHORYL]OXY-TRIS(FLUORANYL)BERYLLIUM
ZIL	28	83	C20 H30 N2 O5	378.46	N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine
UP6	47	83	C8 H12 N3 O9 P	325.17	6-AZA URIDINE 5'-MONOPHOSPHATE
SM	44	83	SM 3	150.36	SAMARIUM (III) ION
OPC	58	83	C45 H87 N O8 P 1	801.15	(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE
OAA	61	83	C4 H3 O5 -1	131.06	OXALOACETATE ION
GDU	76	83	C15 H24 N2 O17 P2	566.30	GALACTOSE-URIDINE-5'-DIPHOSPHATE
5AD	65	83	C10 H13 N5 O3	251.24	5'-DEOXYADENOSINE
PLG	45	82	C10 H15 N2 O7 P	306.21	N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
GPP	67	82	C10 H20 O7 P2	314.21	GERANYL DIPHOSPHATE
ATG	52	82
ARS	52	82	AS	74.92	ARSENIC
0QE	80	82	C H3 CL	50.49	CHLOROMETHANE
UTP	68	81	C9 H15 N2 O15 P3	484.14	URIDINE 5'-TRIPHOSPHATE
PRO	66	81	C5 H9 N O2	115.13	PROLINE
OMG	66	81	C11 H16 N5 O8 P	377.25	O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
CR8	81	81	C17 H16 N5 O4 -1	354.34	2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE
BHG	62	81	C12 H24 O6	264.32	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
39Y	28	81	C8 H14 O2	142.20	(2E,5S)-5-methylhept-2-enoic acid
TCL	79	80	C12 H7 CL3 O2	289.54	TRICLOSAN
PEV	8	80	C39 H78 N O8 P	720.01	(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE
DLY	60	80	C6 H14 N2 O2	146.19	D-LYSINE
BPB	44	80	C55 H76 N4 O6	887.20	BACTERIOPHEOPHYTIN B
THP	78	79	C10 H16 N2 O11 P2	402.19	THYMIDINE-3',5'-DIPHOSPHATE
ETA	48	79	C2 H7 N O	61.08	ETHANOLAMINE
13D	6	79	C3 H10 N2	74.12	1,3-DIAMINOPROPANE
MAE	48	78	C4 H4 O4	116.07	MALEIC ACID
B3K	29	78	C7 H16 N2 O2	160.21	(3S)-3,7-DIAMINOHEPTANOIC ACID
4SU	78	78	C9 H13 N2 O8 P S	340.25	4-THIOURIDINE-5'-MONOPHOSPHATE
2GP	66	78	C10 H14 N5 O8 P	363.22	GUANOSINE-2'-MONOPHOSPHATE
289	5	78	C7 H14 O7	210.18	D-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSE
TRQ	77	77	C11 H10 N2 O4	234.21	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID
G6P	51	77	C6 H13 O9 P	260.14	ALPHA-D-GLUCOSE-6-PHOSPHATE
CM5	32	77	C23 H42 O11	494.57	5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE
AZA	57	77	C4 H3 N5 O2	153.10	8-AZAXANTHINE
XCP	27	76	C6 H11 N O2	129.16	(1S,2S)-2-AMINOCYCLOPENTANECARBOXYLIC ACID
GYC	76	76	C14 H15 N3 O4 S	321.35	[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
B3E	39	76	C6 H11 N O4	161.16	(3S)-3-AMINOHEXANEDIOIC ACID
3CO	56	76	CO 3	58.93	COBALT (III) ION
12D	2	76	C16 H16 N8 O16 P2	638.29	2',3'-O-[(1R,6R)-2,4,6-TRINITROCYCLOHEXA-2,4-DIENE-1,1-DIYL]ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE)
PGH	55	75	C2 H6 N O6 P	171.05	PHOSPHOGLYCOLOHYDROXAMIC ACID
IVA	73	75	C5 H10 O2	102.13	ISOVALERIC ACID
DKA	50	75	C10 H20 O2	172.26	DECANOIC ACID
21D	1	75	C10 H8 O6 S2	288.30	NAPHTHALENE-1,5-DISULFONIC ACID
1MG	75	75	C11 H16 N5 O8 P	377.25	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE
PGW	11	74	C40 H77 O10 P	749.01	(1R)-2-{[(S)-{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(HEXADECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE
PE8	51	74	C16 H34 O9	370.44	3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL
GRG	60	74	C20 H36 O7 P2	450.44	GERANYLGERANYL DIPHOSPHATE
DUD	44	74	C9 H14 N2 O11 P2	388.16	DEOXYURIDINE-5'-DIPHOSPHATE
BB9	26	74	C3 H5 N O2 S	119.14	(2Z)-2-AMINO-3-SULFANYLPROP-2-ENOIC ACID
26C	2	74	C13 H8 F2 O2	234.20	2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
13C	4	74	C17 H20 CL N O4	337.80	(5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE
WO2	42	73	O62 P2 W18	4363.03	OCTADECATUNGSTENYL DIPHOSPHATE
STU	67	73	C28 H26 N4 O3	466.53	STAUROSPORINE
PER	63	73	O2 -2	32.00	PEROXIDE ION
OZT	40	73	C5 H7 N O4	145.11	(4S,5R)-5-METHYL-2-OXO-1,3-OXAZOLIDINE-4-CARBOXYLIC ACID
L3P	21	73	C46 H94 O11 P2 -2	885.18	2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE
FOR	63	73	C H2 O	30.03	FORMYL GROUP
FA1	37	73	C7 H10 O5	174.15	2,3 -ANHYDRO-QUINIC ACID
DHA	40	73	C3 H5 N O2	87.08	2-AMINO-ACRYLIC ACID
15C	1	73	C17 H13 N O3	279.29	2-(4-ACETYLPHENYL)-4-METHYL-1H-ISOINDOLE-1,3(2H)-DIONE
V7O	32	72	O19 V7	660.58	META VANADATE
PSC	72	72	C42 H81 N O8 P 1	759.07	(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE
ORO	68	72	C5 H4 N2 O4	156.10	OROTIC ACID
FUM	50	72	C4 H4 O4	116.07	FUMARIC ACID
CH2	72	72
FDA	57	71	C27 H35 N9 O15 P2	787.57	DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
23C	2	71	C22 H15 N O6	389.36	2-[(1R)-1-CARBOXY-2-NAPHTHALEN-1-YLETHYL]-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
19C	1	71	C15 H11 CL F N O3	307.70	2-[(3-CHLORANYL-4-FLUORANYL-PHENYL)METHYL]-6,7-BIS(OXIDANYL)ISOINDOL-1-ONE
17D	4	71	C14 H12 O2	212.24	2-BENZYLBENZOIC ACID
PLR	44	70	C8 H12 N O5 P	233.16	(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
PG6	43	70	C12 H26 O6	266.33	1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
KPI	70	70	C9 H16 N2 O4	216.23	(2S)-2-AMINO-6-[(1-HYDROXY-1-OXO-PROPAN-2-YLIDENE)AMINO]HEXANOIC ACID
GHP	29	70	C8 H9 N O3	167.16	(2R)-AMINO(4-HYDROXYPHENYL)ETHANOIC ACID
5RP	56	70	C5 H11 O8 P	230.11	RIBULOSE-5-PHOSPHATE
PPU	69	69	C22 H30 N7 O8 P	551.49	PUROMYCIN-5'-MONOPHOSPHATE
DTY	44	69	C9 H11 N O3	181.19	D-TYROSINE
CAM	69	69	C10 H16 O	152.23	CAMPHOR
ASN	51	69	C4 H8 N2 O3	132.12	ASPARAGINE
SPD	53	68	C7 H19 N3	145.25	SPERMIDINE
PPV	57	68	H4 O7 P2	177.98	PYROPHOSPHATE
NIY	61	68	C9 H10 N2 O5	226.19	META-NITRO-TYROSINE
FPP	64	68	C15 H28 O7 P2	382.33	FARNESYL DIPHOSPHATE
CUA	68	68	CU2	127.09	DINUCLEAR COPPER ION
BGL	47	68	C14 H28 O6	292.37	B-2-OCTYLGLUCOSIDE
REA	57	67	C20 H28 O2	300.43	RETINOIC ACID
PNS	57	67	C11 H23 N2 O7 P S	358.35	4'-PHOSPHOPANTETHEINE
LYZ	12	67	C6 H14 N2 O3	162.19	5-HYDROXYLYSINE
ICT	47	67	C6 H8 O7	192.12	ISOCITRIC ACID
FOL	65	67	C19 H19 N7 O6	441.40	FOLIC ACID
F	37	67	F -1	19.00	FLUORIDE ION
DTU	54	67	C4 H10 O2 S2	154.25	(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL
BCD	44	67	C42 H70 O35	1134.98	BETA-CYCLODEXTRIN
AG2	46	67	C5 H14 N4	130.19	AGMATINE
47C	1	67	C12 H18 N3 O8 P	363.26	2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE)
38C	3	67	C18 H14 F3 N3 O3	377.32	3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
32D	1	67	C24 H16 F3 N5	431.42	(1S)-1-[2-(DIFLUOROMETHYL)PYRIDIN-4-YL]-4-FLUORO-1-(3-PYRIMIDIN-5-YLPHENYL)-1H-ISOINDOL-3-AMINE
TP7	44	66	C11 H24 N O7 P S	345.35	PHOSPHORIC ACID N-(1-HYDROXY-7-MERCAPTO-HEPTYL)THREONINE ESTER
OXM	65	66	C2 H3 N O3	89.05	OXAMIC ACID
CCN	23	66	C2 H3 N	41.05	ACETONITRILE
AGM	44	66	C7 H17 N4 O2 1	189.24	5-METHYL-ARGININE
27D	1	66	C23 H19 F N6 O	414.43	1-[5-(4-AMINO-7-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-4-FLUORO-1H-INDOL-1-YL]-2-(6-METHYLPYRIDIN-2-YL)ETHANONE
EMC	36	65	C2 H5 HG 1	229.65	ETHYL MERCURY ION
CXP	44	65	C9 H16 O2	156.22	CYCLOHEXANE PROPIONIC ACID
BCN	48	65	C6 H13 N O4	163.17	BICINE
54D	1	65	C6 H6 O2 S	142.18	METHYL THIOPHENE-2-CARBOXYLATE
2MG	61	65	C11 H16 N5 O8 P	377.25	2N-METHYLGUANOSINE-5'-MONOPHOSPHATE
R5P	55	64	C5 H13 O8 P	230.11	RIBOSE-5-PHOSPHATE
PEH	18	64	C41 H82 N O8 P	748.07	DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE
HAS	64	64	C54 H64 FE N4 O6	920.95	HEME-AS
FNR	48	64	C17 H23 N4 O9 P	458.36	1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL
AZM	56	64	C4 H6 N4 O3 S2	222.24	5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
AYA	40	64	C5 H9 N O3	131.13	N-ACETYLALANINE
ADX	36	64	C10 H14 N5 O10 P S	427.28	ADENOSINE-5'-PHOSPHOSULFATE
34C	2	64	C11 H13 CL O3	228.67	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID
10F	1	64	C20 H29 N7 O7	479.49	N-({4-[{[(2R,4S,4AR,6S,8AS)-2-AMINO-4-HYDROXYDECAHYDROPTERIDIN-6-YL]METHYL}(FORMYL)AMINO]PHENYL}CARBONYL)-D-GLUTAMIC ACID
NMN	47	63	C11 H16 N2 O8 P 1	335.23	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
BAL	51	63	C3 H7 N O2	89.09	BETA-ALANINE
SCY	42	62	C5 H9 N O3 S	163.20	S-ACETYL-CYSTEINE
R1P	34	62	C5 H11 O8 P	230.11	RIBOSE-1-PHOSPHATE
PXX	28	62	C14 H11 N3 O	237.26	N-1,10-PHENANTHROLIN-5-YLACETAMIDE
PUT	56	62	C4 H12 N2	88.15	1,4-DIAMINOBUTANE
MLK	30	62	C37 H50 N2 O10	682.80	METHYLLYCACONITINE
78M	15	62	C18 H34 O4	314.46	(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE
PTY	32	61	C40 H80 N O8 P	734.04	PHOSPHATIDYLETHANOLAMINE
D10	37	61	C10 H22	142.28	DECANE
API	49	61	C7 H14 N2 O4	190.20	2,6-DIAMINOPIMELIC ACID
NCA	55	60	C6 H6 N2 O	122.12	NICOTINAMIDE
FGA	49	60	C5 H9 N O4	147.13	GAMMA-D-GLUTAMIC ACID
A2P	42	60	C10 H15 N5 O10 P2	427.20	ADENOSINE-2'-5'-DIPHOSPHATE
23D	3	60	C19 H24 CL N7	385.89	N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE
YOF	5	59	C9 H10 F N O3	199.18	3-FLUOROTYROSINE
SPM	56	59	C10 H26 N4	202.34	SPERMINE
PID	9	59	C39 H50 O7	630.81	PERIDININ
NCN	39	59	C11 H14 N O9 P	335.20	NICOTINATE MONONUCLEOTIDE
MA4	30	59	C24 H44 O11	508.60	CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
FDP	38	59	C6 H14 O12 P2	340.12	FRUCTOSE-2,6-DIPHOSPHATE
DAN	59	59	C11 H17 N O8	291.26	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
26D	1	59	C5 H7 N3	109.13	PYRIDINE-2,6-DIAMINE
18D	3	59	C12 H21 N O9	323.30	3,5-DIDEOXY-5-(PROPANOYLAMINO)-D-GLYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSONIC ACID
PG0	29	58	C5 H12 O3	120.15	2-(2-METHOXYETHOXY)ETHANOL
IAS	58	58	C4 H7 N O4	133.10	BETA-L-ASPARTIC ACID
ETF	31	58	C2 H3 F3 O	100.04	TRIFLUOROETHANOL
ABU	36	58	C4 H9 N O2	103.12	GAMMA-AMINO-BUTANOIC ACID
46C	1	58	C26 H20 CL N O4	445.89	4-[(6-CHLORO-1-OXO-4-PHENYL-3-PROPANOYLISOQUINOLIN-2(1H)-YL)METHYL]BENZOIC ACID
YG	44	57	C21 H29 N6 O12 P	588.46	WYBUTOSINE
OPE	51	57	C2 H8 N O4 P	141.06	PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
MQ7	53	57	C46 H64 O2	649.00	MENAQUINONE-7
H2S	42	57	H2 S	34.08	HYDROSULFURIC ACID
CP	37	57	C H4 N O5 P	141.02	PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
SLB	30	56	C11 H19 N O9	309.27	5-N-ACETYL-BETA-D-NEURAMINIC ACID
RNS	32	56	C6 H12 O5	164.16	L-RHAMNOSE
MOS	56	56	H MO O2 S	161.01	DIOXOTHIOMOLYBDENUM(VI) ION
DHE	42	56	C34 H32 FE N4 O10	712.48	HEME D
DCM	27	56	C9 H14 N3 O7 P	307.20	2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
DAR	43	56	C6 H15 N4 O2 1	175.21	D-ARGININE
XYL	40	55	C5 H12 O5	152.15	D-XYLITOL
SVR	17	55	C51 H40 N6 O23 S6	1297.28	8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID
SOG	19	55	C14 H28 O5 S	308.43	2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
O12	12	55	C17 H34 N2 O3	314.46	N~5~-DODECANOYL-L-ORNITHINE
MOO	34	55	MO O4 -2	159.94	MOLYBDATE ION
CLR	34	55	C27 H46 O	386.65	CHOLESTEROL
17F	9	55	C42 H78 N O10 P	788.04	O-[(S)-({(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL}OXY)(HYDROXY)PHOSPHORYL]-L-SERINE
GER	54	54	C20 H34	274.48	GERAN-8-YL GERAN
DXC	31	54	C24 H40 O4	392.57	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID
AP5	52	54	C20 H29 N10 O22 P5	916.37	BIS(ADENOSINE)-5'-PENTAPHOSPHATE
ACH	31	54	C7 H16 N O2 1	146.21	ACETYLCHOLINE
76D	1	54	C16 H24 O2	248.36	2,4,6-TRI(PROPAN-2-YL)BENZOIC ACID
47D	3	54	C14 H10 CL N3 O4 S	351.77	{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
46D	1	54	C15 H22 O14	426.33	(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID)
STL	36	53	C14 H12 O3	228.24	RESVERATROL
OS	9	53	OS 3	190.23	OSMIUM ION
LU	32	53	LU 3	174.97	LUTETIUM (III) ION
HPA	53	53	C5 H4 N4 O	136.11	HYPOXANTHINE
G3H	49	53	C3 H7 O6 P	170.06	GLYCERALDEHYDE-3-PHOSPHATE
BE2	29	53	C7 H7 N O2	137.14	2-AMINOBENZOIC ACID
B3N	31	53	C16 H25 N3 O3	307.39	4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE
56D	8	53	C10 H10 O3	178.18	(3R)-2-OXO-3-PHENYLBUTANOIC ACID
37D	2	53	C10 H10 N2 O3	206.20	METHYL 5-FURAN-2-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
35C	2	53	C6 H4 CL2 O2	179.00	3,5-DICHLOROBENZENE-1,2-DIOL
SGM	46	52	C3 H8 O2 S	108.16	MONOTHIOGLYCEROL
PMS	43	52	C7 H8 O3 S	172.20	PHENYLMETHANESULFONIC ACID
PHI	38	52	C9 H10 I N O2	291.09	IODO-PHENYLALANINE
P5P	24	52	C10 H13 N4 O7 P	332.21	PURINE RIBOSIDE-5'-MONOPHOSPHATE
MHO	20	52	C5 H11 N O3 S	165.21	S-OXYMETHIONINE
IHP	43	52	C6 H18 O24 P6	660.03	INOSITOL HEXAKISPHOSPHATE
CMH	16	52	C4 H9 HG N O2 S	335.77	S-(METHYLMERCURY)-L-CYSTEINE
C2F	40	52	C20 H25 N7 O6	459.46	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID
AMG	38	52	C7 H14 O6	194.18	ALPHA-METHYL-D-GALACTOSIDE
A5P	32	52	C5 H13 O8 P	232.13	ARABINOSE-5-PHOSPHATE
77D	2	52	C22 H26 F I N4 O2 S	556.43	2-[(2-FLUORO-4-IODOPHENYL)AMINO]-5,5-DIMETHYL-8-OXO-N-[(3R)-PIPERIDIN-3-YL]-5,6,7,8-TETRAHYDRO-4H-THIENO[2,3-C]AZEPINE-3-CARBOXAMIDE
75D	1	52	C15 H24 O3 S	284.41	2,4,6-TRI(PROPAN-2-YL)BENZENESULFONIC ACID
32X	2	52	C9 H8 N2 O	160.17	5-aminoisoquinolin-1(4H)-one
25D	2	52	C30 H35 N3 O4	501.62	2-CYCLOHEXYL-N-[(3-{[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]AMINO}NAPHTHALEN-2-YL)CARBONYL]-D-ALANINE
16G	26	52	C8 H16 N O9 P	301.19	N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE
URF	35	51	C4 H3 F N2 O2	130.08	5-FLUOROURACIL
TCA	15	51	C9 H8 O2	148.16	PHENYLETHYLENECARBOXYLIC ACID
NEP	46	51	C6 H10 N3 O5 P	235.13	N1-PHOSPHONOHISTIDINE
78C	1	51	C15 H17 N O3	259.30	CYCLOPENTYL 2-OXO-4-PHENYLAZETIDINE-1-CARBOXYLATE
RUB	34	50	C5 H12 O11 P2	310.09	RIBULOSE-1,5-DIPHOSPHATE
NVP	50	50	C15 H14 N4 O	266.30	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
NCT	30	50	C10 H14 N2	162.23	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE
GCO	30	50	C6 H12 O7	196.15	GLUCONIC ACID
G39	48	50	C14 H24 N2 O4	284.35	(3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
ETX	33	50	C4 H10 O2	90.12	2-ETHOXYETHANOL
DY	8	50	DY 2	162.50	DYSPROSIUM ION
CSE	29	50
CBS	29	50	C16 H28 N2 O11	424.40	DI(N-ACETYL-D-GLUCOSAMINE)
C2O	41	50	CU2 O	143.09	CU-O-CU LINKAGE
ASK	50	50
ACN	34	50	C3 H6 O	58.08	ACETONE
ACM	33	50	C2 H5 N O	59.07	ACETAMIDE
5CM	41	50	C10 H16 N3 O7 P	321.22	5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
36C	2	50	C17 H11 F4 N3 O2	365.28	3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

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Analysis of Binding Sites

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