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4096703
 
#1

Acros Organics: 12537
American Custom Chemicals Corp.: CRB0000836
BioSynth: W-203202
Indofine: 024187
TCI: M0050...43 total

ref: mol2, SDF, SMILES, flexibase
-4.30,-16.36,-11.21,8,11,0, 342.297, 4

Similar to: 5828836, 34522561, 34522562,
4096704
 
#2

Acros Organics: 12537
American Custom Chemicals Corp.: CRB0000836
Combi-Blocks: QB-2861
Indofine: 04-1451
Ryan Scientific BB: 077-53908...29 total

ref: mol2, SDF, SMILES, flexibase
-4.30,-16.23,-12.24,8,11,0, 342.297, 4

Similar to: 5828836, 3830982, 3830983, 3830984, 3830985, ... 10 in total.
4097113
 
#3

ChemMol: 44021406
Alfa-Aesar: A14553
American Custom Chemicals Corp.: CRB0000809, CRB0001177
Apexmol Building Blocks: AM83979
Ark Pharm Building Blocks: AK162390...125 total

ref: mol2, SDF, SMILES, flexibase
-3.43,-19.94,-10.57,8,11,0, 342.297, 4

Similar to: 3830982, 3830983, 3830984, 3830985, 3977952, ... 9 in total.
1843029
 
#4

ChemMol: 30100954
eMolecules: 476195
Molport: MolPort-001-779-876
Acros Organics: 10284
AK Scientific: H736...227 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-7.26,-11.05,5,7,0, 158.117, 1
mid: mol2, SDF, SMILES, flexibase
-1.85,-9.89,-40.26,4,7,-1, 157.109, 1
mid: mol2, SDF, SMILES, flexibase
-2.41,-9.78,-20.83,4,7,0, 157.109, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-13.65,-13.6,5,7,0, 158.117, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-12.06,-35.62,6,7,1, 159.125, 1
1843030
 
#5

ChemMol: 30100954
eMolecules: 476195
Molport: MolPort-001-779-876
TCM Database @ Taiwan: 27277, tcm03_000296
UEFS Natural Products: uefs-286...223 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-7.26,-11.03,5,7,0, 158.117, 1
mid: mol2, SDF, SMILES, flexibase
-1.85,-9.89,-40.27,4,7,-1, 157.109, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-12.09,-35.58,6,7,1, 159.125, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-13.67,-13.57,5,7,0, 158.117, 1
18068098
 
#6

Molport: MolPort-003-665-711
TCM Database @ Taiwan: tcm03_007350, 26071, tcm03_000192
Acros Organics: 16703, 30287, 22586, 22598
AK Scientific: K573
Alfa-Aesar: L03253...208 total

ref: mol2, SDF, SMILES, flexibase
-2.67,-8.82,-10.23,5,5,0, 152.146, 4
895205
 
#7

eMolecules: 206921862
Molport: MolPort-002-911-501, MolPort-003-665-711
TCM Database @ Taiwan: tcm03_000560
Acros Organics: 22598, 16703, 30287, 22586
Alfa-Aesar: A13103...122 total

ref: mol2, SDF, SMILES, flexibase
-2.67,-10.72,-10.62,5,5,0, 152.146, 4

Similar to: 32219694, 32219701, 32219702, 32219703, 34595964, ... 6 in total.
895208
 
#8

Molport: MolPort-003-665-711
Acros Organics: 16703, 30287, 22586, 22598
AK Scientific: K310
Alfa-Aesar: A13103, L03253, A17801
American Custom Chemicals Corp.: API0003092...109 total

ref: mol2, SDF, SMILES, flexibase
-2.67,-10.72,-10.62,5,5,0, 152.146, 4

Similar to: 32219694, 32219701, 32219702, 32219703, 34595964, ... 6 in total.
4404494
 
#9

AK Scientific: M305
AKOS: AKOS015995554
American Custom Chemicals Corp.: CHM0115050
Sigma Aldrich (Building Blocks): C7578|ALDRICH
Tetrahedron Building Blocks: TS80667...53 total

ref: mol2, SDF, SMILES, flexibase
7.80,12.6,-1.16,1,1,0, 388.68, 5

Similar to: 3814431, 3843674, 3843675, 3843676, 3843677, ... 9 in total.
902225
 
#10

American Custom Chemicals Corp.: CRB0003300
Chembo Pharma: KB-50463
Chemstep: 45977, 45993
FineTech: FT-0624345
Biocyc via PubChem: D-RIBULOSE...44 total

ref: mol2, SDF, SMILES, flexibase
-3.07,-7.94,-13.21,4,5,0, 150.13, 4

Similar to: 4095647, 4095649, 8552145, 33985865, ... 4 in total.
14516984
 
#11

ChemMol: 2000372, 83603184, 96707561
eMolecules: 493363
L99A binders: INDOLE
L99A/M102Q binders: INDOLE
Molport: MolPort-001-738-532...754 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.53,-5.07,1,1,0, 117.151, 0

Similar to: 32208172, 39047179, 39279038,
2041302
 
#12

ChemMol: 30102482, 30103582
eMolecules: 485733
Molport: MolPort-003-927-039
TCM Database @ Taiwan: 26775, tcm03_005186
Acros Organics: 13273...437 total

ref: mol2, SDF, SMILES, flexibase
-3.09,-13.27,-11.12,6,6,0, 182.172, 5

Similar to: 12502017, 12502019, 34345336, 34345337, 34345338, ... 7 in total.
895969
 
#13

L99A non-binders: 1-PROPANOL
TCM Database @ Taiwan: tcm03_007044, tcm03_006328
Acros Organics: 14948, 39694, 44627, 23207, 43436, 38960, 44577
Alfa-Aesar: 22989, 41842, 22932, 36571, 41465, A19902, 44770, 43848, 22933
BOC Sciences BB: 102910-31-6...377 total

ref: mol2, SDF, SMILES, flexibase
0.56,-1.43,-2.49,1,1,0, 60.096, 1
3861280
 
#14

ChemMol: 30107902
Molport: MolPort-016-633-330
TCM Database @ Taiwan: tcm03_007307
Acros Organics: 17408
AK Scientific: HTS004716...63 total

ref: mol2, SDF, SMILES, flexibase
-1.64,-9.41,-9.21,4,5,0, 164.157, 0
3861281
 
#15

ChemMol: 30108351, 44001491
Molport: MolPort-016-633-330
Acros Organics: 17408
AK Scientific: HTS004716
Alfa-Aesar: A16166...45 total

ref: mol2, SDF, SMILES, flexibase
-1.63,-7.05,-8.99,4,5,0, 164.157, 0

Similar to: 5830066,
901159
 
#16

Acros Organics: 32793, 38364, 38971, 41279, 44708, 17485, 14932, 20517, 32696, 36440, 38391, 39650, 42383, 16788, 21223, 32727, 38020, 38392, 39698, 44425, 18413, 30124
Alfa-Aesar: 36583, 41262, 36613, 41836, 22982, 42376, 35821, 39320, 36594, 39194, 41271, 45480, 19397, 42930, 44468, 42839, 41840, 14477, 39153, A13703, 36589, 44451, 44562, 39167, 42277, 42302, 44873, 40038, 36585, 41484, 14007, 42375, 42810, 36591, 41463, 77115, 36644, 89446, 36563, 41046, 16352, 39579, 41843, 14523, 89798, 39165, 36573, 43175, 42098, 36582, 41377, 41047, 43024, 36572, 43938, 39159, 14481, 36590, 42314, 36593, 40983, 41338, 35794, 22906, 44474, 42673, 42840, 39162, 14524, 40247, L10181, 41311, 40520, 14616, 45651, 36579, 41971
BOC Sciences BB: 22739-76-0
Chembo Pharma: KB-48447, KB-261085, KB-59822
FineTech: FT-0613371...740 total

ref: mol2, SDF, SMILES, flexibase
0.42,-0.42,-2.06,1,1,0, 60.096, 0
4262223
 
#17

AK Scientific: M305
AKOS: AKOS015995554
Aldrich CPR: R206466|ALDRICH
Alfa-Aesar: L08624
American Custom Chemicals Corp.: CHM0115050...93 total

ref: mol2, SDF, SMILES, flexibase
7.80,12.64,-1.37,1,1,0, 388.68, 5

Similar to: 3814431, 3843674, 3843675, 3843676, 3843677, ... 9 in total.
4095531
 
#18

TCM Database @ Taiwan: tcm03_008479, 47278
Acros Organics: 18255, 30987
Aldrich CPR: S410241|ALDRICH
Alfa-Aesar: A19434
American Custom Chemicals Corp.: CRB0002885...201 total

ref: mol2, SDF, SMILES, flexibase
-2.95,-17.37,-10.5,8,11,0, 342.297, 4

Similar to: 4217475, 4556538, 4556539, 4556540, 4556541, ... 41 in total.
4096018
 
#19

Biocyc via PubChem: CPD-560
Bovine Metabolome: BMDB01087
E. coli Metabolome Database: ECMDB01087
Food Database: FDB022418
HMDB Endogenous: HMDB01087...14 total

ref: mol2, SDF, SMILES, flexibase
-0.32,-7.48,-6.94,3,4,0, 180.225, 2

Similar to: 16051724,
4228290
 
#20

Alfa-Aesar: L11167
American Custom Chemicals Corp.: CRB0000907, CRB0000910
Apexmol Building Blocks: AM83972
Apollo Scientific Bioactives: BIA1221
Ark Pharm Building Blocks: AK161878...56 total

ref: mol2, SDF, SMILES, flexibase
-3.08,-8.84,-14.51,5,7,0, 221.209, 2

Similar to: 4787862, 4787865, 4787868, 4787871, 5829883, ... 19 in total.
3861737
 
#21

ChemMol: 44002183, 30101752
TCM Database @ Taiwan: tcm03_007824
Acros Organics: 22596
APIChem: AC-11890
Boerchem Pharmatech BB: BC203682...34 total

ref: mol2, SDF, SMILES, flexibase
-2.78,-11.75,-7.84,5,6,0, 180.156, 1

Similar to: 4097154, 4097155, 4228313, 34611647, 34611649, ... 7 in total.
895111
 
#22

TCM Database @ Taiwan: tcm03_004167
Acros Organics: 16764, 26831, 32674, 35138, 40010, 16622, 17680, 32657, 32680, 21737, 42324, 17717, 32670, 32784, 44415
Alfa-Aesar: 42263, 19392, 42260, 16797, 30698, 42262, L10407, 43053, 42458, 22928, 42261, 32451
FineTech: FT-0621803
Fluorochem: D-009...435 total

ref: mol2, SDF, SMILES, flexibase
0.23,2,-5.31,0,1,0, 58.08, 0
lo: mol2, SDF, SMILES, flexibase
0.23,-3.7,-111.51,0,1,-2, 58.08, 0
897142
 
#23

eMolecules: 501943
L99A non-binders: P-CRESOL
Molport: MolPort-000-872-040
TCM Database @ Taiwan: tcm03_001706, 30285
Acros Organics: 40574...473 total

ref: mol2, SDF, SMILES, flexibase
1.91,2.31,-3.68,1,1,0, 108.14, 0

Similar to: 39248653,
897141
 
#24

ChemMol: 1203493, 44003559, 30103802, 98000183
eMolecules: 474502
Molport: MolPort-001-783-114
TCM Database @ Taiwan: 26997, tcm03_001705
Acros Organics: 11058...310 total

ref: mol2, SDF, SMILES, flexibase
1.88,2.31,-3.76,1,1,0, 108.14, 0

Similar to: 34551283,
901022
 
#25

ChemMol: 96707528, 1202475, 98000227
eMolecules: 483922
L99A/M102Q binders: MFCD00002226
Molport: MolPort-019-369-022
TCM Database @ Taiwan: 26995...477 total

ref: mol2, SDF, SMILES, flexibase
2.33,2.39,-3.69,1,1,0, 108.14, 0
8220175
 
#26

TCM Database @ Taiwan: 27592
BioSynth: W-108152
Cayman Chemical: 10009992
Biocyc via PubChem: CPD1F-130
Bovine Metabolome: BMDB02789...32 total

ref: mol2, SDF, SMILES, flexibase
9.39,19.02,-6.3,2,2,0, 568.886, 10

Similar to: 13397730, 13397733, 14594130, 14594131, 32788421, ... 21 in total.
404444
 
#27

ChemMol: 96700322
Molport: MolPort-002-473-325
Scientific Exchange (make on demand): POD_10/0677
TCM Database @ Taiwan: tcm03_005777
AK Scientific: V1451...54 total

ref: mol2, SDF, SMILES, flexibase
-0.11,1.02,-8.71,1,3,0, 136.154, 1

Similar to: 39050709,
12405152
 
#28

Acros Organics: 10764
Alfa-Aesar: H66369
Anward: ANW-41590
Chembo Pharma: KB-67232
Element Store BB: b2star-24347-58-8...137 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-2.83,-3.49,2,2,0, 90.122, 1

Similar to: 901616, 901619,
901616
 
#29

Acros Organics: 21798, 10764
Alfa-Aesar: H66369, L06586
American Custom Chemicals Corp.: CHM0004552
Anward: ANW-25408, ANW-41590
Ark Pharm Building Blocks: AK-84477...159 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-2.22,-3.06,2,2,0, 90.122, 1

Similar to: 12405152,
901619
 
#30

ChemMol: 44027417
TCM Database @ Taiwan: 31326
Acros Organics: 24773, 10764
AK Scientific: H556
AKOS: AKOS015840290...153 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-2.54,-4.83,2,2,0, 90.122, 1

Similar to: 12405152,
1532803
 
#31

Apexmol Building Blocks: AM85663
Beijing Acemol Technology: AMOT0353
Biocyc via PubChem: HYDROXYPROPANAL
Bovine Metabolome: BMDB03453
ChEBI: CHEBI:17871...45 total

ref: mol2, SDF, SMILES, flexibase
-0.23,-1.38,-7.52,1,2,0, 74.079, 2
4096200
 
#32

Sigma Aldrich (Building Blocks): 730645|ALDRICH
Biocyc via PubChem: 5-BETA-ANDROSTANE-317-DIONE
Bovine Metabolome: BMDB03769
ChEBI: CHEBI:16985, CHEBI:22542
ChEMBL12: CHEMBL1230988...35 total

ref: mol2, SDF, SMILES, flexibase
3.24,2.17,-8.93,0,2,0, 288.431, 0

Similar to: 173985, 394228, 967517, 968209, 1041202, ... 9 in total.
4096380
 
#33

Biocyc via PubChem: DIMETHYL-D-RIBITYL-LUMAZINE
Bovine Metabolome: BMDB03826
ChEBI: CHEBI:17601, CHEBI:58201
ChEMBL12: CHEMBL1232264
ChemDB: 6916688...23 total

ref: mol2, SDF, SMILES, flexibase
-2.62,-12.3,-29.46,5,10,0, 326.309, 5

Similar to: 4096381, 4096382, 4096383, 8551675, 8551676, ... 8 in total.
4096381
 
#34

Biocyc via PubChem: DIMETHYL-D-RIBITYL-LUMAZINE
Bovine Metabolome: BMDB03826
ChemDB: 6916688
E. coli Metabolome Database: ECMDB03826
Food Database: FDB023230...12 total

ref: mol2, SDF, SMILES, flexibase
-2.62,-12.78,-31.46,5,10,0, 326.309, 5

Similar to: 4096382, 4096383, 8551675, 8551676, 8551677, ... 8 in total.
4096382
 
#35

Biocyc via PubChem: DIMETHYL-D-RIBITYL-LUMAZINE
Bovine Metabolome: BMDB03826
ChemDB: 6916688
E. coli Metabolome Database: ECMDB03826
Food Database: FDB023230...12 total

ref: mol2, SDF, SMILES, flexibase
-2.62,-11.62,-29.29,5,10,0, 326.309, 5

Similar to: 4096383, 8551675, 8551676, 8551677, 32145467, ... 8 in total.
4096383
 
#36

Biocyc via PubChem: DIMETHYL-D-RIBITYL-LUMAZINE
Bovine Metabolome: BMDB03826
ChemDB: 6916688
E. coli Metabolome Database: ECMDB03826
Food Database: FDB023230...12 total

ref: mol2, SDF, SMILES, flexibase
-2.62,-12.72,-31.02,5,10,0, 326.309, 5

Similar to: 8551675, 8551676, 8551677, 32145467, ... 8 in total.
1530354
 
#37

TCM Database @ Taiwan: tcm03_006433, 28500
Acros Organics: 10769, 42349, 16769, 39896, 23208, 39375
AK Scientific: S459
Alfa-Aesar: 87754, 40816, 31068, 77124, 44209, 36570, B23317, 32443, L13171, 33496, 43295, 22925, 41867
Angene Building Blocks: AGN-PC-0SJXH6...1071 total

ref: mol2, SDF, SMILES, flexibase
1.12,0.35,-2.45,1,1,0, 74.123, 2

Similar to: 32257166,
4654839
 
#38

Biocyc via PubChem: CPD-6947
Bovine Metabolome: BMDB04649
ChEBI: CHEBI:31087
Food Database: FDB023391
HMDB Endogenous: HMDB04649...17 total

ref: mol2, SDF, SMILES, flexibase
8.62,19.02,-5.53,0,2,0, 436.68, 14

Similar to: 12503234, 33841729, 33841730, 36378000, ... 4 in total.
4654840
 
#39

Biocyc via PubChem: CPD-6947
Bovine Metabolome: BMDB04649
Food Database: FDB023391
HMDB Endogenous: HMDB04649
HMDB Food: HMDB04649...13 total

ref: mol2, SDF, SMILES, flexibase
8.62,19,-5.45,0,2,0, 436.68, 14

Similar to: 12503234, 33841729, 33841730, 36378000, ... 4 in total.
4654841
 
#40

Biocyc via PubChem: CPD-6947
Bovine Metabolome: BMDB04649
HMDB Endogenous: HMDB04649
HMDB Food: HMDB04649
HMDB Microbe: HMDB04649...10 total

ref: mol2, SDF, SMILES, flexibase
8.62,19.01,-5.49,0,2,0, 436.68, 14

Similar to: 12503234, 33841729, 33841730, 36378000, ... 4 in total.
4654842
 
#41

Biocyc via PubChem: CPD-6947
Bovine Metabolome: BMDB04649
HMDB Endogenous: HMDB04649
HMDB Food: HMDB04649
HMDB Microbe: HMDB04649...10 total

ref: mol2, SDF, SMILES, flexibase
8.62,19.01,-5.51,0,2,0, 436.68, 14

Similar to: 12503234, 33841729, 33841730, 36378000, ... 4 in total.
4658606
 
#42

eMolecules: 506257
Molport: MolPort-003-666-648
TCM Database @ Taiwan: tcm03_002536
Acros Organics: 12778
Alfa-Aesar: B21747...94 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-1.22,-12.1,0,2,0, 94.135, 0
1687155
 
#43

ChemMol: 44016177
eMolecules: 483537
Molport: MolPort-001-785-833
TCM Database @ Taiwan: 28469
Acros Organics: 15828...336 total

ref: mol2, SDF, SMILES, flexibase
0.80,0.26,-2.35,1,1,0, 74.123, 1

Similar to: 34539503,
896830
 
#44

eMolecules: 494081
Molport: MolPort-001-793-103
TCM Database @ Taiwan: tcm03_004329, 28468
Acros Organics: 41273, 32715, 43387, 41272, 12648, 45166
Alfa-Aesar: 36716...183 total

ref: mol2, SDF, SMILES, flexibase
1.33,0.86,-2.37,1,1,0, 88.15, 2
163492
 
#45

ChemMol: 42301236, 30100539, 1036616, 44000812
eMolecules: 480365
Molport: MolPort-001-759-332
Acorn PharmaTech: ACN-S003354
Acros Organics: 15665...87 total

ref: mol2, SDF, SMILES, flexibase
2.05,1.72,-10.43,1,2,0, 156.188, 1

Similar to: 33847054, 34329848, 34332690, 34421921, 34541986, ... 7 in total.
895418
 
#46

FineTech: FT-0624543
Biocyc via PubChem: RHAMNULOSE
Bovine Metabolome: BMDB10207
ChemDB: 6914308
E. coli Metabolome Database: ECMDB04144...15 total

ref: mol2, SDF, SMILES, flexibase
-2.49,-4.23,-12.76,4,5,0, 164.157, 4
hi: mol2, SDF, SMILES, flexibase
-2.49,-3.8,-54.71,3,5,-1, 163.149, 4

Similar to: 4095647, 4095649, 33902628, 34348819, 34348820, ... 6 in total.
6031990
 
#47

AK Scientific: W2684
Bovine Metabolome: BMDB11659
ChemDB: 7624407
Food Database: FDB028350
HMDB Endogenous: HMDB11659...13 total

ref: mol2, SDF, SMILES, flexibase
-1.79,-8.54,-7.3,4,4,0, 136.147, 3

Similar to: 14488919, 36466067, 39253145,
14590536
 
#48

AK Scientific: W2684
Bovine Metabolome: BMDB11659
ChemDB: 7624407
Food Database: FDB028350
HMDB Endogenous: HMDB11659...13 total

ref: mol2, SDF, SMILES, flexibase
-1.79,-7.23,-7.33,4,4,0, 136.147, 3

Similar to: 36466067, 39253145, 14488919,
896169
 
#49

eMolecules: 4793049, 4792250, 901748, 4792815
Molport: MolPort-001-780-232, MolPort-002-513-640
AKOS: AKOS000119941
BioBlocks BB: ZERO/013003
BioSynth: J-200004...240 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-11.46,-8.8,5,6,0, 180.156, 1

Similar to: 3954528, 4090206, 4095659, 4095660, 4097150, ... 29 in total.
896168
 
#50

BioSynth: W-203249, J-200004
J&K Chemical: A01523000, A01310854
Labotest: LT03328707
Molport BB: MolPort-006-822-900
Pharmeks: PHAR096621...58 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-12.2,-8.95,5,6,0, 180.156, 1

Similar to: 3954528, 4090206, 4095659, 4095660, 4097150, ... 29 in total.
4097550
 
#51

TCM Database @ Taiwan: tcm03_002539, 29618
Acros Organics: 41503
Alfa-Aesar: H32913
Angene Building Blocks: AGN-PC-0JKELR
Anward: ANW-28444...30 total

ref: mol2, SDF, SMILES, flexibase
1.84,6.22,-2.47,0,0,0, 126.271, 2
6091886
 
#52

ChemMol: 98002164, 1202828
AKOS: AKOS015995386
Chemik Building Blocks: CHB85509
Chemstep: 54572
MicroCombiChem BB: MCC1871...20 total

ref: mol2, SDF, SMILES, flexibase
0.00,-1.63,-15.95,2,4,0, 208.213, 2

Similar to: 6091898, 35784406, 35784410, 39039188, 39039189, ... 5 in total.
6091898
 
#53

ChemMol: 98002164, 1202828
AKOS: AKOS015995386
Chemik Building Blocks: CHB85509
Chemstep: 54505, 54572
MicroCombiChem BB: MCC1871...25 total

ref: mol2, SDF, SMILES, flexibase
0.00,-1.61,-13.97,2,4,0, 208.213, 2

Similar to: 35784406, 35784410, 39039188, 39039189, ... 5 in total.
18168715
 
#54

AK Scientific: I454, HTS004700, P886, K606
AKOS: AKOS015855459
Alfa-Aesar: A17007, A10643, A10357
American Custom Chemicals Corp.: CRB0000873, CRB0002045, CRB0000952
Anward: ANW-21093...316 total

ref: mol2, SDF, SMILES, flexibase
-2.22,-7.48,-11.99,4,5,0, 150.13, 4
ref: mol2, SDF, SMILES, flexibase
-2.22,-7.36,-11.73,4,5,0, 150.13, 4
ref: mol2, SDF, SMILES, flexibase
-2.22,-5.76,-11.37,4,5,0, 150.13, 4
hi: mol2, SDF, SMILES, flexibase
-3.07,-5.82,-55.76,3,5,-1, 149.122, 4

Similar to: 34618410, 3650248, 3650249, 8552145, ... 4 in total.
2015871
 
#55

TCM Database @ Taiwan: tcm03_005479
AKOS: AKOS015852530
Alfa-Aesar: B22514
Angene Building Blocks: AGN-PC-0JFYYX
Anward: ANW-14484...40 total

ref: mol2, SDF, SMILES, flexibase
1.48,3.91,-1.9,0,0,0, 88.175, 2
213065
 
#56

ChemMol: 98000528, 44009269, 30100098
eMolecules: 521529
Enolase via KEGG (EFI): C00642_1
Scientific Exchange (make on demand): Z-003105
TCM Database @ Taiwan: tcm03_004149...152 total

ref: mol2, SDF, SMILES, flexibase
0.88,2.07,-47.22,1,3,-1, 151.141, 2

Similar to: 39260334,
895132
 
#57

ChemMol: 44015344
eMolecules: 43538073
Enolase via KEGG (EFI): C00246_1
Molport: MolPort-001-769-669
TCM Database @ Taiwan: tcm03_001040...820 total

ref: mol2, SDF, SMILES, flexibase
1.00,3.61,-43.26,0,2,-1, 87.098, 2

Similar to: 6273124,
5224164
 
#58

Enolase via KEGG (EFI): C00033_1
Molport: MolPort-016-582-902
TCM Database @ Taiwan: 27885, 31021
Acros Organics: 39712, 11971, 42586, 16620, 21105
Aldrich CPR: R252506|ALDRICH...1099 total

ref: mol2, SDF, SMILES, flexibase
-0.23,1.16,-44.05,0,2,-1, 59.044, 0
157015
 
#59

ChemMol: 44014824, 30100100, 96707552, 44008534, 1036215, 44000110, 44032350, 30108911, 2000431, 97800192, 1203083
eMolecules: 531004, 490833
Enolase via KEGG (EFI): C00408_2
Molport: MolPort-002-498-081
Scientific Exchange (make on demand): Z-001864...250 total

ref: mol2, SDF, SMILES, flexibase
-1.22,-1.32,-38.28,2,3,0, 129.159, 1

Similar to: 39294163, 39294165,
157014
 
#60

ChemMol: 44004062, 44032350, 30100100, 44008534, 44020903, 30105452, 97602820, 1203083, 30110557, 2000431, 30104522, 97800988, 1036215, 44014824, 96707641
eMolecules: 531004
Enolase via KEGG (EFI): C00408_1
Scientific Exchange (make on demand): Z-001864
A&J Pharmtech: AJ-00778...234 total

ref: mol2, SDF, SMILES, flexibase
-1.22,-1.32,-38.3,2,3,0, 129.159, 1

Similar to: 39294163, 39294165,
895466
 
#61

ChemMol: 97800505, 83603457, 44022074
eMolecules: 505008
Enolase via KEGG (EFI): C01026_1
Molport: MolPort-001-792-053
Scientific Exchange (make on demand): F-443214...192 total

ref: mol2, SDF, SMILES, flexibase
-1.32,1.33,-37.91,1,3,0, 103.121, 2

Similar to: 1532728,
40164193
 
#62

Bovine Metabolome: BMDB00138
HMDB Endogenous: HMDB00138
HMDB Food: HMDB00138
HMDB Microbe: HMDB00138
Human Metabolome Database: HMDB00138...9 total

ref: mol2, SDF, SMILES, flexibase
1.53,2.84,-48.24,4,7,-1, 464.623, 6

Similar to: 3914812, 4096732, 8143774, 8551808, 8551816, ... 9 in total.
8143774
 
#63

TCM Database @ Taiwan: tcm03_003488
Acros Organics: 36946
BioSynth: G-5270
IBScreen NP: STOCK1N-17323
Prestwick Chemical: 521...63 total

ref: mol2, SDF, SMILES, flexibase
1.52,-6.46,-49.04,4,7,-1, 464.623, 6

Similar to: 26382648, 33972584, 33972585, 39945447, 39945448, ... 22 in total.
83860
 
#64

ChemMol: 97800229, 44001787, 96700100, 30100987, 1036422
eMolecules: 509953, 1938117
Enolase via KEGG (EFI): C00954_1
Molport: MolPort-002-111-389, MolPort-023-221-873
Scientific Exchange (make on demand): F-249376...218 total

ref: mol2, SDF, SMILES, flexibase
1.51,4.98,-52.45,1,3,-1, 174.179, 2

Similar to: 5344554, 6117918, 33753555, 39119667, 39119673, ... 9 in total.
901485
 
#65

ChemMol: 44022388, 30101482, 30112605
eMolecules: 494845
Molport: MolPort-001-780-024, MolPort-002-498-107
TCM Database @ Taiwan: tcm03_006803
Acros Organics: 18973...174 total

ref: mol2, SDF, SMILES, flexibase
0.53,5.41,-45.31,0,3,-1, 163.152, 3

Similar to: 32008511, 32008513, 34436799, 37115664, ... 4 in total.
1532519
 
#66

ChemMol: 44003030, 30104736, 44004213
DiPeptides (Hao): Oxoglutarate
eMolecules: 1967682, 530280
Enolase EN-EFI: Oxoglutarate
Enolase via KEGG (EFI): C00026_1...295 total

ref: mol2, SDF, SMILES, flexibase
-1.48,4.22,-95.01,0,5,-2, 144.082, 4

Similar to: 1532655, 1529524,
388462
 
#67

ChemMol: 98000502, 83602434
Enolase via KEGG (EFI): C07086_1
Molport: MolPort-001-002-105
Scientific Exchange (make on demand): M-142702
TCM Database @ Taiwan: tcm03_006771...442 total

ref: mol2, SDF, SMILES, flexibase
1.36,5.83,-45.31,0,2,-1, 135.142, 2

Similar to: 34467133, 34565405, 39120413, 39368507, ... 4 in total.
895087
 
#68

ChemMol: 83600260
eMolecules: 475328
Enolase via KEGG (EFI): C00163_1
Molport: MolPort-000-871-576
TCM Database @ Taiwan: tcm03_007049...852 total

ref: mol2, SDF, SMILES, flexibase
0.44,2.85,-42.61,0,2,-1, 73.071, 1
1532517
 
#69

ChemMol: 44013962, 44006060
eMolecules: 478132
TCM Database @ Taiwan: tcm03_007173, 45048
Acros Organics: 13214
AK Scientific: I876...331 total

ref: mol2, SDF, SMILES, flexibase
-0.90,2.73,-41.42,0,3,-1, 87.054, 1
895030
 
#70

eMolecules: 481572
Enolase via KEGG (EFI): C00042_1
TCM Database @ Taiwan: 26056, tcm03_007963
Acros Organics: 15874, 20874, 21955
AK Scientific: I847...840 total

ref: mol2, SDF, SMILES, flexibase
-0.65,3.54,-101.06,0,4,-2, 116.072, 3
mid: mol2, SDF, SMILES, flexibase
-0.65,1.56,-42.51,1,4,-1, 117.08, 3
156346
 
#71

ChemMol: 30201052, 44012553
Enolase via KEGG (EFI): C11457_1
AKOS: AKOS000172844
Aldrich CPR: PH011597|ALDRICH
Alfa-Aesar: L01279...70 total

ref: mol2, SDF, SMILES, flexibase
1.38,2.87,-47.31,1,3,-1, 165.168, 3

Similar to: 6091356,
389562
 
#72

Enolase via KEGG (EFI): C02504_2
Sigma Aldrich (Building Blocks): 333115|ALDRICH
Tractus: TRA0051419
Biocyc via PubChem: 3-CARBOXY-3-HYDROXY-ISOCAPROATE
BMRB via PubChem: bmse001025...32 total

ref: mol2, SDF, SMILES, flexibase
-0.38,-0.86,-103.93,1,5,-2, 174.152, 4
388044
 
#73

ChemMol: 30201062
eMolecules: 477769
Enolase via KEGG (EFI): C10447_1
Molport: MolPort-001-790-947
Scientific Exchange (make on demand): F-393705...67 total

ref: mol2, SDF, SMILES, flexibase
0.91,0.8,-48.42,2,4,-1, 181.167, 3

Similar to: 32149018,
389528
 
#74

ChemMol: 83601059
Enolase via KEGG (EFI): C00815_1
Aldrich CPR: R278513|ALDRICH
BroadPharm: BP-12905
Element Store BB: b2star-6236-10-8...63 total

ref: mol2, SDF, SMILES, flexibase
-1.12,-1.5,-117.07,1,5,-2, 146.098, 3

Similar to: 5157329, 6561882, 6561887, 14455109, 21297789, ... 7 in total.
389529
 
#75

Enolase via KEGG (EFI): C00815_2
Ark Pharm Building Blocks: AK110069
BePharm Building Blocks: B227903
Chembo Pharma: KB-211206
Element Store BB: b2star-6236-10-8...58 total

ref: mol2, SDF, SMILES, flexibase
-1.12,-1.46,-102.08,1,5,-2, 146.098, 3

Similar to: 5157329, 6561882, 6561887, 14455109, 21297789, ... 7 in total.
265002
 
#76

eMolecules: 505346
Molport: MolPort-000-869-425
Scientific Exchange (make on demand): POD_74/0303
AK Scientific: 5742AE
AKOS: AKOS000264526...44 total

ref: mol2, SDF, SMILES, flexibase
-1.28,-0.84,-45.35,1,5,-1, 168.128, 3

Similar to: 6093491,
395673
 
#77

ChemMol: 30106170, 44005175
Enolase via KEGG (EFI): C05593_1
Molport: MolPort-001-757-019
Acorn PharmaTech: ACN-S003527
Acros Organics: 12170...82 total

ref: mol2, SDF, SMILES, flexibase
0.86,2.07,-48.56,1,3,-1, 151.141, 2

Similar to: 6520510,
338275
 
#78

ChemMol: 30101703, 98000387, 1203363, 83600740, 44034122
eMolecules: 533218
Molport: MolPort-000-871-610
Scientific Exchange (make on demand): F-452085
TCM Database @ Taiwan: 46318...165 total

ref: mol2, SDF, SMILES, flexibase
1.19,2.2,-46.94,1,4,-1, 167.14, 2

Similar to: 39348700,
332752
 
#79

ChemMol: 98000435, 30101249, 44009267, 1202712
eMolecules: 490868
Molport: MolPort-000-871-606
Scientific Exchange (make on demand): POD_20/0707
TCM Database @ Taiwan: 46313...428 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.22,-47.43,1,3,-1, 137.114, 1
402968
 
#80

ChemMol: 44024242, 97602454, 44013875
Enolase via KEGG (EFI): C01087_1
AK Scientific: 0824AA
Angene Building Blocks: AGN-PC-0OSDIW
Anward: ANW-58356...75 total

ref: mol2, SDF, SMILES, flexibase
-1.30,-1.9,-101.77,1,5,-2, 146.098, 4
12494183
 
#81

Bovine Metabolome: BMDB00631
Food Database: FDB022152
HMDB Endogenous: HMDB00631
HMDB Food: HMDB00631
HMDB Microbe: HMDB00631...13 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.96,-45.25,3,6,-1, 448.624, 6

Similar to: 2018379, 3914812, 4096526, 4096729, 4096730, ... 9 in total.
12494177
 
#82

Bovine Metabolome: BMDB00631
Food Database: FDB022152
HMDB Endogenous: HMDB00631
HMDB Food: HMDB00631
HMDB Microbe: HMDB00631...10 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.96,-44.98,3,6,-1, 448.624, 6

Similar to: 2018379, 3914812, 4096526, 4096729, 4096730, ... 9 in total.
38140913
 
#83

Bovine Metabolome: BMDB00631
Food Database: FDB022152
HMDB Endogenous: HMDB00631
HMDB Food: HMDB00631
HMDB Microbe: HMDB00631...11 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.88,-45.13,3,6,-1, 448.624, 6
40164283
 
#84

Bovine Metabolome: BMDB00631
Food Database: FDB022152
HMDB Endogenous: HMDB00631
HMDB Food: HMDB00631
HMDB Microbe: HMDB00631...10 total

ref: mol2, SDF, SMILES, flexibase
2.44,6.31,-45.86,3,6,-1, 448.624, 6

Similar to: 3914812, 4096732, 8143774, 8551808, 8551816, ... 9 in total.
4096732
 
#85

Ark Pharm Building Blocks: AK116894
Bovine Metabolome: BMDB00637
Collaborative Drug Discovery: 1034744
Food Database: FDB022157
HMDB Endogenous: HMDB00637...20 total

ref: mol2, SDF, SMILES, flexibase
2.44,-4.66,-47.7,3,6,-1, 448.624, 6

Similar to: 4096740, 8143774, 8551805, 8551806, 8551807, ... 57 in total.
8551808
 
#86

Ark Pharm Building Blocks: AK116894
Bovine Metabolome: BMDB00637
Food Database: FDB022157
HMDB Endogenous: HMDB00637
HMDB Food: HMDB00637...14 total

ref: mol2, SDF, SMILES, flexibase
2.44,-3.6,-45.57,3,6,-1, 448.624, 6

Similar to: 26382648, 33972584, 33972585, 39945447, 39945448, ... 22 in total.
40164285
 
#87

Ark Pharm Building Blocks: AK116894
Bovine Metabolome: BMDB00637
Food Database: FDB022157
HMDB Endogenous: HMDB00637
HMDB Food: HMDB00637...13 total

ref: mol2, SDF, SMILES, flexibase
2.44,6.04,-44.88,3,6,-1, 448.624, 6

Similar to: 3914812, 4096732, 8143774, 8551808, 8551816, ... 9 in total.
40164286
 
#88

Ark Pharm Building Blocks: AK116894
Bovine Metabolome: BMDB00637
Food Database: FDB022157
HMDB Endogenous: HMDB00637
HMDB Food: HMDB00637...13 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.75,-46.9,3,6,-1, 448.624, 6

Similar to: 3914812, 4096732, 8143774, 8551808, 8551816, ... 9 in total.
901329
 
#89

ChemMol: 30108690, 97602889, 44003636, 30201043, 44011395
eMolecules: 476617
Enolase via KEGG (EFI): C02261_1
Molport: MolPort-001-771-110
Scientific Exchange (make on demand): F-437318...219 total

ref: mol2, SDF, SMILES, flexibase
-2.16,-2.04,-42.88,3,3,0, 103.121, 2
388706
 
#90

eMolecules: 515060
Enolase via KEGG (EFI): C00489_1
Molport: MolPort-001-759-254
TCM Database @ Taiwan: tcm03_003470
UEFS Natural Products: uefs-41...324 total

ref: mol2, SDF, SMILES, flexibase
-0.15,2.5,-104.02,0,4,-2, 130.099, 4
407031
 
#91

ChemMol: 1030753
eMolecules: 489311
Enolase via KEGG (EFI): C03264_2
Molport: MolPort-002-344-095
Scientific Exchange (make on demand): F-393706...99 total

ref: mol2, SDF, SMILES, flexibase
0.57,1.54,-43.91,1,3,-1, 131.151, 3
407032
 
#92

eMolecules: 489311
Enolase via KEGG (EFI): C03264_1
Molport: MolPort-002-344-095
Scientific Exchange (make on demand): F-393706
AK Scientific: Y0518...93 total

ref: mol2, SDF, SMILES, flexibase
0.57,1.52,-43.91,1,3,-1, 131.151, 3
164777
 
#93

ChemMol: 30110696, 44010205, 83600879
eMolecules: 521509
Enolase via KEGG (EFI): C05852_1
TCM Database @ Taiwan: tcm03_004148
Acros Organics: 12169...131 total

ref: mol2, SDF, SMILES, flexibase
1.30,2.13,-51.49,1,3,-1, 151.141, 2
1997119
 
#94

eMolecules: 539649
AK Scientific: 2355AB
Alfa-Aesar: A17079
Anward: ANW-58467
Ark Pharm Building Blocks: AK-81568...57 total

ref: mol2, SDF, SMILES, flexibase
-0.80,0.73,-51.25,1,5,-1, 212.206, 2

Similar to: 31708312,
6036201
 
#95

AK Scientific: 1820AB
Ark Pharm Building Blocks: AK121803
Tetrahedron Building Blocks: TS71980
Toronto Research Chemicals: L469200
BindingDB.org: 50375588...34 total

ref: mol2, SDF, SMILES, flexibase
3.36,-2.25,-45.08,2,5,-1, 432.625, 6

Similar to: 44699684, 5275183, 5275184, 5276009, 5276010, ... 5 in total.
895452
 
#96

Enolase via KEGG (EFI): C01013_1
AK Scientific: U576
Aldrich CPR: CDS000335|ALDRICH
Angene Building Blocks: AGN-PC-0JL8AB
Anward: ANW-43920...142 total

ref: mol2, SDF, SMILES, flexibase
-0.80,-1.39,-43.47,1,3,-1, 89.07, 2
895711
 
#97

ChemMol: 30112920
Molport: MolPort-001-792-014
Scientific Exchange (make on demand): F-278722
TCM Database @ Taiwan: tcm03_004157
Acros Organics: 15130...75 total

ref: mol2, SDF, SMILES, flexibase
0.05,2.55,-46.12,1,4,-1, 179.151, 3

Similar to: 34436848, 34436850, 38265610,
13542524
 
#98

AK Scientific: 9870AB
American Custom Chemicals Corp.: SHG0000615
Sigma Aldrich (Building Blocks): 06863|SIGMA
Toronto Research Chemicals: G679550
BindingDB.org: 50375586...24 total

ref: mol2, SDF, SMILES, flexibase
2.44,4.79,-46.81,3,6,-1, 448.624, 6
1532805
 
#99

ChemMol: 80101338
Enolase via KEGG (EFI): C00989_1
Scientific Exchange Building Blocks: F-434693
American Custom Chemicals Corp.: API0014398
Chembo Pharma: KB-60486...162 total

ref: mol2, SDF, SMILES, flexibase
-0.53,-0.64,-47.34,1,3,-1, 103.097, 3
97685
 
#100

eMolecules: 478735
Enolase via KEGG (EFI): C01586_1
Scientific Exchange (make on demand): POD_32/0213
TCM Database @ Taiwan: tcm03_003857
Acros Organics: 15027...247 total

ref: mol2, SDF, SMILES, flexibase
-0.54,3.64,-43.67,1,4,-1, 178.167, 3
hi: mol2, SDF, SMILES, flexibase
0.81,3.49,-50.18,6,8,1, 408.461, 4

Similar to: 5158038,

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 749 ) limit 0,100

Smiles were