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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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32822248
 
#1

Bovine Metabolome: BMDB10396
CSF Metabolome SMPDB: HMDB10396
HMDB Endogenous: HMDB10396
HMDB Food: HMDB10396
Human Metabolome Database: HMDB10396...6 total

13544270
 
#2

Bovine Metabolome: BMDB10395
ChEBI: CHEBI:74344
CSF Metabolome SMPDB: HMDB10395
HMDB Endogenous: HMDB10395
HMDB Food: HMDB10395...8 total


Similar to: 33822418, 33822419, 33822420,
32822179
 
#3

Biocyc via PubChem: CPD-8345
Bovine Metabolome: BMDB10384
ChEBI: CHEBI:73858
ChEMBL12: CHEMBL1234064
CSF Metabolome SMPDB: HMDB10384...14 total

96014307
 
#4

Bovine Metabolome: BMDB10366
CSF Metabolome SMPDB: HMDB10366
ref: mol2, SDF, SMILES, flexibase
-5.81,-16.67,-106.56,12,25,-2, 774.635, 12
96014306
 
#5

Bovine Metabolome: BMDB10366
CSF Metabolome SMPDB: HMDB10366
ref: mol2, SDF, SMILES, flexibase
-5.81,-15.74,-105.14,12,25,-2, 774.635, 12
96014305
 
#6

Bovine Metabolome: BMDB10366
CSF Metabolome SMPDB: HMDB10366
ref: mol2, SDF, SMILES, flexibase
-5.81,-17.6,-116.85,12,25,-2, 774.635, 12
96014304
 
#7

Bovine Metabolome: BMDB10366
CSF Metabolome SMPDB: HMDB10366
ref: mol2, SDF, SMILES, flexibase
-5.81,-16.67,-114.51,12,25,-2, 774.635, 12
12496497
 
#8

eMolecules: 48598422
Molport: MolPort-019-869-427
Chembo Pharma: KB-221937
Enamine Building Blocks: EN300-152418
Bovine Metabolome: BMDB04988...13 total

ref: mol2, SDF, SMILES, flexibase
-1.18,4.01,-48.87,0,4,-1, 139.134, 2
mid: mol2, SDF, SMILES, flexibase
-1.18,4.53,-50.01,1,4,0, 140.142, 2
25722461
 
#9

Enolase via KEGG (EFI): C05828_1
AK Scientific: 2304AB
Anward: ANW-62010
Ark Pharm Building Blocks: AK102567
BePharm Building Blocks: B234106...25 total

95953048
 
#10

Ark Pharm Building Blocks: AK-68417
BioSynth: W-203120
Chembo Pharma: KB-228156
TimTec Building Blocks: SBB056898
Tractus: TRA0069885...13 total

18168715
 
#11

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.
56870805
 
#12

BioSynth: W-201349
ZereneX Building Blocks: ZXC002386
AKOS BB (make-on-demand): AKOS015969076
Bovine Metabolome: BMDB01396
CSF Metabolome SMPDB: HMDB01396...29 total

ref: mol2, SDF, SMILES, flexibase
-2.42,4.8,-137.63,6,13,-2, 457.447, 9
mid: mol2, SDF, SMILES, flexibase
-2.42,4.84,-142.05,7,13,-1, 458.455, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,2.92,-94.98,8,13,0, 459.463, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,3.61,-84.62,8,13,0, 459.463, 9

Similar to: 17107360,
72121206
 
#13

Bovine Metabolome: BMDB01348
ChEMBL19: CHEMBL1609656
CSF Metabolome SMPDB: HMDB01348
HMDB Endogenous: HMDB01348
HMDB Food: HMDB01348...9 total

67267160
 
#14

Amidohydrolase AH-EFI: Adenosinediphosphate
Haloacid dehalogenase HAD-EFI: 12360703
Molport: MolPort-020-004-587
Acros Organics: 16467
AK Scientific: V0064...95 total

hi: mol2, SDF, SMILES, flexibase
3.79,9.28,-36.43,1,2,1, 233.379, 3
12402867
 
#15

Haloacid dehalogenase HAD-EFI: 12402869
Acros Organics: 22625
BioSynth: W-202497, W-105537
Chembo Pharma: KB-52318
Sigma Aldrich (Building Blocks): G3776|SIGMA...33 total


Similar to: 12402869, 39958534, 39958535, 39958536, 39958537, ... 9 in total.
12402868
 
#16

Haloacid dehalogenase HAD-EFI: 12402869
BindingDB.org: 81874, 50192447
Biocyc via PubChem: GTP
Bovine Metabolome: BMDB01273
ChEBI: CHEBI:15996...24 total

ref: mol2, SDF, SMILES, flexibase
-4.22,-7.52,-185.64,6,19,-3, 520.157, 8

Similar to: 12402869, 39958534, 39958535, 39958536, 39958537, ... 9 in total.
60094177
 
#17

Haloacid dehalogenase HAD-EFI: 12402869
Acros Organics: 22625
BioSynth: W-105537, W-202497
Chembo Pharma: KB-52318
Sigma Aldrich (Building Blocks): G3776|SIGMA...34 total

ref: mol2, SDF, SMILES, flexibase
-4.22,-7.52,-180.6,6,19,-3, 520.157, 8
mid: mol2, SDF, SMILES, flexibase
-4.53,-4.25,-237.08,6,19,-3, 520.157, 8
12494960
 
#18

Amidohydrolase AH-EFI: Guanosinediphosphate
Haloacid dehalogenase HAD-EFI: 8215481
Molport: MolPort-020-004-657
AK Scientific: Z6067
Apexmol Building Blocks: AM83925...46 total


Similar to: 31308647, 31308651, 34358557, 34541308, 35000839, ... 11 in total.
13585233
 
#19

ChemMol: 2100078, 51503108
American Custom Chemicals Corp.: CCH0008091
Anward: ANW-53224
BePharm Building Blocks: B18900
BioSynth: W-203533...89 total

ref: mol2, SDF, SMILES, flexibase
-1.15,-4.44,-11.69,7,8,0, 241.251, 2
ref: mol2, SDF, SMILES, flexibase
-1.15,-5.1,-20.07,7,8,0, 241.251, 2

Similar to: 33789910, 34219102, 34219103, 34219104, 34219105, ... 8 in total.
8552145
 
#20

AK Scientific: X6985, K606
Alfa-Aesar: B21583, B21622
American Custom Chemicals Corp.: CRB0000873
Anward: ANW-21093, ANW-23668, ANW-33611
Apexmol Building Blocks: AM83960...132 total

ref: mol2, SDF, SMILES, flexibase
-2.22,-5.75,-11.37,4,5,0, 150.13, 4
ref: mol2, SDF, SMILES, flexibase
-2.22,-7.36,-11.74,4,5,0, 150.13, 4
hi: mol2, SDF, SMILES, flexibase
-3.07,-5.83,-55.66,3,5,-1, 149.122, 4

Similar to: 18168715, 33985865, 902219, 902225, ... 4 in total.
4261765
 
#21

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: L924...107 total

12402864
 
#22

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: X5319...120 total

12402865
 
#23

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: L924...120 total

1842903
 
#24

Angene Building Blocks: AGN-PC-0R3VLI
BioSynth: G-4205
Element Store BB: b2star-64681-08-9
FineTech: FT-0627676
Alfa Chemistry (Depleted): ACM4217849...17 total

17860482
 
#25

ChemMol: 30102577, 44002722
eMolecules: 731007, 206922301
Molport: MolPort-002-507-101, MolPort-001-510-438
Scientific Exchange (make on demand): POD_10/0455
Acros Organics: 22727...177 total

ref: mol2, SDF, SMILES, flexibase
-0.93,-9.04,-49.11,4,6,-1, 175.116, 2
mid: mol2, SDF, SMILES, flexibase
-2.12,-8.67,-11.26,4,6,0, 176.124, 2
mid: mol2, SDF, SMILES, flexibase
-2.12,-8.67,-10.69,4,6,0, 176.124, 2
mid: mol2, SDF, SMILES, flexibase
-4.12,-5.53,-10.94,3,6,0, 176.124, 2
mid: mol2, SDF, SMILES, flexibase
-2.69,-6.42,-12.19,3,6,0, 175.116, 2
mid: mol2, SDF, SMILES, flexibase
-4.12,-5.3,-11.31,3,6,0, 176.124, 2
hi: mol2, SDF, SMILES, flexibase
-4.12,-4.63,-15.58,2,6,0, 175.116, 2
hi: mol2, SDF, SMILES, flexibase
-4.12,-4.85,-15.15,2,6,0, 175.116, 2
hi: mol2, SDF, SMILES, flexibase
-0.93,-8.03,-140.15,3,6,-2, 174.108, 2
lo: mol2, SDF, SMILES, flexibase
-4.12,-6.02,-10.85,3,6,0, 176.124, 2
lo: mol2, SDF, SMILES, flexibase
-4.12,-5.56,-13.52,3,6,0, 176.124, 2
lo: mol2, SDF, SMILES, flexibase
-4.12,-6.37,-12.22,3,6,0, 176.124, 2

Similar to: 39017381,
4228257
 
#26

ChemMol: 44007366
Boerchem Pharmatech BB: BC222087
Bosche Scientific: T19180
Element Store BB: b2star-69056-38-8
Tractus: TRA0003976...45 total

ref: mol2, SDF, SMILES, flexibase
-1.15,-5.14,-22.67,7,8,0, 241.251, 2

Similar to: 4228258, 13585233, 13815072, 13815079, 18059633, ... 15 in total.
2539827
 
#27

ChemMol: 44007366, 2100078
Boerchem Pharmatech BB: BC222087
Bosche Scientific: T19180
Cayman Chemical: 81880
Element Store BB: b2star-69056-38-8...58 total

ref: mol2, SDF, SMILES, flexibase
-1.15,-5.25,-21.45,7,8,0, 241.251, 2

Similar to: 4228257, 4228258, 33789910, 34219102, 34219103, ... 10 in total.
85590483
 
#28

CSF Metabolome SMPDB: HMDB13467
HMDB Endogenous: HMDB13467
HMDB Food: HMDB13467
Human Metabolome Database: HMDB13467
ref: mol2, SDF, SMILES, flexibase
8.68,26.46,-60.19,3,9,0, 799.172, 40
85590478
 
#29

CSF Metabolome SMPDB: HMDB13467
HMDB Endogenous: HMDB13467
HMDB Food: HMDB13467
Human Metabolome Database: HMDB13467
ref: mol2, SDF, SMILES, flexibase
8.68,26.46,-60.12,3,9,0, 799.172, 40
85590473
 
#30

CSF Metabolome SMPDB: HMDB13466
HMDB Endogenous: HMDB13466
HMDB Food: HMDB13466
Human Metabolome Database: HMDB13466
ref: mol2, SDF, SMILES, flexibase
8.99,26.76,-60.17,3,9,0, 801.188, 41
85590466
 
#31

CSF Metabolome SMPDB: HMDB13466
HMDB Endogenous: HMDB13466
HMDB Food: HMDB13466
Human Metabolome Database: HMDB13466
ref: mol2, SDF, SMILES, flexibase
8.99,26.76,-59.96,3,9,0, 801.188, 41
85590463
 
#32

CSF Metabolome SMPDB: HMDB13465
HMDB Endogenous: HMDB13465
HMDB Food: HMDB13465
Human Metabolome Database: HMDB13465
Urine Metabolome: HMDB13465...5 total

ref: mol2, SDF, SMILES, flexibase
8.85,27.32,-56.95,2,8,0, 755.119, 38
85590460
 
#33

CSF Metabolome SMPDB: HMDB13464
HMDB Endogenous: HMDB13464
HMDB Food: HMDB13464
Human Metabolome Database: HMDB13464
Urine Metabolome: HMDB13464...5 total

ref: mol2, SDF, SMILES, flexibase
8.27,24.56,-57.38,2,8,0, 703.043, 36
85590456
 
#34

CSF Metabolome SMPDB: HMDB13463
HMDB Endogenous: HMDB13463
HMDB Food: HMDB13463
Human Metabolome Database: HMDB13463
Urine Metabolome: HMDB13463...5 total

ref: mol2, SDF, SMILES, flexibase
6.67,22.07,-60.4,3,9,0, 717.026, 35
85590446
 
#35

CSF Metabolome SMPDB: HMDB13463
HMDB Endogenous: HMDB13463
HMDB Food: HMDB13463
Human Metabolome Database: HMDB13463
Urine Metabolome: HMDB13463...5 total

ref: mol2, SDF, SMILES, flexibase
6.67,22.06,-60.18,3,9,0, 717.026, 35
85590439
 
#36

CSF Metabolome SMPDB: HMDB13462
HMDB Endogenous: HMDB13462
HMDB Food: HMDB13462
Human Metabolome Database: HMDB13462
Urine Metabolome: HMDB13462...5 total

ref: mol2, SDF, SMILES, flexibase
5.66,20.51,-60.46,3,9,0, 688.972, 33
85590433
 
#37

CSF Metabolome SMPDB: HMDB13462
HMDB Endogenous: HMDB13462
HMDB Food: HMDB13462
Human Metabolome Database: HMDB13462
Urine Metabolome: HMDB13462...5 total

ref: mol2, SDF, SMILES, flexibase
5.66,20.52,-60.26,3,9,0, 688.972, 33
13515547
 
#38

Indofine: 71-1735
CSF Metabolome SMPDB: HMDB13128
Food Database: FDB029301
HMDB Endogenous: HMDB13128
HMDB Food: HMDB13128...14 total

ref: mol2, SDF, SMILES, flexibase
-2.63,9.32,-60.23,0,5,0, 245.319, 9
85589570
 
#39

CSF Metabolome SMPDB: HMDB13125
Food Database: FDB029298
HMDB Endogenous: HMDB13125
HMDB Food: HMDB13125
Human Metabolome Database: HMDB13125...8 total

ref: mol2, SDF, SMILES, flexibase
-4.66,5.35,-46.07,1,6,0, 233.264, 8
85589564
 
#40

Collaborative Drug Discovery: 1021185
CSF Metabolome SMPDB: HMDB13122
HMDB Endogenous: HMDB13122
HMDB Food: HMDB13122
Human Metabolome Database: HMDB13122...8 total

ref: mol2, SDF, SMILES, flexibase
3.10,16.78,-48.2,1,7,0, 507.693, 25
85587765
 
#41

Bovine Metabolome: BMDB12107
ChEBI: CHEBI:74535
CSF Metabolome SMPDB: HMDB12107
HMDB Endogenous: HMDB12107
HMDB Food: HMDB12107...6 total

ref: mol2, SDF, SMILES, flexibase
9.63,30.75,-56.68,2,8,0, 813.243, 43
85587749
 
#42

Bovine Metabolome: BMDB12101
CSF Metabolome SMPDB: HMDB12101
HMDB Endogenous: HMDB12101
HMDB Food: HMDB12101
Human Metabolome Database: HMDB12101...6 total

ref: mol2, SDF, SMILES, flexibase
8.72,26.06,-56.85,2,8,0, 729.081, 37
85587745
 
#43

Bovine Metabolome: BMDB12100
CSF Metabolome SMPDB: HMDB12100
HMDB Endogenous: HMDB12100
HMDB Food: HMDB12100
Human Metabolome Database: HMDB12100...6 total

ref: mol2, SDF, SMILES, flexibase
8.72,26.06,-56.77,2,8,0, 729.081, 37
2390999
 
#44

DiPeptides (Hao): L-GlutamicAcid_L-Glutamine_2
Enolase via KEGG (EFI): C03933_4
TCM Database @ Taiwan: tcm03_003462, 38446
Bachem: G-1930
BOC Sciences BB: 10148-81-9...25 total

ref: mol2, SDF, SMILES, flexibase
-4.85,-6.83,-102.87,6,9,-1, 274.253, 9

Similar to: 3651915, 4544971, 4544975, 4544977, 15721868, ... 17 in total.
4546338
 
#45

Enolase via KEGG (EFI): C04805_2
American Custom Chemicals Corp.: CHM0012449
Cayman Chemical: 34210
FineTech: FT-0604413
Tetrahedron Building Blocks: TS77249...48 total

ref: mol2, SDF, SMILES, flexibase
5.26,11.99,-45.99,1,3,-1, 319.465, 14

Similar to: 5819964, 13509261, 13509268, 33820501, 33838793, ... 9 in total.
40165303
 
#46

Bovine Metabolome: BMDB10409
CSF Metabolome SMPDB: HMDB10409
HMDB Endogenous: HMDB10409
HMDB Food: HMDB10409
Human Metabolome Database: HMDB10409...7 total

ref: mol2, SDF, SMILES, flexibase
5.72,13.1,-46.32,0,3,-1, 319.465, 14
lo: mol2, SDF, SMILES, flexibase
5.72,11.13,-8.53,1,3,0, 320.473, 14

Similar to: 4544315, 4544317, 4544319, 4544321, 4654965, ... 9 in total.
40165302
 
#47

Bovine Metabolome: BMDB10409
CSF Metabolome SMPDB: HMDB10409
HMDB Endogenous: HMDB10409
HMDB Food: HMDB10409
Human Metabolome Database: HMDB10409...7 total

ref: mol2, SDF, SMILES, flexibase
5.72,13.19,-45.95,0,3,-1, 319.465, 14
lo: mol2, SDF, SMILES, flexibase
5.72,11.22,-8.2,1,3,0, 320.473, 14

Similar to: 4544315, 4544317, 4544319, 4544321, 4654965, ... 9 in total.
40165301
 
#48

Bovine Metabolome: BMDB10409
CSF Metabolome SMPDB: HMDB10409
HMDB Endogenous: HMDB10409
HMDB Food: HMDB10409
Human Metabolome Database: HMDB10409...7 total

ref: mol2, SDF, SMILES, flexibase
5.72,13.19,-47.28,0,3,-1, 319.465, 14
lo: mol2, SDF, SMILES, flexibase
5.72,11.22,-8.93,1,3,0, 320.473, 14

Similar to: 4544315, 4544317, 4544319, 4544321, 4654965, ... 9 in total.
40165300
 
#49

Bovine Metabolome: BMDB10409
CSF Metabolome SMPDB: HMDB10409
HMDB Endogenous: HMDB10409
HMDB Food: HMDB10409
Human Metabolome Database: HMDB10409...7 total

ref: mol2, SDF, SMILES, flexibase
5.72,13.1,-46.95,0,3,-1, 319.465, 14
lo: mol2, SDF, SMILES, flexibase
5.72,11.14,-8.73,1,3,0, 320.473, 14

Similar to: 4544315, 4544317, 4544319, 4544321, 4654965, ... 9 in total.
40165290
 
#50

Bovine Metabolome: BMDB10396
CSF Metabolome SMPDB: HMDB10396
Food Database: FDB027547
HMDB Endogenous: HMDB10396
HMDB Food: HMDB10396...8 total

ref: mol2, SDF, SMILES, flexibase
0.82,17.71,-51.42,1,8,0, 543.682, 24

Similar to: 40165356, 44388373, 44405853, 49720650, 58632321, ... 14 in total.
33822418
 
#51

Bovine Metabolome: BMDB10395
ChEBI: CHEBI:74344
Collaborative Drug Discovery: 1021095
CSF Metabolome SMPDB: HMDB10395
Food Database: FDB027546...13 total

ref: mol2, SDF, SMILES, flexibase
1.11,17.7,-51.55,1,8,0, 543.682, 24

Similar to: 33822419, 33822420, 40165288,
32822175
 
#52

Biocyc via PubChem: CPD-8345
Bovine Metabolome: BMDB10384
ChEBI: CHEBI:73858
ChemDB: 7604648
Collaborative Drug Discovery: 1021073...18 total

ref: mol2, SDF, SMILES, flexibase
2.76,17.34,-50.58,1,8,0, 523.692, 26
31155577
 
#53

eMolecules: 1985209
Molport: MolPort-001-740-393
AnalytiCon Discovery NP: NP-000531
Biocyc via PubChem: CPD-8204
Bovine Metabolome: BMDB10223...23 total

ref: mol2, SDF, SMILES, flexibase
5.71,11.19,-45.24,1,3,-1, 295.443, 14
lo: mol2, SDF, SMILES, flexibase
5.71,9.21,-6.87,2,3,0, 296.451, 14
3871295
 
#54

eMolecules: 1985209
Molport: MolPort-001-740-393
TCM Database @ Taiwan: 30277
AnalytiCon Discovery NP: NP-000531
Biocyc via PubChem: CPD-8204...25 total

ref: mol2, SDF, SMILES, flexibase
5.71,10.97,-45.6,1,3,-1, 295.443, 14
lo: mol2, SDF, SMILES, flexibase
5.71,8.99,-7.16,2,3,0, 296.451, 14

Similar to: 4556502, 5820763, 8860435, 14494518, 14494521, ... 17 in total.
33822372
 
#55

Bovine Metabolome: BMDB10222
ChEBI: CHEBI:72785
Collaborative Drug Discovery: 1015777
CSF Metabolome SMPDB: HMDB10222
HMDB Endogenous: HMDB10222...9 total

ref: mol2, SDF, SMILES, flexibase
5.50,10.78,-47.2,1,3,-1, 319.465, 14

Similar to: 38792176, 4546433, 4546682, 4655431, 12496381, ... 10 in total.
33822371
 
#56

Bovine Metabolome: BMDB10222
ChEBI: CHEBI:72785
Collaborative Drug Discovery: 1015777
CSF Metabolome SMPDB: HMDB10222
Food Database: FDB027375...10 total

ref: mol2, SDF, SMILES, flexibase
5.50,10.78,-47.77,1,3,-1, 319.465, 14

Similar to: 33822372, 33822374, 33838752, 33838753, 33838803, ... 17 in total.
4629855
 
#57

Enolase via KEGG (EFI): C04577_1
Cayman Chemical: 34730
Tetrahedron Building Blocks: TS61430
BindingDB.org: 50025735
Biocyc via PubChem: 15-OXO-5811-CIS-13-TRANS-ICOSATETRAENO...26 total

ref: mol2, SDF, SMILES, flexibase
5.08,14.2,-48.93,0,3,-1, 317.449, 14
lo: mol2, SDF, SMILES, flexibase
5.08,12.23,-10.83,1,3,0, 318.457, 14

Similar to: 5820084, 33822331, 33838764, 39031959, ... 4 in total.
85585122
 
#58

Sigma Aldrich (Building Blocks): 91553|SIGMA
Biocyc via PubChem: CPD66-42
Bovine Metabolome: BMDB10169
CSF Metabolome SMPDB: HMDB10169
HMDB Endogenous: HMDB10169...8 total

ref: mol2, SDF, SMILES, flexibase
8.43,24.67,-56.34,2,8,0, 703.043, 36
40164523
 
#59

Bovine Metabolome: BMDB06730
CSF Metabolome SMPDB: HMDB06730
Food Database: FDB024046
HMDB Endogenous: HMDB06730
Human Metabolome Database: HMDB06730...7 total

ref: mol2, SDF, SMILES, flexibase
-5.09,-5.31,-155.82,12,18,-1, 608.585, 18
hi: mol2, SDF, SMILES, flexibase
-5.09,-5.6,-124.25,11,18,-2, 607.577, 18
lo: mol2, SDF, SMILES, flexibase
-5.09,-7.29,-102.62,13,18,0, 609.593, 18
lo: mol2, SDF, SMILES, flexibase
-5.09,-7.23,-101.27,13,18,0, 609.593, 18
4899435
 
#60

Bachem: G-3025
BOC Sciences BB: 18684-24-7
Bosche Scientific: P10217
Tetrahedron Building Blocks: TS52633
Bovine Metabolome: BMDB06695...26 total

ref: mol2, SDF, SMILES, flexibase
-2.90,-4.79,-73.46,3,6,0, 228.248, 2

Similar to: 4899751, 5273580, 5273581, 5273582, 13521513, ... 26 in total.
12496734
 
#61

Bovine Metabolome: BMDB06111
Collaborative Drug Discovery: 1015782
CSF Metabolome SMPDB: HMDB06111
HMDB Endogenous: HMDB06111
HMDB Food: HMDB06111...12 total

ref: mol2, SDF, SMILES, flexibase
5.50,10.83,-47.53,1,3,-1, 319.465, 14

Similar to: 31500007, 33838754, 33838755, 33838801, 33838802, ... 14 in total.
12496745
 
#62

Bovine Metabolome: BMDB06111
Collaborative Drug Discovery: 1015782
CSF Metabolome SMPDB: HMDB06111
HMDB Endogenous: HMDB06111
HMDB Food: HMDB06111...14 total

ref: mol2, SDF, SMILES, flexibase
5.50,10.83,-47.69,1,3,-1, 319.465, 14

Similar to: 4546442, 4546585, 4546658, 4655428, 5510499, ... 9 in total.
4632132
 
#63

Enolase via KEGG (EFI): C05950_2
American Custom Chemicals Corp.: LIP0001397
Cayman Chemical: 20180
Sigma Aldrich (Building Blocks): C6046|SIGMA
Tetrahedron Building Blocks: TS79812...24 total

ref: mol2, SDF, SMILES, flexibase
2.70,8.56,-103.97,2,6,-2, 364.438, 15

Similar to: 5828454, 33820494, 33838777, 33838778, 33838779, ... 25 in total.
901736
 
#64

ChemMol: 44009174, 96705420, 44001916, 30109657, 97300882, 97602686, 42302512
eMolecules: 206842824, 8294108
Enolase via KEGG (EFI): C01015_4
Molport: MolPort-001-788-369, MolPort-019-918-633
Acorn PharmaTech: ACN-S002988...219 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-4.33,-44.14,3,4,0, 131.131, 1
hi: mol2, SDF, SMILES, flexibase
1.50,7.8,-23.77,2,9,0, 505.497, 7

Similar to: 5851414, 34602211, 36466335,
901791
 
#65

ChemMol: 83603115, 42302512, 44002794, 30202563, 97800987, 97602687, 1201634
eMolecules: 521697, 8294108, 206842824
Enolase via KEGG (EFI): C01015_2
Molport: MolPort-001-788-369
Acros Organics: 12178...272 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-4.23,-42.31,3,4,0, 131.131, 1

Similar to: 5851414, 34602211, 36466335,
4655386
 
#66

Enolase via KEGG (EFI): C14748_1
Cayman Chemical: 90030
FineTech: FT-0610914
Sigma Aldrich (Building Blocks): H3023|SIGMA
Bovine Metabolome: BMDB05998...36 total

ref: mol2, SDF, SMILES, flexibase
4.89,10.67,-48.01,1,3,-1, 319.465, 15

Similar to: 12496648, 39381666,
1529568
 
#67

DiPeptides (Hao): L-Tyrosine_L-Arginine_1
Enolase EN-EFI: Tyr-Arg-S-S_NH2
Enolase via KEGG (EFI): C02993_4
Bachem: G-2450
Biocyc via PubChem: CPD-210...24 total

ref: mol2, SDF, SMILES, flexibase
-3.21,0.73,-96.18,10,9,1, 338.388, 10
mid: mol2, SDF, SMILES, flexibase
-3.21,0.46,-67.06,9,9,0, 337.38, 10

Similar to: 2516113, 8681609,
4027288
 
#68

ChemMol: 96700587
eMolecules: 491242, 29917770
Molport: MolPort-002-893-949, MolPort-002-511-865
TCM Database @ Taiwan: 45719, tcm03_007477
AK Scientific: 8890AB...88 total

ref: mol2, SDF, SMILES, flexibase
1.06,0.19,-45.11,4,3,1, 180.227, 0
mid: mol2, SDF, SMILES, flexibase
1.06,-1.12,-6.08,3,3,0, 179.219, 0

Similar to: 4262577, 39306691, 39306693, 39308547, 39308548, ... 7 in total.
4262577
 
#69

ChemMol: 96700587
eMolecules: 491242
Molport: MolPort-002-893-949
AK Scientific: 8890AB
Ark Pharm Building Blocks: AK117596...69 total

ref: mol2, SDF, SMILES, flexibase
1.06,0.2,-45.49,4,3,1, 180.227, 0

Similar to: 39306691, 39306693, 39308547, 39308548, 39308615, ... 7 in total.
14815728
 
#70

Enolase via KEGG (EFI): C14835_7
CSF Metabolome SMPDB: HMDB04710
Food Database: FDB023419
HMDB Endogenous: HMDB04710
HMDB Food: HMDB04710...8 total

ref: mol2, SDF, SMILES, flexibase
3.66,4.12,-48.65,3,5,-1, 329.457, 15
12496452
 
#71

Enolase via KEGG (EFI): C14829_2
American Custom Chemicals Corp.: CHM0125556
Cayman Chemical: 10009832
Alfa Chemistry (Depleted): ACM263399355
Biocyc via PubChem: CPD-13086...23 total

ref: mol2, SDF, SMILES, flexibase
4.81,6.89,-47.82,2,4,-1, 313.458, 15

Similar to: 12496457, 12496461, 12496465, 13336176, 33820389, ... 18 in total.
12496457
 
#72

Enolase via KEGG (EFI): C14829_4
American Custom Chemicals Corp.: CHM0125556
Cayman Chemical: 10009832, 10009994
Indofine: 14-1802-19b
Alfa Chemistry (Depleted): ACM263399355...25 total

ref: mol2, SDF, SMILES, flexibase
4.81,7.46,-47.76,2,4,-1, 313.458, 15

Similar to: 12496461, 12496465, 13336176, 33820389, 33820390, ... 13 in total.
12496461
 
#73

Enolase via KEGG (EFI): C14829_1
American Custom Chemicals Corp.: CHM0125556
Cayman Chemical: 10009832, 10009994
Tractus: TRA0046148
Alfa Chemistry (Depleted): ACM263399355...27 total

ref: mol2, SDF, SMILES, flexibase
4.81,7.46,-47.78,2,4,-1, 313.458, 15

Similar to: 12496465, 13336176, 33820389, 33820390, 33822318, ... 14 in total.
12496465
 
#74

Enolase via KEGG (EFI): C14829_3
American Custom Chemicals Corp.: CHM0125556
Cayman Chemical: 10009832, 10009994
Tractus: TRA0046148
Alfa Chemistry (Depleted): ACM263399355...26 total

ref: mol2, SDF, SMILES, flexibase
4.81,6.89,-47.67,2,4,-1, 313.458, 15

Similar to: 13336176, 33820389, 33820390, 33822318, 34028395, ... 12 in total.
12496439
 
#75

Enolase via KEGG (EFI): C14828_2
Cayman Chemical: 53400, 10009993
Bovine Metabolome: BMDB04704
ChEBI: CHEBI:72663
Collaborative Drug Discovery: 1014945...19 total

ref: mol2, SDF, SMILES, flexibase
4.81,6.89,-47.61,2,4,-1, 313.458, 15

Similar to: 12496441, 12496444, 12496448, 12496452, 12496457, ... 17 in total.
12496441
 
#76

Enolase via KEGG (EFI): C14828_4
Cayman Chemical: 53400
Bovine Metabolome: BMDB04704
ChEBI: CHEBI:72663
Collaborative Drug Discovery: 1014945...19 total

ref: mol2, SDF, SMILES, flexibase
4.81,7.45,-47.7,2,4,-1, 313.458, 15

Similar to: 12496444, 12496448, 12496452, 12496457, 12496461, ... 19 in total.
12496444
 
#77

Enolase via KEGG (EFI): C14828_1
Cayman Chemical: 10009993, 53400
Indofine: 14-1802-19a
Tetrahedron Building Blocks: TS76724
Bovine Metabolome: BMDB04704...24 total

ref: mol2, SDF, SMILES, flexibase
4.81,7.46,-47.74,2,4,-1, 313.458, 15

Similar to: 12496448, 12496452, 12496457, 12496461, 12496465, ... 19 in total.
12496448
 
#78

Enolase via KEGG (EFI): C14828_3
Cayman Chemical: 53400, 10009993
Bovine Metabolome: BMDB04704
ChEBI: CHEBI:72663
Collaborative Drug Discovery: 1014945...22 total

ref: mol2, SDF, SMILES, flexibase
4.81,6.89,-47.68,2,4,-1, 313.458, 15

Similar to: 12496452, 12496457, 12496461, 12496465, 13336176, ... 16 in total.
4097549
 
#79

Enolase via KEGG (EFI): C08368_3
Cayman Chemical: 52450
Indofine: 14-1802-16c
Biocyc via PubChem: CPD-10320
Bovine Metabolome: BMDB04702...33 total

ref: mol2, SDF, SMILES, flexibase
5.92,11.85,-46.17,0,3,-1, 295.443, 14
lo: mol2, SDF, SMILES, flexibase
5.92,9.88,-8.52,1,3,0, 296.451, 14

Similar to: 4544115, 4544118, 4544119, 4544121, 4726635, ... 32 in total.
4726637
 
#80

Enolase via KEGG (EFI): C08368_1
Cayman Chemical: 52450
Indofine: 14-1802-16a
Biocyc via PubChem: CPD-10320
Bovine Metabolome: BMDB04702...20 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.79,-47.86,0,3,-1, 295.443, 14

Similar to: 5820028, 5820033, 8860472, 8860473, 8860474, ... 25 in total.
4726636
 
#81

Enolase via KEGG (EFI): C08368_4
Cayman Chemical: 52450
Indofine: 14-1802-16c
Biocyc via PubChem: CPD-10320
Bovine Metabolome: BMDB04702...25 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.79,-48.1,0,3,-1, 295.443, 14

Similar to: 5820028, 5820033, 8860472, 8860473, 8860474, ... 28 in total.
4726635
 
#82

Enolase via KEGG (EFI): C08368_2
Cayman Chemical: 52450
Indofine: 14-1802-16a
Biocyc via PubChem: CPD-10320
Bovine Metabolome: BMDB04702...37 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.75,-48.24,0,3,-1, 295.443, 14

Similar to: 5820028, 5820033, 8860472, 8860473, 8860474, ... 28 in total.
8860475
 
#83

Enolase via KEGG (EFI): C14825_3
TCM Database @ Taiwan: tcm03_001639
Cayman Chemical: 10009995, 52400
Indofine: 14-1802-16c
Tetrahedron Building Blocks: TS35919...26 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.75,-48.21,0,3,-1, 295.443, 14

Similar to: 33845404, 33845405, 33845406,
8860474
 
#84

Enolase via KEGG (EFI): C14825_1
Cayman Chemical: 10009995, 52400
Indofine: 14-1802-16c, 14-1802-16d
Tetrahedron Building Blocks: TS35919
Bovine Metabolome: BMDB04701...21 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.79,-47.88,0,3,-1, 295.443, 14

Similar to: 8860475, 31356819, 31356822, 33820450, 33820451, ... 32 in total.
8860473
 
#85

Enolase via KEGG (EFI): C14825_4
Cayman Chemical: 10009995, 52400
Indofine: 14-1802-16d
Tetrahedron Building Blocks: TS35919
Bovine Metabolome: BMDB04701...22 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.79,-48.1,0,3,-1, 295.443, 14

Similar to: 8860474, 8860475, 31356819, 31356822, 33820450, ... 29 in total.
8860472
 
#86

Enolase via KEGG (EFI): C14825_2
Cayman Chemical: 52400
Indofine: 14-1802-16d
Tetrahedron Building Blocks: TS35919
Bovine Metabolome: BMDB04701...26 total

ref: mol2, SDF, SMILES, flexibase
5.92,11.85,-46.29,0,3,-1, 295.443, 14
lo: mol2, SDF, SMILES, flexibase
5.92,9.88,-8.36,1,3,0, 296.451, 14

Similar to: 8860473, 8860474, 8860475, 31356819, 31356822, ... 29 in total.
12496381
 
#87

Bovine Metabolome: BMDB04682
Collaborative Drug Discovery: 1015780
CSF Metabolome SMPDB: HMDB04682
HMDB Endogenous: HMDB04682
HMDB Food: HMDB04682...9 total

ref: mol2, SDF, SMILES, flexibase
5.50,10.84,-47.78,1,3,-1, 319.465, 14

Similar to: 14449783, 14449785, 14449787, 14449789, 33822371, ... 18 in total.
4546585
 
#88

Enolase via KEGG (EFI): C14776_2
Cayman Chemical: 34340, 34350
Sigma Aldrich (Building Blocks): H4019|SIGMA
Tetrahedron Building Blocks: TS77236
Bovine Metabolome: BMDB04679...28 total

ref: mol2, SDF, SMILES, flexibase
5.50,11.99,-44.97,1,3,-1, 319.465, 14
lo: mol2, SDF, SMILES, flexibase
5.50,10.02,-7.57,2,3,0, 320.473, 14

Similar to: 4546658, 4655428, 5510499, 12496528, 12496531, ... 15 in total.
4655401
 
#89

Enolase via KEGG (EFI): C14767_2
Cayman Chemical: 38400, 338410
Indofine: 14-1802-10b
Sigma Aldrich (Building Blocks): SML0503|SIGMA
Tetrahedron Building Blocks: TS35922...33 total

ref: mol2, SDF, SMILES, flexibase
5.71,11.05,-45.27,1,3,-1, 295.443, 14
lo: mol2, SDF, SMILES, flexibase
5.71,9.07,-6.85,2,3,0, 296.451, 14

Similar to: 5820763, 8860435, 14494518, 14494521, 14494562, ... 20 in total.
4655399
 
#90

eMolecules: 31704938
Enolase via KEGG (EFI): C14766_1
Molport: MolPort-001-740-394
American Custom Chemicals Corp.: CHM0237634
AnalytiCon Discovery NP: NP-013728...25 total

ref: mol2, SDF, SMILES, flexibase
5.52,12.3,-50.98,0,3,-1, 293.427, 14

Similar to: 5820086, 5820087, 5820219, 14500207, 33846091, ... 5 in total.
4655397
 
#91

Enolase via KEGG (EFI): C14762_2
Cayman Chemical: 338610, 38600
Element Store BB: b2star-29623-28-7
Indofine: 14-1802-3a
Sigma Aldrich (Building Blocks): H9146|SIGMA...43 total

ref: mol2, SDF, SMILES, flexibase
5.71,11.04,-45.28,1,3,-1, 295.443, 14
lo: mol2, SDF, SMILES, flexibase
5.71,9.06,-6.7,2,3,0, 296.451, 14

Similar to: 5820763, 8860435, 14494518, 14494521, 14494562, ... 20 in total.
3872731
 
#92

American Custom Chemicals Corp.: CHM0014914
Ark Pharm Building Blocks: AK163111
Molport BB: MolPort-003-983-807
Sigma Aldrich (Building Blocks): N4148|SIGMA
Tetrahedron Building Blocks: TS64018...35 total

ref: mol2, SDF, SMILES, flexibase
-4.97,-0.84,-77.04,5,11,-1, 335.318, 11
hi: mol2, SDF, SMILES, flexibase
-4.97,-1.17,-93.39,4,11,-2, 334.31, 11

Similar to: 3925010, 34031530,
1847640
 
#93

Amino acid derivatives (EFI): L-Arginine_nacetyl
DiPeptides (Hao): N-Acyl-Arg-S
eMolecules: 1012721, 2331479
Enolase EN-EFI: N-Acyl-Arg-S
Molport: MolPort-001-792-493...75 total

ref: mol2, SDF, SMILES, flexibase
-3.36,-5.12,-69.82,6,7,0, 216.241, 7

Similar to: 2169795,
12496290
 
#94

Enolase via KEGG (EFI): C14771_1
Cayman Chemical: 50651
Sigma Aldrich (Building Blocks): E5766|SIGMA
Bovine Metabolome: BMDB04264
ChEBI: CHEBI:34157...24 total

ref: mol2, SDF, SMILES, flexibase
5.48,12,-47.08,0,3,-1, 319.465, 14

Similar to: 12496295, 12496298, 13548362,
12496295
 
#95

Enolase via KEGG (EFI): C14771_4
Cayman Chemical: 50651
Sigma Aldrich (Building Blocks): E5766|SIGMA
Bovine Metabolome: BMDB04264
ChEBI: CHEBI:34157...24 total

ref: mol2, SDF, SMILES, flexibase
5.48,12,-49.44,0,3,-1, 319.465, 14

Similar to: 12496298, 13548362, 4544323, 4544326, 4544328, ... 8 in total.
12496298
 
#96

Enolase via KEGG (EFI): C14771_2
Cayman Chemical: 50651
Sigma Aldrich (Building Blocks): E5766|SIGMA
Tractus: TRA0005532
Bovine Metabolome: BMDB04264...34 total

ref: mol2, SDF, SMILES, flexibase
5.48,12.82,-48,0,3,-1, 319.465, 14
lo: mol2, SDF, SMILES, flexibase
5.48,10.84,-8.76,1,3,0, 320.473, 14

Similar to: 13548362, 4544323, 4544326, 4544328, 4544331, ... 8 in total.
5273623
 
#97

Enolase via KEGG (EFI): C05954_1
Cayman Chemical: 11210
Bovine Metabolome: BMDB04236
ChEMBL12: CHEMBL1232442
CSF Metabolome SMPDB: HMDB04236...17 total

ref: mol2, SDF, SMILES, flexibase
3.92,0.15,-55.91,1,4,-1, 333.448, 12

Similar to: 12496271, 12501870, 34033291, 34033292, 34033293, ... 12 in total.
12496266
 
#98

Bovine Metabolome: BMDB04225
CSF Metabolome SMPDB: HMDB04225
Food Database: FDB023338
HMDB Endogenous: HMDB04225
HMDB Food: HMDB04225...12 total

ref: mol2, SDF, SMILES, flexibase
-2.00,1.89,-60.91,5,6,0, 173.172, 5
2516165
 
#99

DiPeptides (Hao): L-GlutamicAcid_L-Lysine_1
Enolase EN-EFI: Glu-Lys-S-S_NH3+
Bachem: G-1955
Indofine: 04-1567
TimTec: ST45399877...24 total

ref: mol2, SDF, SMILES, flexibase
-2.81,-6.9,-143.09,7,8,0, 275.305, 10
56626
 
#100

AK Scientific: 4061AC
Anward: ANW-71821
Ark Pharm Building Blocks: AK-67845
BePharm Building Blocks: B208790
Labotest: LT00451990...55 total

ref: mol2, SDF, SMILES, flexibase
0.25,-0.8,-46.39,4,4,1, 198.242, 4
hi: mol2, SDF, SMILES, flexibase
0.25,-2.3,-7.2,3,4,0, 197.234, 4

Similar to: 1551686, 31495509, 31495511, 31495513, 32107878, ... 41 in total.

Old detail retrieval took 2 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 = 793 ) limit 0,100

Smiles were