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3775294
 
#1

Molport: MolPort-005-933-071
Aldrich CPR: PH006890|ALDRICH
Anward: ANW-31471
Ark Pharm Building Blocks: AK129773
BioSynth: W-105820...27 total

ref: mol2, SDF, SMILES, flexibase
1.10,-8.36,-15.62,6,7,0, 278.216, 2

Similar to: 3978528, 3983883, 6534967, 33861561, ... 4 in total.
896988
 
#2

Alfa-Aesar: L17285
Apollo Scientific: PC9601
Chembo Pharma: KB-87129
KeyOrganics Bioactives: KS-5167
ChEMBL DrugStore: CHEMBL1341...24 total

ref: mol2, SDF, SMILES, flexibase
2.11,1.31,-2.44,0,1,0, 164.966, 2
3872952
 
#3

ChemMol: 30104650
Aldrich CPR: CDS019936|ALDRICH
Alfa-Aesar: L17315
Angene Building Blocks: AGN-PC-00JWBO
Anward: ANW-26037...65 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.48,-4.06,0,1,0, 184.491, 3
3812960
 
#4

ChemMol: 30104650
Aldrich CPR: CDS019936|ALDRICH
Alfa-Aesar: L17315
Angene Building Blocks: AGN-PC-00JWBO
Anward: ANW-26037...70 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.48,-4.06,0,1,0, 184.491, 3
3986
 
#5

ChemMol: 44000903, 30111588
Molport: MolPort-005-932-573
AKOS: AKOS015843415
APIChem: AC-4727
BOC Sciences BB: 119637-67-1...43 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.26,-18.01,0,6,0, 339.413, 8

Similar to: 2015997,
2015997
 
#6

ChemMol: 30111588, 44000903
Molport: MolPort-005-932-573
AKOS: AKOS015843415
APIChem: AC-4727
BOC Sciences BB: 119637-67-1...41 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.22,-18.1,0,6,0, 339.413, 8

Similar to: 3986,
3876041
 
#7

eMolecules: 510926
Molport: MolPort-002-507-139
AK Scientific: I032
American Custom Chemicals Corp.: API0000466
BioSynth: Q-200830...72 total

ref: mol2, SDF, SMILES, flexibase
3.88,11.55,-17.47,0,4,0, 404.934, 3

Similar to: 4214785, 4215535, 4536059, 5167045, 5167226, ... 38 in total.
1552174
 
#8

ChemMol: 97900705, 2100099, 30102451, 44002644
Active BioPharma: 1499
AKOS: AKOS015855512
Apexmol Building Blocks: AM90304
APIChem: AC-4334...131 total

ref: mol2, SDF, SMILES, flexibase
3.40,8.68,-16.36,1,7,0, 369.469, 7

Similar to: 34648502, 38426039, 38557712, 39344119, 39344120, ... 11 in total.
4099009
 
#9

KeyOrganics Bioactives: KS-5147
MedChem Express: HY-13761
Toronto Research Chemicals: T018402, T018400
ChEBI: CHEBI:75988
ChEMBL DrugStore: CHEMBL452231...28 total

ref: mol2, SDF, SMILES, flexibase
1.81,-8.39,-20.43,3,13,0, 656.662, 6

Similar to: 40149485,
3944422
 
#10

eMolecules: 877483
IBScreen Bioactives: Bio-0093
KeyOrganics Bioactives: KS-5017
MicroSource Pharmakon: 01502391
MicroSource US Drugs: 01502391...38 total

ref: mol2, SDF, SMILES, flexibase
7.51,12.91,-25.34,4,11,0, 720.962, 18

Similar to: 26658154, 27657823, 27719492, 29416469, 29416472, ... 8 in total.
4181896
 
#11

eMolecules: 651587
KeyOrganics Bioactives: KS-1309
Toronto Research Chemicals: R073500
Vitas-M: STK377482
ChEMBL DrugStore: CHEMBL287542...13 total

ref: mol2, SDF, SMILES, flexibase
8.22,-2.01,-10.23,2,4,0, 626.015, 4
72135087
 
#12

KeyOrganics Bioactives: KS-1287
ChEMBL19: CHEMBL1874002
IBM Patent Data: 135742778
Leadscope via PubChem: LS-69483
NPC (NCGC Pharma): NPC-7431265...5 total

ref: mol2, SDF, SMILES, flexibase
2.44,13.46,-19.5,4,14,0, 702.904, 19
mid: mol2, SDF, SMILES, flexibase
2.44,14.05,-41.46,5,14,1, 703.912, 19
lo: mol2, SDF, SMILES, flexibase
2.44,14.51,-80.98,6,14,2, 704.92, 19
4097344
 
#13

eMolecules: 902000
KeyOrganics Bioactives: KS-1268
MedChem Express: HY-17514
MicroSource Pharmakon: 01505756
MicroSource US Drugs: 01505756...29 total

ref: mol2, SDF, SMILES, flexibase
5.32,-1.71,-21.17,0,12,0, 705.647, 11

Similar to: 4097343, 3830973, 3830974, 3830975, 3830976, ... 5 in total.
4097343
 
#14

eMolecules: 902000
KeyOrganics Bioactives: KS-1268
MedChem Express: HY-17514
MicroSource Pharmakon: 01505756
MicroSource US Drugs: 01505756...24 total

ref: mol2, SDF, SMILES, flexibase
5.32,-1.71,-21.17,0,12,0, 705.647, 11

Similar to: 4097344, 3830973, 3830974, 3830975, 3830976, ... 5 in total.
4212651
 
#15

KeyOrganics Bioactives: KS-1255, KS-1256
MicroSource Pharmakon: 01504835
MicroSource US Drugs: 01504835
Prestwick Chemical: Prestw-1385
Toronto Research Chemicals: C587390...25 total

ref: mol2, SDF, SMILES, flexibase
8.19,-0.06,-10.14,2,4,0, 663.08, 4
11678567
 
#16

KeyOrganics Bioactives: KS-1255, KS-1256
MicroSource Pharmakon: 01504835
MicroSource US Drugs: 01504835
Prestwick Chemical: Prestw-1385
Toronto Research Chemicals: C587390...22 total

ref: mol2, SDF, SMILES, flexibase
8.17,-0.07,-10.53,2,4,0, 663.08, 4
44145997
 
#17

KeyOrganics Bioactives: HG-0032
Sigma Aldrich (Building Blocks): SML0154|SIGMA
ChEMBL12: CHEMBL404916
ChEMBL19: CHEMBL404916
PubChem: 25066642...5 total

ref: mol2, SDF, SMILES, flexibase
8.39,16.14,-7.43,0,4,0, 368.558, 19

Similar to: 36471082, 34396853, 34465197, 34520020, 34520021, ... 6 in total.
72170736
 
#18

KeyOrganics Bioactives: HG-0018
ChEMBL19: CHEMBL1797707
IBM Patent Data: 136309397
PubChem: 53258425
ref: mol2, SDF, SMILES, flexibase
6.46,13.02,-7.52,0,4,0, 312.45, 15
73715
 
#19

ChemMol: 30103597
eMolecules: 510273
Molport: MolPort-001-889-370
AK Scientific: M955
AKOS: AKOS000505963...69 total

ref: mol2, SDF, SMILES, flexibase
1.86,2.17,-11.3,2,5,0, 220.257, 2

Similar to: 34429260, 34519701, 34584144,
13986802
 
#20

Molport: MolPort-023-298-792
KeyOrganics Bioactives: GG-0057
BindingDB.org: 50420049
ChEMBL12: CHEMBL402146
ChEMBL19: CHEMBL402146...8 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.3,-11.6,1,3,0, 268.65, 2
6261794
 
#21

Molport: MolPort-002-883-985
KeyOrganics Bioactives: 9W-0837
BindingDB.org: 50314727
ChEMBL12: CHEMBL1092791
ChEMBL12 10uM: CHEMBL1092791...10 total

ref: mol2, SDF, SMILES, flexibase
3.01,1.98,-12.89,0,4,0, 252.339, 4
12350577
 
#22

Molport: MolPort-002-876-000
KeyOrganics Bioactives: 6W-0842
BindingDB.org: 76436, 50314729
ChEMBL12: CHEMBL1429068, CHEMBL1093346
ChEMBL12 10uM: CHEMBL1093346...14 total

ref: mol2, SDF, SMILES, flexibase
3.33,7.81,-9.74,0,4,0, 280.736, 4
6261799
 
#23

Molport: MolPort-002-875-999
KeyOrganics Bioactives: 6W-0841
BindingDB.org: 50314724
ChEMBL12: CHEMBL1431890, CHEMBL1092114
ChEMBL12 10uM: CHEMBL1092114...13 total

ref: mol2, SDF, SMILES, flexibase
2.71,6.59,-11.35,0,5,0, 276.317, 5
8781897
 
#24

ChemMol: 97900450
Molport: MolPort-002-864-340
Active BioPharma: 943
AKOS: AKOS005087310
KeyOrganics Bioactives: 3E-323S...24 total

ref: mol2, SDF, SMILES, flexibase
6.30,13.07,-9.63,0,4,0, 436.751, 5

Similar to: 33920311, 3133811,
1383151
 
#25

ChemMol: 97900840
Molport: MolPort-002-854-321
Active BioPharma: 1736
AK Scientific: 8913AA
AKOS: AKOS005078101...53 total

ref: mol2, SDF, SMILES, flexibase
3.23,8.55,-7.31,2,5,0, 301.781, 2

Similar to: 13165426, 32269833, 39129912,
2567089
 
#26

ChemMol: 97900588
Molport: MolPort-002-850-842
Active BioPharma: 1301
AKOS: AKOS005074822
KeyOrganics Bioactives: 10H-944...22 total

ref: mol2, SDF, SMILES, flexibase
3.85,-0.64,-9.3,2,5,0, 322.755, 2

Similar to: 3961936, 3961937, 34030990, 34228083, 34229665, ... 17 in total.
95619102
 
#27

eMolecules: 215689110
Molport: MolPort-023-220-303
AK Scientific: I015, Y1767
Bide Pharmatech BB: BD126890
BioSynth: W-105517...65 total

95619104
 
#28

Acros Organics: 22694
BioSynth: Q-201410
Chembo Pharma: KB-145809
KeyOrganics Bioactives: KS-5148
Sigma Aldrich (Building Blocks): M7949|SIGMA...30 total

95627760
 
#29

BioSynth: Q-200856
KeyOrganics Bioactives: KS-5087
Ryan Scientific BB: 077-52246
Sequoia Research Products: 2984-61-4
Sigma Aldrich (Building Blocks): C4522|SIGMA...14 total

95616603
 
#30

eMolecules: 594585
Molport: MolPort-023-220-226
ACT Chemical BB: ACT09031
Alinda Building Blocks: ALBB-022457
BioSynth: Q-201846...55 total

95616600
 
#31

eMolecules: 902550, 594884
AK Scientific: H977
Chembo Pharma: KB-147102, KB-278210
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...66 total

95616599
 
#32

eMolecules: 594884, 902550
AK Scientific: H977
Chembo Pharma: KB-278210, KB-147102
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...61 total

95619098
 
#33

eMolecules: 902391
Alfa-Aesar: B22260
BioSynth: W-104534
Chembo Pharma: KB-80331, KB-277588
IBScreen Bioactives: Bio-0086...45 total

95921743
 
#34

Molport: MolPort-035-395-282
KeyOrganics Bioactives: HH-0050
ref: mol2, SDF, SMILES, flexibase
0.50,2.7,-28.16,3,6,0, 285.303, 5
hi: mol2, SDF, SMILES, flexibase
0.50,3.91,-70.8,2,6,-1, 284.295, 5
lo: mol2, SDF, SMILES, flexibase
0.50,3.15,-55.88,4,6,1, 286.311, 5
95921742
 
#35

Molport: MolPort-035-395-281
KeyOrganics Bioactives: HH-0049
ref: mol2, SDF, SMILES, flexibase
1.74,2.84,-26.45,3,6,0, 286.287, 4
hi: mol2, SDF, SMILES, flexibase
1.74,4.06,-69.59,2,6,-1, 285.279, 4
95921741
 
#36

Molport: MolPort-035-395-280
KeyOrganics Bioactives: HH-0048
ChEMBL19: CHEMBL2381520
ref: mol2, SDF, SMILES, flexibase
1.68,3.56,-24.9,3,5,0, 256.261, 3
hi: mol2, SDF, SMILES, flexibase
1.68,4.77,-68.1,2,5,-1, 255.253, 3
95921740
 
#37

Molport: MolPort-035-395-279
KeyOrganics Bioactives: HH-0047
ChEMBL19: CHEMBL2381519
ref: mol2, SDF, SMILES, flexibase
1.38,3.69,-22.74,3,5,0, 270.288, 4
hi: mol2, SDF, SMILES, flexibase
1.38,4.91,-65.57,2,5,-1, 269.28, 4
95921739
 
#38

Molport: MolPort-035-395-278
KeyOrganics Bioactives: HH-0046
MedChem Express: HY-18700
BindingDB.org: 50434126
ChEMBL19: CHEMBL2381517...6 total

ref: mol2, SDF, SMILES, flexibase
1.79,4.46,-25.68,3,5,0, 284.315, 5
hi: mol2, SDF, SMILES, flexibase
1.79,5.68,-68.6,2,5,-1, 283.307, 5
95616601
 
#39

eMolecules: 670703, 531061
AK Scientific: H764
Aldrich CPR: R736384|ALDRICH
Ark Pharm Building Blocks: AK116466
BioSynth: W-107722...73 total

8214692
 
#40

BioSynth: Q-201838
KeyOrganics Bioactives: KS-1405
MedChem Express: HY-B0441
MicroSource Pharmakon: 01500579
MicroSource US Drugs: 01500579...87 total

ref: mol2, SDF, SMILES, flexibase
-5.70,-18.36,-415.88,20,14,5, 472.56, 6
mid: mol2, SDF, SMILES, flexibase
-5.70,-18.66,-304.45,19,14,4, 471.552, 6
mid: mol2, SDF, SMILES, flexibase
-5.70,-18.77,-323.19,19,14,4, 471.552, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-19.41,-127.49,17,14,2, 469.536, 6
hi: mol2, SDF, SMILES, flexibase
-5.70,-19.38,-111.17,17,14,2, 469.536, 6

Similar to: 8035336, 8101072, 8101073, 8101074, 8101075, ... 9 in total.
2019954
 
#41

ChemMol: 30109512, 80101324, 44001242, 44011736
eMolecules: 32272883
Molport: MolPort-005-932-639
Scientific Exchange (make on demand): F-434688
AK Scientific: S050...81 total

ref: mol2, SDF, SMILES, flexibase
2.15,5.48,-38.89,3,5,1, 285.389, 7
hi: mol2, SDF, SMILES, flexibase
2.15,4.23,-8.32,2,5,0, 284.381, 7
2019953
 
#42

ChemMol: 80101324, 44001242, 44011736, 30109512
eMolecules: 32272883
Molport: MolPort-005-932-639
Scientific Exchange (make on demand): F-434688
AK Scientific: S050...81 total

ref: mol2, SDF, SMILES, flexibase
2.15,5.48,-38.52,3,5,1, 285.389, 7
hi: mol2, SDF, SMILES, flexibase
2.15,4.34,-9.42,2,5,0, 284.381, 7
4393164
 
#43

eMolecules: 44841328
Chembo Pharma: KB-47181
KeyOrganics Bioactives: KS-1395
MicroSource Pharmakon: 01505710
MicroSource US Drugs: 01505710...89 total

ref: mol2, SDF, SMILES, flexibase
4.27,-4.18,-71.76,7,9,1, 552.777, 19

Similar to: 14967685, 14967688, 14967696, 14967700, 43773459, ... 8 in total.
84403367
 
#44

eMolecules: 592473
AKOS: AKOS000622913
BioSynth: W-106422
Boerchem Pharmatech BB: BC204171
IBScreen Bioactives: Bio-0179...54 total

ref: mol2, SDF, SMILES, flexibase
3.94,10.41,-16.53,1,8,0, 360.366, 7
84400879
 
#45

Molport: MolPort-023-220-135
AK Scientific: V1328
AKOS: AKOS001637090
BioSynth: W-105615
Boerchem Pharmatech BB: BC215912...61 total

ref: mol2, SDF, SMILES, flexibase
5.00,15.4,-51.53,2,9,1, 480.541, 11
19364228
 
#46

ChemMol: 30105015
AK Scientific: Q710
American Custom Chemicals Corp.: HCH0316300
Anward: ANW-66382
APIChem: AC-15954...64 total

ref: mol2, SDF, SMILES, flexibase
7.19,16.28,-39.71,1,2,1, 434.047, 6
mid: mol2, SDF, SMILES, flexibase
7.19,14.03,-2.78,0,2,0, 433.039, 6
mid: mol2, SDF, SMILES, flexibase
7.19,15.87,-36.94,1,2,1, 434.047, 6

Similar to: 22121421, 22121425, 31320274, 31320278, ... 4 in total.
19364226
 
#47

ChemMol: 30105015
AK Scientific: Q710
American Custom Chemicals Corp.: HCH0316300
Anward: ANW-66382
APIChem: AC-15954...64 total

ref: mol2, SDF, SMILES, flexibase
7.19,16.42,-39.97,1,2,1, 434.047, 6
mid: mol2, SDF, SMILES, flexibase
7.19,14.1,-2.83,0,2,0, 433.039, 6
mid: mol2, SDF, SMILES, flexibase
7.19,15.9,-37.54,1,2,1, 434.047, 6

Similar to: 22121421, 22121425, 31320274, 31320278, ... 4 in total.
3830247
 
#48

ChemMol: 30115901
eMolecules: 1221687
Molport: MolPort-003-665-492, MolPort-018-655-037
Scientific Exchange (make on demand): F-251251
AKOS: AKOS004910405...152 total

ref: mol2, SDF, SMILES, flexibase
6.56,11.53,-77.73,3,4,2, 401.982, 9

Similar to: 6382084, 6382154,
3830246
 
#49

ChemMol: 30115901
eMolecules: 1221687
Molport: MolPort-003-665-492, MolPort-018-655-037
Scientific Exchange (make on demand): F-251251
AKOS: AKOS004910405...153 total

ref: mol2, SDF, SMILES, flexibase
6.56,11.66,-76.98,3,4,2, 401.982, 9

Similar to: 6382084, 6382154,
1856108
 
#50

ChemMol: 2000452, 96708210, 30114375
Molport: MolPort-018-657-427, MolPort-020-000-760
AK Scientific: K142, 8843AE
AKOS: AKOS005066359
APIChem: AC-8798...58 total

ref: mol2, SDF, SMILES, flexibase
1.05,-0.59,-43.63,2,5,1, 270.397, 7

Similar to: 39286979,
89224231
 
#51

AK Scientific: Y0319
Apexmol Building Blocks: AM20090722
Ark Pharm Building Blocks: AK104672
Fluorochem: 361967
KeyOrganics Bioactives: FE-0225...29 total

ref: mol2, SDF, SMILES, flexibase
5.69,14.98,-44.87,3,6,1, 499.594, 4
hi: mol2, SDF, SMILES, flexibase
3.46,4.8,-3.83,0,1,0, 164.195, 3
4632106
 
#52

ChemMol: 44007010, 30109093, 44008493, 44032753
eMolecules: 43639353
Molport: MolPort-019-991-996, MolPort-035-395-718
ACT Chemical BB: ACT04744, ACT04745
AK Scientific: 3506AC...122 total

ref: mol2, SDF, SMILES, flexibase
2.91,8.21,-34.47,2,2,1, 201.293, 2
mid: mol2, SDF, SMILES, flexibase
2.91,7.73,-7.43,1,2,0, 200.285, 2
mid: mol2, SDF, SMILES, flexibase
2.91,7.87,-7.67,1,2,0, 200.285, 2

Similar to: 39386821, 39386834, 39386835,
84397760
 
#53

ChemMol: 44032753, 30108818, 44008493
AK Scientific: 3506AC
Ark Pharm Building Blocks: AK115836, AK-56227
BePharm Building Blocks: B137326
Bide Pharmatech BB: BD35160...43 total

ref: mol2, SDF, SMILES, flexibase
2.91,8.22,-34.53,2,2,1, 201.293, 2
3922156
 
#54

ChemMol: 30108673, 44007803, 44022383
AK Scientific: 6220AB
AKOS: AKOS015833466
Anward: ANW-61405
APIChem: AC-1240...73 total

ref: mol2, SDF, SMILES, flexibase
-3.30,-11.32,-89.12,0,6,-2, 280.37, 7
4106369
 
#55

AKOS: AKOS005107441
KeyOrganics Bioactives: MS-1460
Molport BB: MolPort-002-886-606
Aronis (Make on Request): SYN2010/07940
TimTec Make-on-Demand: OVS21357766...14 total

ref: mol2, SDF, SMILES, flexibase
3.46,-0.77,-8.48,1,3,0, 267.115, 2

Similar to: 34661470, 36376263,
12496083
 
#56

Molport: MolPort-001-742-590
Scientific Exchange (make on demand): M-618766
AK Scientific: W1021
AnalytiCon Discovery NP: NP-010656
Anward: ANW-26870...91 total

ref: mol2, SDF, SMILES, flexibase
2.68,3.61,-6.89,1,3,0, 214.268, 1
lo: mol2, SDF, SMILES, flexibase
2.51,4.94,-100.78,3,3,2, 216.284, 1
95911093
 
#57

Molport: MolPort-002-507-352
TCM Database @ Taiwan: 47172
AK Scientific: V0549
IBScreen Bioactives: Bio-0320
KeyOrganics Bioactives: KS-5297...17 total

ref: mol2, SDF, SMILES, flexibase
2.08,4.76,-7.6,1,2,0, 164.204, 1
3985982
 
#58

ChemMol: 30109969, 44004584
Molport: MolPort-003-986-216
AK Scientific: H899
APIChem: AC-4213
Boerchem Pharmatech BB: BC210409...84 total

ref: mol2, SDF, SMILES, flexibase
1.74,10.24,-21.7,0,6,0, 414.498, 2

Similar to: 11616036, 15449345, 15449346, 15657738, 22114710, ... 21 in total.
8819
 
#59

Molport: MolPort-003-941-103
AK Scientific: Y1295
Ark Pharm Building Blocks: AK163811
Bide Pharmatech BB: BD291884
Chembo Pharma: KB-89724...26 total

ref: mol2, SDF, SMILES, flexibase
1.00,6.11,-14.27,0,4,0, 246.31, 2
3779991
 
#60

Molport: MolPort-028-720-520
Amadis Chemical: A848898
American Custom Chemicals Corp.: API0007304
Ark Pharm Building Blocks: AK-60973
KeyOrganics Bioactives: AS-2749...23 total

ref: mol2, SDF, SMILES, flexibase
-1.09,-6.36,-21.45,3,6,0, 229.261, 2

Similar to: 6584814, 5474,
5116305
 
#61

ChemMol: 44010715, 30109094
AK Scientific: O376, 1936AC
APIChem: AC-309
Ark Pharm Building Blocks: AK122402, AK160349
Boerchem Pharmatech BB: BC678002...47 total

ref: mol2, SDF, SMILES, flexibase
2.93,7.77,-7.18,1,2,0, 186.258, 2
mid: mol2, SDF, SMILES, flexibase
2.93,7.85,-35.42,2,2,1, 187.266, 2
lo: mol2, SDF, SMILES, flexibase
2.93,7.89,-35.39,2,2,1, 187.266, 2

Similar to: 39381581, 39381588, 39381591, 39386834, 39386835, ... 5 in total.
4877294
 
#62

ChemMol: 44011870
Cayman Chemical: 10010241
KeyOrganics Bioactives: AS-2056
Lab Seeker Building Blocks: SC-19362
StruChem BB: SC-19362...17 total

ref: mol2, SDF, SMILES, flexibase
-2.50,-9.3,-14.79,7,9,0, 258.234, 3

Similar to: 11616871, 11616872, 13547762, 16954900, 16954902, ... 11 in total.
4877292
 
#63

ChemMol: 44011870
Cayman Chemical: 10010241
KeyOrganics Bioactives: AS-2056
Lab Seeker Building Blocks: SC-19362
StruChem BB: SC-19362...17 total

ref: mol2, SDF, SMILES, flexibase
-2.50,-9.42,-13.31,7,9,0, 258.234, 3

Similar to: 4877294, 11616871, 11616872, 13547762, 16954900, ... 11 in total.
4877291
 
#64

ChemMol: 44011870
Cayman Chemical: 10010241
KeyOrganics Bioactives: AS-2056
Lab Seeker Building Blocks: SC-19362
StruChem BB: SC-19362...17 total

ref: mol2, SDF, SMILES, flexibase
-2.50,-8.44,-14.17,7,9,0, 258.234, 3

Similar to: 4877292, 4877294, 11616871, 11616872, 13547762, ... 11 in total.
4877289
 
#65

ChemMol: 44011870
Cayman Chemical: 10010241
KeyOrganics Bioactives: AS-2056
Lab Seeker Building Blocks: SC-19362
StruChem BB: SC-19362...17 total

ref: mol2, SDF, SMILES, flexibase
-2.50,-7.89,-16.31,7,9,0, 258.234, 3

Similar to: 4877291, 4877292, 4877294, 11616871, 11616872, ... 11 in total.
53007017
 
#66

eMolecules: 32278144
American Custom Chemicals Corp.: API0004036
APIChem: AC-1347
Boerchem Pharmatech BB: BC205360
Bosche Scientific: R2125...76 total

94566093
 
#67

AK Scientific: M364, V1927
Boerchem Pharmatech BB: BC201641
Combi-Blocks: QA-8517
Enamine Building Blocks: EN300-53021
IBScreen Bioactives: Bio-0889...52 total

94566092
 
#68

AK Scientific: V1927, M364
BOC Sciences BB: 104874-86-4
Boerchem Pharmatech BB: BC201641
Combi-Blocks: QA-8517
Enamine Building Blocks: EN300-53021...61 total

1539579
 
#69

ChemMol: 30117452, 44013325, 2101388
Ark Pharm Building Blocks: AK-64115
Bide Pharmatech BB: BD93141
Chembo Pharma: KB-188553
CiVentiChem: CV-1209...79 total

ref: mol2, SDF, SMILES, flexibase
6.81,14.56,-49.33,0,2,-1, 347.478, 3

Similar to: 13742673, 13742674,
6095847
 
#70

Molport: MolPort-035-395-292
BOC Sciences BB: 103725-47-9
KeyOrganics Bioactives: SS-4620
Tetrahedron Building Blocks: TS66689
Collaborative Drug Discovery: 1350898...14 total

ref: mol2, SDF, SMILES, flexibase
-1.04,1.64,-46.46,3,9,-1, 366.375, 10

Similar to: 6095848,
4781369
 
#71

ChemMol: 44009286
Molport: MolPort-035-395-290
AK Scientific: Y0500
Boerchem Pharmatech BB: BC263424
KeyOrganics Bioactives: SS-4485...20 total

ref: mol2, SDF, SMILES, flexibase
1.92,-6.64,-58.53,3,10,1, 461.568, 7
538152
 
#72

ChemMol: 30102053, 44006347, 83602623
eMolecules: 508623
Molport: MolPort-035-395-288
Acros Organics: 12972
AK Scientific: O628...492 total

ref: mol2, SDF, SMILES, flexibase
5.52,10.73,-108.65,2,6,-2, 386.359, 4
hi: mol2, SDF, SMILES, flexibase
4.07,8.18,-2.17,0,0,0, 180.316, 1

Similar to: 6118208, 32222116, 33986155, 34027264, 34451944, ... 8 in total.
19632644
 
#73

ChemMol: 2101376, 2100090, 30116048, 44003042, 30112488, 30103061
eMolecules: 902698
Molport: MolPort-019-990-662, MolPort-002-885-874
Acorn PharmaTech: ACN-F000696
AK Scientific: Y1607...153 total

ref: mol2, SDF, SMILES, flexibase
-3.12,-2.4,-165.36,3,9,-2, 270.074, 4
mid: mol2, SDF, SMILES, flexibase
-3.12,-3.45,-71.58,4,9,-1, 271.082, 4
mid: mol2, SDF, SMILES, flexibase
-3.12,-4.63,-105.78,3,9,-2, 270.074, 4
mid: mol2, SDF, SMILES, flexibase
-3.12,-2.85,-216.03,2,9,-3, 269.066, 4
mid: mol2, SDF, SMILES, flexibase
-3.12,-2.92,-217.58,2,9,-3, 269.066, 4
hi: mol2, SDF, SMILES, flexibase
-3.12,-1.74,-366.18,1,9,-4, 268.058, 4
1850416
 
#74

Molport: MolPort-027-836-893
Element Store BB: b2star-52888-80-9
KeyOrganics Bioactives: SS-4633
Tetrahedron Building Blocks: TS28240
Ark Pharm BB (Depleted): AK122341...23 total

ref: mol2, SDF, SMILES, flexibase
4.08,1.43,-5.96,0,2,0, 251.395, 7
3875333
 
#75

Molport: MolPort-001-740-055, MolPort-016-634-125
AKOS: AKOS015919714
Alfa-Aesar: A18089
Ark Pharm Building Blocks: AK-51737
BePharm Building Blocks: B105729...104 total

ref: mol2, SDF, SMILES, flexibase
2.32,7.13,-13.2,2,6,0, 404.503, 4

Similar to: 3977965, 3977966, 3977967, 3977968, 4082342, ... 51 in total.
7761
 
#76

Molport: MolPort-035-395-276, MolPort-000-003-506
AK Scientific: Y0218
Angene Building Blocks: AGN-PC-09M8YT
Chembo Pharma: KB-76408
Excenen: EX-A115...33 total

ref: mol2, SDF, SMILES, flexibase
5.40,2.17,-7.58,2,5,0, 329.407, 4

Similar to: 5931277,
1635500
 
#77

Ark Pharm Building Blocks: AK161703
Bide Pharmatech BB: BD151193
Element Store BB: b2star-673-04-1
KeyOrganics Bioactives: FH-0070
Tetrahedron Building Blocks: TS18466...15 total

ref: mol2, SDF, SMILES, flexibase
2.44,-4.95,-7.2,2,6,0, 197.242, 5

Similar to: 5760650, 6485143, 32233575,
91291805
 
#78

Molport: MolPort-035-395-265, MolPort-035-395-268
KeyOrganics Bioactives: BH-0014, AH-0037
SureChEMBL: SCHEMBL6474672, SCHEMBL6475458
ref: mol2, SDF, SMILES, flexibase
3.57,11.29,-10.62,0,6,0, 389.503, 7
mid: mol2, SDF, SMILES, flexibase
3.57,13.51,-48.89,1,6,1, 390.511, 7
mid: mol2, SDF, SMILES, flexibase
3.57,10.58,-31.28,1,6,1, 390.511, 7
lo: mol2, SDF, SMILES, flexibase
3.57,12.79,-96.84,2,6,2, 391.519, 7
8733517
 
#79

Molport: MolPort-002-850-588
KeyOrganics Bioactives: 10G-963
ChemDB: 4688300
KeyOrganics (Depleted): 10G-963
PubChem: 2765122...5 total

ref: mol2, SDF, SMILES, flexibase
3.94,-2.67,-17.71,3,9,0, 463.416, 6
38192559
 
#80

ChemMol: 97900215
Molport: MolPort-023-277-143
Active BioPharma: 357
KeyOrganics Bioactives: SS-4391
Ryan Scientific: 048-04341...14 total

ref: mol2, SDF, SMILES, flexibase
3.98,10.13,-38.97,0,7,0, 401.469, 5
38192558
 
#81

ChemMol: 97900215
Molport: MolPort-023-277-143
Active BioPharma: 357
KeyOrganics Bioactives: SS-4391
Ryan Scientific: 048-04341...14 total

ref: mol2, SDF, SMILES, flexibase
3.98,8.44,-15.4,0,7,0, 401.469, 5
1735
 
#82

ChemMol: 97900369, 44001393, 30101508
eMolecules: 1934628
Molport: MolPort-003-666-236
Active BioPharma: 697
AK Scientific: H766...160 total

ref: mol2, SDF, SMILES, flexibase
-0.86,4.91,-13.39,4,6,0, 209.253, 1
1530571
 
#83

ChemMol: 97900391, 30104623, 44009323, 44004137
eMolecules: 1933757, 535324
Molport: MolPort-002-163-732, MolPort-027-564-859
Active BioPharma: 769
AKOS: AKOS002313325...160 total

ref: mol2, SDF, SMILES, flexibase
1.75,12.45,-41.93,1,7,1, 386.52, 6
mid: mol2, SDF, SMILES, flexibase
1.75,10.24,-12.76,0,7,0, 385.512, 6

Similar to: 34225217, 34331300, 34331301, 34609117, ... 4 in total.
1532336
 
#84

Aldrich CPR: PH002046|ALDRICH
BioSynth: W-100087
KeyOrganics Bioactives: KS-5158
MicroSource Pharmakon: 01500173
MicroSource US Drugs: 01500173...44 total

ref: mol2, SDF, SMILES, flexibase
0.70,-1.17,-56.76,2,10,-1, 422.197, 11

Similar to: 4215295, 5166184, 1529709, 1529710, 1529711, ... 6 in total.
57249
 
#85

ChemMol: 44004144, 30101996
Molport: MolPort-003-940-661
Aldrich CPR: S424153|ALDRICH
APIChem: AC-12197
Ark Pharm Building Blocks: AK128947...74 total

ref: mol2, SDF, SMILES, flexibase
3.25,11.47,-97.01,2,3,2, 291.826, 6
hi: mol2, SDF, SMILES, flexibase
3.25,8.71,-4.35,0,3,0, 289.81, 6

Similar to: 521616, 34222440,
19632891
 
#86

eMolecules: 43444590
Molport: MolPort-002-056-760
AKOS: AKOS002134299
Alinda: IBS-L0216360
American Custom Chemicals Corp.: API0010220...103 total

ref: mol2, SDF, SMILES, flexibase
5.76,14.85,-39.79,1,2,1, 369.532, 6
mid: mol2, SDF, SMILES, flexibase
5.76,14.4,-34.62,1,2,1, 369.532, 6
mid: mol2, SDF, SMILES, flexibase
5.76,12.57,-3.99,0,2,0, 368.524, 6
3786192
 
#87

ChemMol: 30104829, 97900311, 44004277
eMolecules: 43443002
Enolase via KEGG (EFI): C01531_1
Molport: MolPort-003-666-287, MolPort-002-507-760
Active BioPharma: 613...200 total

ref: mol2, SDF, SMILES, flexibase
2.15,10.74,-59.16,0,3,-1, 355.41, 4

Similar to: 4475353, 12503133, 31356637, 33845157, 33845158, ... 14 in total.
4475353
 
#88

ChemMol: 44004277, 97900311, 30104829
eMolecules: 43443002
Enolase via KEGG (EFI): C01531_2
Molport: MolPort-002-507-760, MolPort-003-666-287
Active BioPharma: 613...197 total

ref: mol2, SDF, SMILES, flexibase
2.15,10.74,-65.87,0,3,-1, 355.41, 4

Similar to: 12503133, 31356637, 33845157, 33845158, 34580671, ... 14 in total.
733
 
#89

ChemMol: 30108735, 83601213, 44010771, 97800902
eMolecules: 594160
Molport: MolPort-020-002-729, MolPort-023-221-543
Scientific Exchange (make on demand): F-393787
TCM Database @ Taiwan: tcm03_008005...153 total

ref: mol2, SDF, SMILES, flexibase
0.43,-0.78,-43.1,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.43,-2.29,-5.42,3,3,0, 167.208, 3

Similar to: 403588,
403588
 
#90

ChemMol: 30108735, 83601213, 44010771, 97800902
eMolecules: 594160
Molport: MolPort-023-221-543
Scientific Exchange (make on demand): F-393787
TCM Database @ Taiwan: 46640...154 total

ref: mol2, SDF, SMILES, flexibase
0.43,-0.72,-42.44,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.43,-2.17,-5.01,3,3,0, 167.208, 3

Similar to: 34638840, 34638841, 35874966, 35874967, 39311919, ... 7 in total.
6582254
 
#91

ChemMol: 30108891, 44008291
Molport: MolPort-023-220-809
AK Scientific: X4689
AKOS: AKOS000425431
APIChem: AC-747...48 total

ref: mol2, SDF, SMILES, flexibase
4.01,0.91,-38.51,1,4,1, 363.481, 3
hi: mol2, SDF, SMILES, flexibase
-0.51,7.86,-26.12,2,4,1, 377.489, 4

Similar to: 11616187, 11616188, 34556739, 34556740, 38544747, ... 7 in total.
3917708
 
#92

KeyOrganics Bioactives: KS-5149
MicroSource Pharmakon: 01500223
MicroSource US Drugs: 01500223
Prestwick Chemical: Prestw-487
Sigma Aldrich (Building Blocks): W4013|SIGMA...100 total

ref: mol2, SDF, SMILES, flexibase
0.90,1.34,-54.26,7,11,1, 528.534, 4

Similar to: 3918087, 3938704, 3995925, 3995927, 3995929, ... 44 in total.
8214483
 
#93

eMolecules: 36519241
KeyOrganics Bioactives: KS-5082
MedChem Express: HY-B0509B
Prestwick Chemical: Prestw-395
Sigma Aldrich (Building Blocks): A1774|SIGMA...33 total

ref: mol2, SDF, SMILES, flexibase
-5.97,-22.77,-292.18,21,18,4, 589.64, 10
mid: mol2, SDF, SMILES, flexibase
-5.97,-23.18,-223.21,20,18,3, 588.632, 10
hi: mol2, SDF, SMILES, flexibase
-5.97,-23.91,-124.54,19,18,2, 587.624, 10
hi: mol2, SDF, SMILES, flexibase
-5.97,-24.28,-67.86,18,18,1, 586.616, 10

Similar to: 40163233, 40163234, 40163235, 40163236, 44201952, ... 17 in total.
537891
 
#94

ChemMol: 30101013
eMolecules: 30082257, 498886
Molport: MolPort-016-582-660, MolPort-023-220-556
AK Scientific: S518, H778
AKOS: AKOS005701543...177 total

ref: mol2, SDF, SMILES, flexibase
-0.26,10.08,-92.39,1,7,0, 361.373, 2
mid: mol2, SDF, SMILES, flexibase
-0.26,7.74,-63.35,0,7,-1, 360.365, 2
mid: mol2, SDF, SMILES, flexibase
-3.01,8.22,-73.63,2,7,1, 362.381, 1

Similar to: 538273, 597486, 3644312, 3644314, 3646531, ... 33 in total.
3914596
 
#95

KeyOrganics Bioactives: KS-1110
Prestwick Chemical: Prestw-1114, 1114
Sigma Aldrich (Building Blocks): S8451|SIGMA
Toronto Research Chemicals: S135000
BindingDB.org: 519...36 total

ref: mol2, SDF, SMILES, flexibase
4.26,-7.47,-55.36,7,11,1, 671.863, 13

Similar to: 3931991, 3943890, 3945736, 3946141, 3946146, ... 25 in total.
3938642
 
#96

KeyOrganics Bioactives: HS-2029
MicroSource Pharmakon: 01506200
MicroSource World Drugs: 01506200
Sigma Aldrich (Building Blocks): T8806|SIGMA
Individual Suppliers: UNNAMED00000721...10 total

ref: mol2, SDF, SMILES, flexibase
-4.89,1.06,-207.11,16,18,1, 680.784, 23
hi: mol2, SDF, SMILES, flexibase
-4.89,0.8,-142.66,15,18,0, 679.776, 23
lo: mol2, SDF, SMILES, flexibase
-4.89,-0.94,-197.62,17,18,2, 681.792, 23
34051848
 
#97

Molport: MolPort-023-298-791
AK Scientific: 7034AB
American Custom Chemicals Corp.: API0006786
Angene Building Blocks: AGN-PC-0MWG4X
Ark Pharm Building Blocks: AK110506...37 total

ref: mol2, SDF, SMILES, flexibase
4.08,8.69,-44.56,2,2,1, 299.463, 3
hi: mol2, SDF, SMILES, flexibase
4.08,7.28,-4.74,1,2,0, 298.455, 3
3875544
 
#98

ChemMol: 96701916
Molport: MolPort-002-130-141
APIChem: AC-8078, AC-15978
Ark Pharm Building Blocks: AK-48919
BePharm Building Blocks: B156592...97 total

ref: mol2, SDF, SMILES, flexibase
3.03,9.53,-53.12,0,4,-1, 307.325, 4
mid: mol2, SDF, SMILES, flexibase
3.03,8.5,-11.58,1,4,0, 308.333, 4
lo: mol2, SDF, SMILES, flexibase
3.03,9.3,-22.82,1,4,0, 308.333, 4

Similar to: 5159727, 5159731, 5159745, 5159747, 5159749, ... 37 in total.
53045055
 
#99

AK Scientific: H533
Anward: ANW-45430
APIChem: AC-13214, AC-8077
Ark Pharm Building Blocks: AK140416
BePharm Building Blocks: B212213...62 total

53045054
 
#100

AK Scientific: H533
Anward: ANW-45430
APIChem: AC-13214, AC-8077
Ark Pharm Building Blocks: AK140416
BePharm Building Blocks: B212213...70 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 = 585 ) limit 0,100

Smiles were