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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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446
 
#1

AK Scientific: 4451AB
Angene Building Blocks: AGN-PC-0RB4X7
Anward: ANW-52529
Ark Pharm Building Blocks: AK-79196
BePharm Building Blocks: B80164...36 total

ref: mol2, SDF, SMILES, flexibase
2.42,8.11,-48.35,0,4,-1, 257.265, 5
lo: mol2, SDF, SMILES, flexibase
2.42,6.13,-10.15,1,4,0, 258.273, 5
33427614
 
#2

AK Scientific: V6428
Anward: ANW-31622
Ark Pharm Building Blocks: AK-91536
BePharm Building Blocks: B229951
Bide Pharmatech BB: BD229951...18 total

ref: mol2, SDF, SMILES, flexibase
3.19,5.71,-12.26,1,4,0, 215.208, 2

Similar to: 38293912,
33414695
 
#3

eMolecules: 28201208
AK Scientific: 4614AF
Aldrich CPR: CDS009278|ALDRICH
Alinda Building Blocks: ALBB-010762
Amadis Chemical: A845858...31 total

ref: mol2, SDF, SMILES, flexibase
0.14,1.04,-44.52,3,2,1, 130.211, 2

Similar to: 5858682,
33414696
 
#4

eMolecules: 28201208
AK Scientific: 4614AF
Aldrich CPR: CDS009278|ALDRICH
Alinda Building Blocks: ALBB-010762
Amadis Chemical: A845858...31 total

ref: mol2, SDF, SMILES, flexibase
0.14,1.04,-44.53,3,2,1, 130.211, 2

Similar to: 5858682,
1699265
 
#5

ChemMol: 83603677, 44006709
eMolecules: 476375
Acros Organics: 15334
AK Scientific: I402
Alfa-Aesar: A15498...59 total

ref: mol2, SDF, SMILES, flexibase
-0.94,-1.34,-36.16,3,3,1, 106.145, 3
96186176
 
#6

EDASA Scientific: BB0268159
ref: mol2, SDF, SMILES, flexibase
1.36,6,-46.82,2,3,1, 231.319, 2
hi: mol2, SDF, SMILES, flexibase
1.36,3.88,-7.14,1,3,0, 230.311, 2
155631
 
#7

ChemMol: 1035784, 44009733
eMolecules: 500589
Molport: MolPort-001-757-418
Scientific Exchange (make on demand): POD_02/0826
Acros Organics: 11353...54 total

ref: mol2, SDF, SMILES, flexibase
3.18,6.18,-4.25,0,3,0, 192.001, 1
19735744
 
#8

AK Scientific: 0382AD
Ark Pharm Building Blocks: AK105395
Asinex: BAS08766765
Asinex Building Blocks: BAS08766765
Chembo Pharma: KB-213988...29 total

ref: mol2, SDF, SMILES, flexibase
0.65,2.44,-39.73,2,3,1, 192.286, 2
mid: mol2, SDF, SMILES, flexibase
0.65,2.83,-89.72,3,3,2, 193.294, 2
hi: mol2, SDF, SMILES, flexibase
0.65,1.02,-5.23,1,3,0, 191.278, 2
5018455
 
#9

ChemMol: 1035287, 44008884, 1200198, 98001329
eMolecules: 517928
Molport: MolPort-001-764-756
Acros Organics: 39404
AKOS: AKOS015853909...60 total

ref: mol2, SDF, SMILES, flexibase
2.40,0.23,-46.08,0,2,-1, 261.038, 2

Similar to: 34568181, 38242386,
36378945
 
#10

ChemMol: 97801645
Aldrich CPR: S341770|ALDRICH
Angene Building Blocks: AGN-PC-0JQXJF
Capot Chemical: 18848
Chembo Pharma: KB-218029...28 total

ref: mol2, SDF, SMILES, flexibase
2.16,7.02,-33.48,1,2,1, 219.352, 3

Similar to: 6792514,
388340
 
#11

ChemMol: 1036155, 96707554, 96712483, 30114427, 44006572
eMolecules: 43677785, 483659
Molport: MolPort-019-879-036
Scientific Exchange (make on demand): F-033590
ACB Blocks: C6A-0347...112 total

ref: mol2, SDF, SMILES, flexibase
0.36,-0.09,-31.46,3,2,1, 116.184, 1

Similar to: 33798841, 33798842, 33798843, 33798844, 33799346, ... 13 in total.
388341
 
#12

ChemMol: 1036155, 30114427, 44006572, 96707554, 96712482
eMolecules: 483659
Scientific Exchange (make on demand): F-033590
ACB Blocks: C6A-0347
Acorn PharmaTech: ACN-S003502...108 total

ref: mol2, SDF, SMILES, flexibase
0.36,-0.1,-31.48,3,2,1, 116.184, 1

Similar to: 33798841, 33798842, 33798843, 33798844, 33799346, ... 13 in total.
487716
 
#13

eMolecules: 814458
Molport: MolPort-000-928-848
AK Scientific: 2948AE
AKOS: AKOS000264963
Alinda Building Blocks: ALBB-007081...40 total

ref: mol2, SDF, SMILES, flexibase
2.20,6.1,-39.59,2,3,1, 217.292, 1
mid: mol2, SDF, SMILES, flexibase
2.20,3.72,-7.3,1,3,0, 216.284, 1

Similar to: 3665093, 32223136, 33577246, 33947670, 34985415, ... 6 in total.
4201294
 
#14

eMolecules: 439911
Molport: MolPort-001-757-631
ACB Blocks: GCA-0001
AK Scientific: 7287AE, 5976AE
AKOS: AKOS000302751...63 total

ref: mol2, SDF, SMILES, flexibase
2.35,5.25,-43.48,3,2,1, 187.266, 0
mid: mol2, SDF, SMILES, flexibase
2.35,3.87,-5.03,2,2,0, 186.258, 0

Similar to: 32009926, 34602288, 34985410, 34985411, 34985414, ... 9 in total.
1511626
 
#15

ChemMol: 1035920, 30115732
eMolecules: 539775
Molport: MolPort-001-768-480
Scientific Exchange (make on demand): H-096281
Acros Organics: 12238...67 total

ref: mol2, SDF, SMILES, flexibase
2.98,0.89,-4.32,0,3,0, 249.007, 1
16051516
 
#16

ChemMol: 83600440, 1035227
eMolecules: 26546796
Enolase via KEGG (EFI): C00423_1
Molport: MolPort-002-944-440, MolPort-000-881-745
Scientific Exchange (make on demand): K-087762...468 total

ref: mol2, SDF, SMILES, flexibase
1.91,6.34,-48.78,0,2,-1, 147.153, 2

Similar to: 34601558, 38226957, 4532783,
1715925
 
#17

ChemMol: 30202538, 1201527, 44004510
eMolecules: 480866
Molport: MolPort-020-004-475, MolPort-001-793-098
Scientific Exchange (make on demand): R-064457
Acros Organics: 15880...139 total

ref: mol2, SDF, SMILES, flexibase
-0.53,1.04,-41.68,1,5,-1, 174.176, 4

Similar to: 44238873,
406946
 
#18

ChemMol: 44033802
eMolecules: 486779
Molport: MolPort-001-792-023
Scientific Exchange (make on demand): F-442252
AK Scientific: V1764...48 total

ref: mol2, SDF, SMILES, flexibase
-2.18,0.94,-114.09,0,4,-2, 206.197, 5

Similar to: 34374893, 34374895, 38293054,
71624706
 
#19

Molport: MolPort-020-002-515
AK Scientific: 5591AC
Aldrich CPR: PH010662|ALDRICH
Ark Pharm Building Blocks: AK123157
Chembo Pharma: KB-178258...10 total

ref: mol2, SDF, SMILES, flexibase
-2.22,8.23,-103.02,0,7,-2, 251.194, 6
lo: mol2, SDF, SMILES, flexibase
-2.22,6.23,-48.51,1,7,-1, 252.202, 6
167246
 
#20

ChemMol: 44004674, 30105544, 1031975
eMolecules: 488318
Scientific Exchange (make on demand): F-066928
Acros Organics: 12448
AKOS: AKOS000118868...113 total

ref: mol2, SDF, SMILES, flexibase
2.93,-0.05,-44.87,0,2,-1, 247.011, 1
1758363
 
#21

ChemMol: 30202417, 44007696
eMolecules: 533373
Molport: MolPort-001-791-876
Acros Organics: 43481
Alfa-Aesar: H59293...62 total

ref: mol2, SDF, SMILES, flexibase
1.06,3.63,-47.32,1,5,-1, 222.22, 6

Similar to: 2389675, 2389677, 34396395, 34427339, 34427340, ... 10 in total.
31777960
 
#22

AK Scientific: 1682AC
Anward: ANW-69978
Ark Pharm Building Blocks: AK145805, AK100731
BePharm Building Blocks: B241653
Bide Pharmatech BB: BD241653...13 total

ref: mol2, SDF, SMILES, flexibase
1.85,5.09,-44.38,1,4,-1, 187.178, 2
5943507
 
#23

ChemMol: 30106612, 83601284, 97800852, 44002484, 83601336
eMolecules: 36623276, 532575
Molport: MolPort-000-872-085, MolPort-003-749-451
Acros Organics: 13928, 18899
AKOS: AKOS000120326...253 total

ref: mol2, SDF, SMILES, flexibase
-0.61,2.47,-7.08,1,3,0, 69.067, 0
4207372
 
#24

eMolecules: 2867964
Molport: MolPort-002-469-489
AK Scientific: V4995
Angene Building Blocks: AGN-PC-0LK9G0
Combi-Blocks: ST-1976...20 total

ref: mol2, SDF, SMILES, flexibase
0.24,1.91,-41.98,3,2,1, 130.211, 5

Similar to: 36679187, 36679188, 36987194, 36987195, 36987348, ... 6 in total.
2574309
 
#25

ChemMol: 96705544, 44006767, 30201111, 30113499
eMolecules: 524216
Acorn PharmaTech: ACN-S004294, ACN-C000966
Acros Organics: 39945
AK Scientific: X0195...73 total

ref: mol2, SDF, SMILES, flexibase
2.69,0.36,-43.59,0,2,-1, 228.065, 3

Similar to: 25496823, 25496827, 32101927, 32101929, 36205461, ... 6 in total.
80797
 
#26

ChemMol: 30105589
eMolecules: 593255
Acros Organics: 13025
ACT Chemical BB: ACT10118
AKOS: AKOS000120925...76 total

ref: mol2, SDF, SMILES, flexibase
1.51,4.55,-44.49,0,3,-1, 165.168, 4

Similar to: 6093091, 34455090, 38220848,
12395652
 
#27

AKOS: AKOS015922057
EDASA Scientific: BB0267973
Mcule: MCULE-3222683108
Molport BB: MolPort-000-900-505
TimTec: ST45123396...10 total

ref: mol2, SDF, SMILES, flexibase
0.85,4.59,-5.54,0,5,0, 141.13, 2
1620653
 
#28

ChemMol: 30112420, 1202796, 44001837, 97800590, 96707657
eMolecules: 502059
Molport: MolPort-027-838-703, MolPort-001-757-090
Scientific Exchange: POD_03/0530
Acorn PharmaTech: ACN-S001526...78 total

ref: mol2, SDF, SMILES, flexibase
-0.21,4.33,-13.22,0,5,0, 154.125, 1
55261
 
#29

ChemMol: 83602474
eMolecules: 513532
Molport: MolPort-001-768-661
Scientific Exchange (make on demand): C-012329
AK Scientific: X6258...63 total

ref: mol2, SDF, SMILES, flexibase
1.18,4.81,-7.13,0,4,0, 139.11, 2
hi: mol2, SDF, SMILES, flexibase
3.60,6.74,-35.58,4,9,1, 480.568, 7
2556651
 
#30

Molport: MolPort-020-004-712
AKOS: AKOS008118629
Aldrich CPR: CDS003544|ALDRICH
Alfa-Aesar: H64910
Anward: ANW-58910...48 total

ref: mol2, SDF, SMILES, flexibase
0.73,3.45,-35.35,2,3,1, 144.194, 3

Similar to: 33949519, 33949520, 34604222, 34617784, 37025306, ... 5 in total.
2556650
 
#31

Molport: MolPort-012-214-202
AKOS: AKOS008118629
American Custom Chemicals Corp.: AAA0004771, AAA0002736
Anward: ANW-42217
Apexmol Building Blocks: AM82199...57 total

ref: mol2, SDF, SMILES, flexibase
0.73,-0.03,-36.22,2,3,1, 144.194, 3

Similar to: 33949519, 33949520, 34604222, 34617784, 37025306, ... 5 in total.
15021789
 
#32

ChemMol: 44003303, 30103572
AK Scientific: Y4905
AKOS: AKOS000281179
Anward: ANW-60035
Apexmol Building Blocks: AM20080636...37 total

ref: mol2, SDF, SMILES, flexibase
0.63,-0.27,-41.72,2,7,-1, 189.538, 1
lo: mol2, SDF, SMILES, flexibase
0.17,0.84,-24.23,3,7,0, 190.546, 1
1530756
 
#33

ChemMol: 30104981, 44004367, 80100773, 2200766
eMolecules: 975588
Molport: MolPort-002-319-710
Scientific Exchange (make on demand): R-035369
Acros Organics: 20730...170 total

ref: mol2, SDF, SMILES, flexibase
0.99,4.14,-40.86,4,4,1, 236.339, 6

Similar to: 1759873, 2247555, 5847328, 5847344, 5847351, ... 8 in total.
19772709
 
#34

eMolecules: 17363274
Molport: MolPort-004-968-086
Scientific Exchange Building Blocks: F-415215
AKOS: AKOS003574161
Aldrich CPR: CDS012157|ALDRICH...31 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.19,-49.53,1,4,-1, 189.194, 2
lo: mol2, SDF, SMILES, flexibase
1.98,5.59,-54.43,2,4,0, 190.202, 2
133342
 
#35

ChemMol: 30109588, 97800456
eMolecules: 495996
Molport: MolPort-000-840-859
Acorn PharmaTech: ACN-S004455
ACT Chemical BB: ACT09526...61 total

ref: mol2, SDF, SMILES, flexibase
4.01,0.51,-8.42,0,1,0, 259.102, 0
72194339
 
#36

AK Scientific: 0317AF
EDASA Scientific: BB0268421
Matrix Scientific: 070702
Tractus: TRA0169075
Zylexa Pharma BB: ZP-BB-SN003171...10 total

ref: mol2, SDF, SMILES, flexibase
-0.36,-0.55,-7.99,1,3,0, 127.143, 0
72194338
 
#37

EDASA Scientific: BB0268421
Matrix Scientific: 070702
Tractus: TRA0169075
Zylexa Pharma BB: ZP-BB-SN003171
AKOS BB (make-on-demand): AKOS015950318...9 total

ref: mol2, SDF, SMILES, flexibase
-0.36,-0.55,-7.99,1,3,0, 127.143, 0
2511464
 
#38

ChemMol: 30114558, 1033456, 42306858, 44009199
Molport: MolPort-000-006-165
AK Scientific: W4842
Angene Building Blocks: AGN-PC-00PCC2
Anward: ANW-51004...57 total

ref: mol2, SDF, SMILES, flexibase
-0.83,-2.5,-6.77,1,3,0, 110.116, 1
84192731
 
#39

EDASA Scientific: BB0268210
Enamine BB Make on Demand: BBV-43572472
UORSY BB Make-on-demand: BBV-43572472
ref: mol2, SDF, SMILES, flexibase
3.68,6.29,-4.13,0,2,0, 258.502, 1
39169599
 
#40

EDASA Scientific: BB0268208
PubChem: 10680115
SureChEMBL: SCHEMBL9213944
Enamine BB Make on Demand: BBV-43572728
UORSY BB Make-on-demand: BBV-43572728...5 total

ref: mol2, SDF, SMILES, flexibase
3.58,6.2,-4.85,0,2,0, 214.051, 1
39043581
 
#41

EDASA Scientific: BB0268207
BOC Sciences BB (Depleted): 192432-78-3
PubChem: 10587335
Enamine BB Make on Demand: BBV-43572729
UORSY BB Make-on-demand: BBV-43572729...5 total

ref: mol2, SDF, SMILES, flexibase
3.71,6.3,-4.76,0,2,0, 258.502, 1

Similar to: 343435,
39019011
 
#42

EDASA Scientific: BB0268205
PubChem: 10560558
SureChEMBL: SCHEMBL9209121
Enamine BB Make on Demand: BBV-43572957
UORSY BB Make-on-demand: BBV-43572957...5 total

ref: mol2, SDF, SMILES, flexibase
3.55,6.19,-4.18,0,2,0, 214.051, 1

Similar to: 343435,
95951418
 
#43

EDASA Scientific: BB0265808, BB0268160
ref: mol2, SDF, SMILES, flexibase
2.64,5.45,-8.8,1,4,0, 269.385, 2
95951667
 
#44

EDASA Scientific: BB0267165, BB0268150
Molport BB: MolPort-038-387-162
ref: mol2, SDF, SMILES, flexibase
4.57,9.58,-10.01,0,4,0, 383.513, 3
95951746
 
#45

EDASA Scientific: BB0267164, BB0268149
Molport BB: MolPort-038-387-161
ref: mol2, SDF, SMILES, flexibase
3.77,10.88,-8.96,0,3,0, 333.431, 2
2144914
 
#46

EDASA Scientific: BB0268148
Apollo Scientific (Depleted): OR26209
ChemDB: 4732377
PubChem: 572934
SynQuest BB (Depleted: 97239...5 total

ref: mol2, SDF, SMILES, flexibase
4.89,8.07,-1.25,0,0,0, 270.008, 4
2144917
 
#47

EDASA Scientific: BB0268148
Apollo Scientific (Depleted): OR26209
ChemDB: 4732377
PubChem: 572934
SynQuest BB (Depleted: 97239...5 total

ref: mol2, SDF, SMILES, flexibase
4.89,8.07,-1.25,0,0,0, 270.008, 4
87724014
 
#48

EDASA Scientific: BB0268147
Enamine BB Make on Demand: BBV-43558291
ref: mol2, SDF, SMILES, flexibase
3.08,5,-4.35,0,2,0, 159.616, 3
98179339
 
#49

Ark Pharm Building Blocks: AK150129
EDASA Scientific: BB0268141
ref: mol2, SDF, SMILES, flexibase
1.88,4.01,-5.86,0,2,0, 143.573, 0
1679942
 
#50

EDASA Scientific: BB0268135
SureChEMBL: SCHEMBL2011421
ref: mol2, SDF, SMILES, flexibase
4.38,7.29,-1.27,0,0,0, 255.981, 3
90428768
 
#51

EDASA Scientific: BB0268135
SureChEMBL: SCHEMBL2011421
ref: mol2, SDF, SMILES, flexibase
4.38,7.29,-1.27,0,0,0, 255.981, 3
157624
 
#52

ChemMol: 1034121, 80100414, 1033548, 2200403
Scientific Exchange (make on demand): F-241901
Acros Organics: 18672
AKOS: AKOS000136944
Anward: ANW-66172...69 total

ref: mol2, SDF, SMILES, flexibase
1.42,2.59,-4.2,2,2,0, 137.182, 2

Similar to: 32191565, 34345718, 39305360,
19414702
 
#53

EDASA Scientific: BB0268129
Otava (Virtual): 3360793
PubChem: 28165524, 24688628
Enamine BB Make on Demand: BBV-058310
UORSY BB Make-on-demand: BBV-058310...6 total

ref: mol2, SDF, SMILES, flexibase
3.82,3.67,-8.35,2,5,0, 258.362, 6
19414700
 
#54

EDASA Scientific: BB0268129
Otava (Virtual): 4456994, 3360793
PubChem: 28165523, 24688628
Enamine BB Make on Demand: BBV-058310
UORSY BB Make-on-demand: BBV-058310...7 total

ref: mol2, SDF, SMILES, flexibase
3.82,3.54,-8.41,2,5,0, 258.362, 6
95761029
 
#55

Ark Pharm Building Blocks: AK-30834
EDASA Scientific: BB0268126
Lab Seeker Building Blocks: SC-36573
Synblock: AB65100
StruChem BB make-on-demand: SC-36573...6 total

ref: mol2, SDF, SMILES, flexibase
3.01,7.03,-6.66,0,3,0, 280.121, 3
19934307
 
#56

EDASA Scientific: BB0268125
PubChem: 28461665, 15098230, 42128080
Enamine BB Make on Demand: BBV-27277482
UORSY BB Make-on-demand: BBV-27277482
ref: mol2, SDF, SMILES, flexibase
1.74,3.87,-6.03,0,3,0, 190.246, 3

Similar to: 19934309,
19934309
 
#57

EDASA Scientific: BB0268125
PubChem: 28461666, 15098230, 42128081
Enamine BB Make on Demand: BBV-27277482
UORSY BB Make-on-demand: BBV-27277482
ref: mol2, SDF, SMILES, flexibase
1.74,3.87,-6.04,0,3,0, 190.246, 3

Similar to: 19934307,
35199133
 
#58

Acorn PharmaTech: ACN-C000877
Ark Pharm Building Blocks: AK139763
Capot Chemical: 23653
Chembo Pharma: KB-296417
EDASA Scientific: BB0268123...11 total

ref: mol2, SDF, SMILES, flexibase
0.74,4.33,-7.67,0,4,0, 168.196, 3

Similar to: 42606071,
15919789
 
#59

eMolecules: 29925679
Molport: MolPort-004-961-683
Acorn PharmaTech: ACN-C000878
AK Scientific: 3223AC
Alinda Building Blocks: ALBB-027472...31 total

ref: mol2, SDF, SMILES, flexibase
0.74,4.42,-9.11,0,4,0, 168.196, 3

Similar to: 39241159,
403240
 
#60

ChemMol: 1037727, 44010095
Scientific Exchange (make on demand): M-069333
AK Scientific: X4545
AKOS: AKOS000262223
Alinda: IBS-L0046194...45 total

ref: mol2, SDF, SMILES, flexibase
3.18,0.86,-4.17,0,1,0, 201.063, 1

Similar to: 39223138,
34350076
 
#61

EDASA Scientific: BB0268094
Enamine Building Blocks: EN300-140919
PubChem: 14719768
SureChEMBL: SCHEMBL3303667
UORSY BB Make-on-demand: BBV-39892635...5 total

ref: mol2, SDF, SMILES, flexibase
0.36,0.89,-5.27,0,3,0, 112.132, 2

Similar to: 1682023,
1746590
 
#62

ChemMol: 44017050
ACT Chemical BB: ACT09230
AK Scientific: V4503, W4410
AKOS: AKOS002678495
Alfa-Aesar: H51027...82 total

ref: mol2, SDF, SMILES, flexibase
2.79,-0.31,-4.26,2,1,0, 169.227, 1

Similar to: 6116760, 1257365, 1257867,
487876
 
#63

eMolecules: 2857397
Molport: MolPort-002-464-698
AKOS: AKOS000116511
Aldrich CPR: PH010819|ALDRICH
EDASA Scientific: BB0268085...27 total

ref: mol2, SDF, SMILES, flexibase
2.30,-1.45,-11.21,1,3,0, 205.257, 1

Similar to: 36882966, 37023371, 37098750, 41681348, ... 4 in total.
4218282
 
#64

eMolecules: 1542148
Molport: MolPort-002-023-869
AK Scientific: W7569
Aldrich CPR: OTV000352|ALDRICH
Alfa-Aesar: H63695...45 total

ref: mol2, SDF, SMILES, flexibase
1.70,5.91,-8.86,0,3,0, 186.214, 3

Similar to: 34926152, 34926154, 34926156, 39647296, ... 4 in total.
1433260
 
#65

AKOS: AKOS002665649
Aldrich CPR: CDS013302|ALDRICH
Bosche Scientific: P13151
Chembo Pharma: KB-99297, KB-44053
EDASA Scientific: BB0268070...12 total

ref: mol2, SDF, SMILES, flexibase
2.56,0.75,-7.7,1,2,0, 171.199, 2
1847415
 
#66

ChemMol: 44003393, 1034511, 30103616
eMolecules: 489347
Scientific Exchange (make on demand): F-441832
Acros Organics: 24198
Alfa-Aesar: A15698...40 total

ref: mol2, SDF, SMILES, flexibase
3.87,6.4,-3.96,0,0,0, 272.007, 1
39270585
 
#67

EDASA Scientific: BB0268067
PubChem: 12705190
ref: mol2, SDF, SMILES, flexibase
3.18,7.78,-5.08,1,1,0, 183.254, 1

Similar to: 5604493,
41200700
 
#68

EDASA Scientific: BB0268066
PubChem: 68779283
SureChEMBL: SCHEMBL3770108
ref: mol2, SDF, SMILES, flexibase
1.42,5.96,-11.32,0,2,0, 179.194, 1
158751
 
#69

ChemMol: 83603246, 30111438, 44008146, 1031569
eMolecules: 532378
Acros Organics: 13883, CC13004
AK Scientific: I729
Alfa-Aesar: A14344...104 total

ref: mol2, SDF, SMILES, flexibase
1.63,3.28,-5.86,0,1,0, 112.153, 1
5417003
 
#70

EDASA Scientific: BB0268056
TimTec: ST50989009
ChemDB: 6497727
PubChem: 5061615
SureChEMBL: SCHEMBL10035779...6 total

ref: mol2, SDF, SMILES, flexibase
2.97,1.02,-4.6,1,1,0, 157.216, 1

Similar to: 5738561, 38271789,
581965
 
#71

ChemMol: 44005398, 97800621, 30106536
eMolecules: 718300
Molport: MolPort-002-041-166
Scientific Exchange (make on demand): F-441725
Acorn PharmaTech: ACN-S004185...69 total

ref: mol2, SDF, SMILES, flexibase
3.19,1.5,-4.38,0,2,0, 262.046, 2

Similar to: 1259685, 34343378,
4200668
 
#72

eMolecules: 725218
Acros Organics: CC32910
AK Scientific: W5202
AKOS: AKOS009564869
Aldrich CPR: CDS004225|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
2.66,1.19,-5.6,0,2,0, 223.073, 1
12371482
 
#73

eMolecules: 31636059
Molport: MolPort-001-782-285
Aldrich CPR: PH003291|ALDRICH
Angene Building Blocks: AGN-PC-0NAQQ4
EDASA Scientific: BB0268053...20 total

ref: mol2, SDF, SMILES, flexibase
3.37,-0.17,-6.78,1,2,0, 201.269, 1

Similar to: 31983207, 31983209, 31983211, 31983214, 34519193, ... 19 in total.
2034883
 
#74

ChemMol: 44016143
AK Scientific: S744
Alfa-Aesar: L13410
American Custom Chemicals Corp.: HCH0027176
Anward: ANW-31787...37 total

ref: mol2, SDF, SMILES, flexibase
1.52,4.43,-4.55,0,2,0, 136.578, 3

Similar to: 2170190, 2170192, 5760790, 5760796, 6442742, ... 11 in total.
39094344
 
#75

Chemstep: 52748
EDASA Scientific: BB0268046
PubChem: 11263770
ref: mol2, SDF, SMILES, flexibase
1.85,2.92,-6.88,1,4,0, 172.228, 4
19300962
 
#76

eMolecules: 739119
Molport: MolPort-002-132-823, MolPort-001-939-232
AK Scientific: 5507AE
AKOS: AKOS000301888, AKOS000301460
Aldrich CPR: CDS006490|ALDRICH...76 total

ref: mol2, SDF, SMILES, flexibase
-2.21,-6.24,-12.58,3,4,0, 151.187, 0

Similar to: 1232032, 1232033,
391890
 
#77

ChemMol: 1203069, 97803933, 30111619
eMolecules: 489444
Molport: MolPort-019-857-239, MolPort-001-779-762, MolPort-020-001-051
Scientific Exchange (make on demand): K-030694
Acorn PharmaTech: ACN-S003884...169 total

ref: mol2, SDF, SMILES, flexibase
0.67,-1.31,-4.59,2,2,0, 118.176, 1

Similar to: 33866480, 33866481,
7887035
 
#78

AKOS: AKOS001105260
EDASA Scientific: BB0268041
Enamine (Depleted): Z26335729
IBM Patent Data: 136196026
PubChem: 9009559...5 total

ref: mol2, SDF, SMILES, flexibase
2.95,1.36,-13.03,0,5,0, 295.294, 5

Similar to: 7895307,
1043220
 
#79

eMolecules: 859241
AKOS: AKOS000295381
Aldrich CPR: S410764|ALDRICH
Ark Pharm Building Blocks: AK-62552
Chembo Pharma: KB-45746...29 total

ref: mol2, SDF, SMILES, flexibase
3.76,0.16,-4.93,1,1,0, 185.27, 0

Similar to: 5310396, 34218871, 34471690, 34471691, 34521949, ... 24 in total.
1627187
 
#80

Molport: MolPort-001-815-167
Aldrich CPR: S504661|ALDRICH
BOC Sciences BB: 10487-96-4
Chembo Pharma: KB-13138
EDASA Scientific: BB0268036...19 total

ref: mol2, SDF, SMILES, flexibase
2.75,-0.9,-2.93,1,1,0, 162.232, 1

Similar to: 34568318, 34618379, 34618381, 36160420, 36160424, ... 11 in total.
154987
 
#81

ChemMol: 30116211, 44032021
eMolecules: 517144
Molport: MolPort-000-893-807
AK Scientific: Y8008
AKOS: AKOS000112566...54 total

ref: mol2, SDF, SMILES, flexibase
2.73,-0.4,-6.43,1,2,0, 248.019, 1

Similar to: 4290804,
34541664
 
#82

EDASA Scientific: BB0268034
Otava (Virtual): 4487527
PubChem: 10867473
Enamine BB Make on Demand: BBV-44241142
ref: mol2, SDF, SMILES, flexibase
0.08,3.24,-11.86,0,4,0, 206.245, 2
lo: mol2, SDF, SMILES, flexibase
0.08,3.71,-37.3,1,4,1, 207.253, 2

Similar to: 47414803, 47607878, 47607909, 47607911, 47607913, ... 8 in total.
75641
 
#83

eMolecules: 1101046
Molport: MolPort-001-623-392
Scientific Exchange (make on demand): H-079325
AKOS: AKOS000490923
Aldrich CPR: S493309|ALDRICH...30 total

ref: mol2, SDF, SMILES, flexibase
0.26,4.7,-11.63,0,3,0, 222.313, 3
lo: mol2, SDF, SMILES, flexibase
0.26,5.15,-36.09,1,3,1, 223.321, 3

Similar to: 39711860,
164516
 
#84

ChemMol: 1201586, 44014302
Acros Organics: 12671
AKOS: AKOS008908823
Alfa-Aesar: B20853
Angene Building Blocks: AGN-PC-0JLPT4...40 total

ref: mol2, SDF, SMILES, flexibase
1.05,3.75,-5.06,0,2,0, 100.117, 2

Similar to: 2556884,
1733911
 
#85

eMolecules: 6774576
Molport: MolPort-002-710-063
BioBlocks: A2525/0107348
Chemical Block: A2525/0107348
EDASA Scientific: BB0268029...21 total

ref: mol2, SDF, SMILES, flexibase
-1.35,-2.84,-13.15,2,4,0, 116.12, 3

Similar to: 5826404,
1591817
 
#86

Molport: MolPort-027-640-476, MolPort-001-793-100
Acros Organics: 14936, 42878, 16858, 39689, 44748, 18079
Alfa-Aesar: A13292, 42522, 41793, 40471, A17459, 43903, 42378, 31733, 42819, 42377, 41237, 32444
Anward: ANW-16099
BePharm Building Blocks: B151381...389 total

ref: mol2, SDF, SMILES, flexibase
-0.43,-1.94,-4.77,1,2,0, 76.095, 2
2571864
 
#87

ChemMol: 1031296, 30108701, 97801034, 1200383, 44004828, 2100221, 98001608
Acorn PharmaTech: ACN-S004459
Acros Organics: 39180
AKOS: AKOS015853870
Angene Building Blocks: AGN-PC-0KKN5T...65 total

ref: mol2, SDF, SMILES, flexibase
2.73,1.66,-6.08,0,1,0, 229.02, 0

Similar to: 39244271, 39246504, 39249367,
112431
 
#88

ChemMol: 44012136, 1035686
eMolecules: 500575
Acros Organics: 44957
AK Scientific: X9400
AKOS: AKOS001295409...76 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.6,-7.92,0,2,0, 154.172, 0
lo: mol2, SDF, SMILES, flexibase
2.04,1.67,-34.3,1,2,1, 155.18, 0

Similar to: 32207848, 39119720, 39283393,
407075
 
#89

ChemMol: 1200720, 44033113, 1035761, 98000160
eMolecules: 491144
Scientific Exchange (make on demand): F-441829
Acros Organics: 22195
Alfa-Aesar: A17020...58 total

ref: mol2, SDF, SMILES, flexibase
3.78,6.11,-2.76,0,0,0, 282.906, 0
164585
 
#90

ChemMol: 30100712, 44008936, 1200380, 98000305, 1031287, 97800075
eMolecules: 484596
Acros Organics: 10669
Alfa-Aesar: A10679
Angene Building Blocks: AGN-PC-009YOP...73 total

ref: mol2, SDF, SMILES, flexibase
2.45,1.75,-6.45,0,1,0, 182.02, 0

Similar to: 39268365, 39648655,
967488
 
#91

ChemMol: 44020875
AK Scientific: 3184AB
Anward: ANW-66127
Ark Pharm Building Blocks: AK-84792
BePharm Building Blocks: B236471...34 total

ref: mol2, SDF, SMILES, flexibase
2.53,0.7,-4.59,1,1,0, 143.189, 1
12358696
 
#92

Molport: MolPort-001-763-557
Scientific Exchange (make on demand): Z-092647
AF ChemPharm: CP/8V-005
AKOS: AKOS004907918
Alfa-Aesar: A11804...52 total

ref: mol2, SDF, SMILES, flexibase
1.90,2.8,-7.07,1,2,0, 135.166, 1

Similar to: 33845909, 39244372,
404761
 
#93

ChemMol: 30103510, 44003273, 98000171, 1035863
eMolecules: 485145
Acorn PharmaTech: ACN-S002720
Acros Organics: 21838
AKOS: AKOS000185502...62 total

ref: mol2, SDF, SMILES, flexibase
3.83,6.21,-1.19,0,0,0, 282.906, 0
2031136
 
#94

ChemMol: 44003829, 30104229
eMolecules: 479749
Molport: MolPort-001-787-388
Alfa-Aesar: L10646
Angene Building Blocks: AGN-PC-0JKAXU...63 total

ref: mol2, SDF, SMILES, flexibase
3.14,4.8,-2.2,1,1,0, 135.21, 2

Similar to: 34478676, 34826829, 34826830, 34964375, 34964381, ... 6 in total.
2168476
 
#95

ChemMol: 1035787
eMolecules: 504020
Acros Organics: TL00311
AKOS: AKOS005145656
Alfa-Aesar: A13232...41 total

ref: mol2, SDF, SMILES, flexibase
3.85,6.81,-1.93,0,0,0, 232.064, 0
21982822
 
#96

Molport: MolPort-008-637-713
Ark Pharm Building Blocks: AK144247
EDASA Scientific: BB0268008
Life Chemicals: F2189-0116
Life Chemicals Building Blocks: F2189-0116...14 total

ref: mol2, SDF, SMILES, flexibase
2.02,4.16,-9.95,1,3,0, 268.11, 1
29458487
 
#97

EDASA Scientific: BB0268007
Otava (Virtual): 3360791
ref: mol2, SDF, SMILES, flexibase
1.55,4.74,-14.65,1,5,0, 256.346, 4
29458485
 
#98

EDASA Scientific: BB0268007
Otava (Virtual): 4456819, 3360791
PubChem: 16085516
ref: mol2, SDF, SMILES, flexibase
1.55,4.74,-14.52,1,5,0, 256.346, 4
403447
 
#99

ChemMol: 44028474, 97803498
Scientific Exchange (make on demand): R-045023
Acros Organics: 39855
AK Scientific: X9811
AKOS: AKOS003477424...42 total

ref: mol2, SDF, SMILES, flexibase
3.64,-0.35,-5.23,1,3,0, 272.142, 3

Similar to: 2599339, 5310627, 44238644,
1670361
 
#100

Molport: MolPort-002-501-623
AKOS: AKOS015839612
Chembo Pharma: KB-194159
EDASA Scientific: BB0268004
FineTech: FT-0619436...40 total

ref: mol2, SDF, SMILES, flexibase
3.30,1.82,-3.12,0,1,0, 150.221, 3

Similar to: 2579416, 34557625,

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 = 673 ) limit 0,100

Smiles were