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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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59289408
 
#1

A&J Pharmtech: AJ-02230
AK Scientific: Y7495
Anward: ANW-69141
Apexmol Building Blocks: AM20020466
Ark Pharm Building Blocks: AK-42007...18 total

ref: mol2, SDF, SMILES, flexibase
2.52,7.53,-3.92,0,0,0, 142.201, 1
32098749
 
#2

ChemMol: 44019431
Molport: MolPort-002-499-384
A&J Pharmtech: AJ-00383
ACT Chemical BB: ACT08543
BOC Sciences BB: 141345-08-6...19 total

ref: mol2, SDF, SMILES, flexibase
3.48,7.4,-1.59,0,0,0, 136.238, 2
1433258
 
#3

ChemMol: 1034438, 30107209, 44005774
A&J Pharmtech: AJ-00846
AKOS: AKOS015853187
APIChem: AC-19410
Apollo Scientific: PC5951...29 total

ref: mol2, SDF, SMILES, flexibase
3.42,7.7,-3.25,0,0,0, 238.13, 2
2534482
 
#4

ChemMol: 44005484, 30106668
A&J Pharmtech: AJ-00849
Acorn PharmaTech: ACN-S002659
Acros Organics: 44279
ACT Chemical BB: ACT10256...53 total

ref: mol2, SDF, SMILES, flexibase
2.51,6.31,-3.05,0,0,0, 181.032, 0
2386378
 
#5

ChemMol: 83601312, 44005763
A&J Pharmtech: AJ-00875
Acros Organics: 43537
AK Scientific: 0923AC
AKOS: AKOS009156709...43 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.69,-3.54,0,0,0, 170.133, 1
1845607
 
#6

ChemMol: 44005777, 30107211
Molport: MolPort-000-002-831
A&J Pharmtech: AJ-00433
Acorn PharmaTech: ACN-S004503, ACN-S002662
Acros Organics: 37706...56 total

ref: mol2, SDF, SMILES, flexibase
2.38,6.2,-3.06,0,0,0, 136.581, 0
2534483
 
#7

ChemMol: 44005769, 30107206
A&J Pharmtech: AJ-00861
Acorn PharmaTech: ACN-S002660
Acros Organics: 37137
ACT Chemical BB: ACT00296...62 total

ref: mol2, SDF, SMILES, flexibase
1.86,5.76,-3.96,0,0,0, 120.126, 0

Similar to: 39049173,
2513052
 
#8

ChemMol: 44005761, 30112069
Molport: MolPort-002-499-586
A&J Pharmtech: AJ-00872
AK Scientific: 5767AB
Aldrich CPR: CDS008038|ALDRICH...24 total

ref: mol2, SDF, SMILES, flexibase
2.71,0.56,-3.71,0,1,0, 185.27, 1

Similar to: 34338625, 34343474, 36374995,
1405437
 
#9

ChemMol: 44016898
Molport: MolPort-002-499-688
A&J Pharmtech: AJ-00845
ACT Chemical BB: ACT10393
AK Scientific: W8697...26 total

ref: mol2, SDF, SMILES, flexibase
3.35,2.85,-5.43,0,1,0, 208.26, 3

Similar to: 34570646, 34625163,
2513051
 
#10

ChemMol: 44020833
Molport: MolPort-002-499-630
A&J Pharmtech: AJ-00871
AK Scientific: 5787AB
Anward: ANW-54700...25 total

ref: mol2, SDF, SMILES, flexibase
3.46,3.31,-5.02,0,1,0, 194.233, 2

Similar to: 39259819, 39286377, 39286378, 39286385, ... 4 in total.
32098924
 
#11

ChemMol: 44020715
Molport: MolPort-002-499-437
A&J Pharmtech: AJ-00870
AK Scientific: W5203
AKOS: AKOS010651579...42 total

ref: mol2, SDF, SMILES, flexibase
2.88,7.95,-5.14,0,0,0, 152.196, 0

Similar to: 36088235,
2513043
 
#12

ChemMol: 44005775
Molport: MolPort-002-499-557
A&J Pharmtech: AJ-00848
AK Scientific: W8343
AKOS: AKOS005146038...35 total

ref: mol2, SDF, SMILES, flexibase
2.49,6.3,-3.64,0,0,0, 181.032, 0
2387139
 
#13

ChemMol: 30107210, 44005776
A&J Pharmtech: AJ-00847
AK Scientific: 1939AC
AKOS: AKOS015835891
APIChem: AC-19412...36 total

ref: mol2, SDF, SMILES, flexibase
2.46,6.23,-4.57,0,0,0, 181.032, 0
2565808
 
#14

ChemMol: 44005762
A&J Pharmtech: AJ-00873
AK Scientific: 0909AC
AKOS: AKOS010651578
Alfa-Aesar: H53478...34 total

ref: mol2, SDF, SMILES, flexibase
2.55,6.56,-6.09,0,0,0, 170.133, 1
2569924
 
#15

ChemMol: 44005771, 30107208
A&J Pharmtech: AJ-00860, AJ-00859
Acorn PharmaTech: ACN-S004393
Acros Organics: 38099
ACT Chemical BB: ACT10250...45 total

ref: mol2, SDF, SMILES, flexibase
1.82,5.73,-5.84,0,0,0, 120.126, 0
2513053
 
#16

ChemMol: 44021163
A&J Pharmtech: AJ-00874
AK Scientific: 4463AC
AKOS: AKOS010651615
Anward: ANW-73295...22 total

ref: mol2, SDF, SMILES, flexibase
2.62,5.51,-5.15,0,1,0, 186.132, 2
66338969
 
#17

A&J Pharmtech: AJ-02597
AKOS: AKOS015836198
Tractus: TRA0074809
AKOS BB (make-on-demand): AKOS015836198
PubChem: 46941549...5 total

ref: mol2, SDF, SMILES, flexibase
-2.06,5.4,-43.01,1,2,1, 143.169, 0
32219242
 
#18

ChemMol: 44020018
A&J Pharmtech: AJ-02863
Ark Pharm Building Blocks: AK-25538
Bide Pharmatech BB: BD27880
BOC Sciences BB: 18655-47-5...18 total

ref: mol2, SDF, SMILES, flexibase
0.14,0.73,-22.01,0,3,0, 100.073, 3
mid: mol2, SDF, SMILES, flexibase
-0.56,0.79,-37.21,0,3,-1, 99.065, 2

Similar to: 59195351, 1589727, 1866952, 5012291, 5355928, ... 5 in total.
1668115
 
#19

ChemMol: 30110434, 97802014, 1033352, 44009460
A&J Pharmtech: AJ-00165, AJ-00166
ACT Chemical BB: ACT01300
AK Scientific: V0655
AKOS: AKOS000275046...68 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.42,-5.72,2,4,0, 192.005, 1
3882165
 
#20

ChemMol: 44018943
eMolecules: 1837782
Molport: MolPort-002-498-060
A&J Pharmtech: AJ-00676
AK Scientific: 8786AB...24 total

ref: mol2, SDF, SMILES, flexibase
6.52,-0.91,-3.23,1,1,0, 307.316, 14

Similar to: 4202299, 4202300, 4202490, 32227334, 34399009, ... 16 in total.
34410321
 
#21

A&J Pharmtech: AJ-02861
AK Scientific: 5879AB
Ark Pharm Building Blocks: AK114098
BePharm Building Blocks: B28706
Chembo Pharma: KB-10652...18 total

ref: mol2, SDF, SMILES, flexibase
-1.24,-3.02,-6.35,2,3,0, 118.132, 4
26894078
 
#22

ChemMol: 30117022
A&J Pharmtech: AJ-02943
AK Scientific: W4857
Angene Building Blocks: AGN-PC-0MZ9Y4
Anward: ANW-25679...34 total

ref: mol2, SDF, SMILES, flexibase
-0.28,0.03,-10.34,2,4,0, 133.538, 1
mid: mol2, SDF, SMILES, flexibase
0.17,-0.77,-22.16,2,4,0, 133.538, 1
hi: mol2, SDF, SMILES, flexibase
0.17,-2.07,-39.46,1,4,-1, 132.53, 1
12505193
 
#23

eMolecules: 206844389
Molport: MolPort-000-003-943
Scientific Exchange (make on demand): POD_03/0150
A&J Pharmtech: AJ-02952
Acros Organics: 39053...78 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-1.74,-5.88,3,3,0, 74.083, 0
lo: mol2, SDF, SMILES, flexibase
-0.29,-1.88,-30.46,4,3,1, 75.091, 0
lo: mol2, SDF, SMILES, flexibase
-0.29,-1.8,-30.59,4,3,1, 75.091, 0
14984897
 
#24

ChemMol: 97802451, 44024662, 96709708
A&J Pharmtech: AJ-03007
Acorn PharmaTech: ACN-S002731
AK Scientific: V2201
Aldrich CPR: CDS020262|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
1.07,3.78,-10.15,0,2,0, 152.584, 0
ref: mol2, SDF, SMILES, flexibase
1.07,3.78,-10.14,0,2,0, 152.584, 0
ref: mol2, SDF, SMILES, flexibase
2.28,4.22,-7.23,1,2,0, 152.584, 0

Similar to: 44712692,
2569653
 
#25

ChemMol: 44014056, 44013387
Molport: MolPort-001-770-786
A&J Pharmtech: AJ-00715
Acros Organics: 11157
AK Scientific: W9582...83 total

ref: mol2, SDF, SMILES, flexibase
0.40,3.23,-4.15,0,1,0, 82.102, 0

Similar to: 38233791,
1721045
 
#26

ChemMol: 44013119
A&J Pharmtech: AJ-00714
Angene Building Blocks: AGN-PC-0JP5LW
Anward: ANW-56631
Ark Pharm Building Blocks: AK101144...36 total

ref: mol2, SDF, SMILES, flexibase
0.59,0.74,-2.64,1,1,0, 84.118, 0

Similar to: 34478403, 39223838, 39223840, 39249298, ... 4 in total.
54962312
 
#27

A&J Pharmtech: AJ-00902
AK Scientific: W5655
AKOS: AKOS005145509
Angene Building Blocks: AGN-PC-0NI6SD
Anward: ANW-28015...25 total

ref: mol2, SDF, SMILES, flexibase
0.58,3.94,-10,0,2,0, 123.155, 0

Similar to: 39389470, 39389471,
4202266
 
#28

ChemMol: 97602871, 44014524
A&J Pharmtech: AJ-02969
AK Scientific: W8109
AKOS: AKOS015833846
American Custom Chemicals Corp.: HCH0014763...39 total

ref: mol2, SDF, SMILES, flexibase
0.55,1.55,-9.02,1,2,0, 178.029, 1

Similar to: 4202905, 39297207, 39297209,
4202249
 
#29

ChemMol: 97801052, 44001974, 83601479, 97602710
eMolecules: 501442, 4361853
Molport: MolPort-000-003-960, MolPort-000-004-281
A&J Pharmtech: AJ-02968
Acorn PharmaTech: ACN-S003447...90 total

ref: mol2, SDF, SMILES, flexibase
-0.82,-2.63,-9.63,2,3,0, 115.132, 1

Similar to: 4202342, 32228246, 32228248, 34402648, 34405447, ... 10 in total.
389636
 
#30

ChemMol: 44010507, 1030638, 30111904, 97602661
Molport: MolPort-002-499-362
A&J Pharmtech: AJ-02765
Acorn PharmaTech: ACN-S003510
Acros Organics: 33764...66 total

ref: mol2, SDF, SMILES, flexibase
-1.47,-1.42,-11.32,1,3,0, 116.116, 1

Similar to: 34361866, 34448354, 34566610,
32627957
 
#31

Molport: MolPort-008-425-858
A&J Pharmtech: AJ-00903
AK Scientific: W7966
AKOS: AKOS015919976
Amadis Chemical: A846151...33 total

ref: mol2, SDF, SMILES, flexibase
1.29,4,-6.92,0,3,0, 167.208, 0

Similar to: 33800413, 34330288, 34330289, 34330290, 34330291, ... 10 in total.
4744355
 
#32

ChemMol: 44019427
A&J Pharmtech: AJ-00395
Acros Organics: 11123
ACT Chemical BB: ACT10372
AK Scientific: S439...50 total

ref: mol2, SDF, SMILES, flexibase
1.33,1.41,-2.6,1,1,0, 98.145, 0

Similar to: 8615913, 33965985, 34621802, 34621803, 34621804, ... 9 in total.
967469
 
#33

ChemMol: 44028193
eMolecules: 535741
Molport: MolPort-001-600-611
Scientific Exchange (make on demand): M-663132
A&J Pharmtech: AJ-02682...61 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.22,-4.63,1,2,0, 99.133, 0
ref: mol2, SDF, SMILES, flexibase
1.54,1.68,-1.79,0,2,0, 99.133, 1
26515443
 
#34

eMolecules: 37475831
Molport: MolPort-008-643-864
A&J Pharmtech: AJ-02858
Anward: ANW-75176
Ark Pharm Building Blocks: AK102942...22 total

ref: mol2, SDF, SMILES, flexibase
1.23,5.82,-14.44,0,2,0, 151.209, 2

Similar to: 5560806, 21990451, 1717273, 154063, 4216043, ... 9 in total.
17173225
 
#35

eMolecules: 36084177
Molport: MolPort-004-759-682
A&J Pharmtech: AJ-00904
Chemstep: 20305
Enamine Building Blocks: EN300-59803...16 total

ref: mol2, SDF, SMILES, flexibase
1.00,-0.36,-11.48,2,3,0, 163.242, 1
hi: mol2, SDF, SMILES, flexibase
1.00,0.33,-40.79,1,3,-1, 162.234, 1

Similar to: 3631470, 3631471,
6675630
 
#36

Molport: MolPort-005-836-838, MolPort-000-932-255
A&J Pharmtech: AJ-03029
AKOS: AKOS000669727
Asinex: BAS09627004
Chembo Pharma: KB-124591...30 total

ref: mol2, SDF, SMILES, flexibase
1.12,1.83,-6.74,1,3,0, 184.264, 1
mid: mol2, SDF, SMILES, flexibase
1.85,1.15,-39.87,0,3,-1, 183.256, 1

Similar to: 26515822, 34346188, 34346189, 34346190, 34964276, ... 14 in total.
5189240
 
#37

ChemMol: 44005847
Molport: MolPort-002-499-394
A&J Pharmtech: AJ-00377, AJ-00376
Aldrich CPR: CDS004039|ALDRICH
Angene Building Blocks: AGN-PC-0JLT32...29 total

ref: mol2, SDF, SMILES, flexibase
3.43,1.53,-4.51,0,1,0, 140.226, 1

Similar to: 34467441, 34568574, 34568578, 39366358, 39366359, ... 10 in total.
3860817
 
#38

ChemMol: 44025236, 30104772, 1202986
eMolecules: 533170
Molport: MolPort-001-768-850
A&J Pharmtech: AJ-02691
Acros Organics: 14078...114 total

ref: mol2, SDF, SMILES, flexibase
0.33,0.9,-7.08,1,2,0, 99.133, 0
12650791
 
#39

ChemMol: 44010984, 44010256, 30112921, 44014117
eMolecules: 17414179
Molport: MolPort-002-499-360
A&J Pharmtech: AJ-00751
ACT Chemical BB: ACT02046...56 total

ref: mol2, SDF, SMILES, flexibase
-1.19,-2.46,-8.07,2,3,0, 115.132, 0

Similar to: 16698381,
12650794
 
#40

ChemMol: 44020182, 44029652, 44028192, 30116721
Molport: MolPort-002-499-339
A&J Pharmtech: AJ-00752
AK Scientific: W3313, W5588, V1326
AKOS: AKOS015855222...83 total

ref: mol2, SDF, SMILES, flexibase
-1.09,-3.1,-8.47,2,3,0, 101.105, 0

Similar to: 32098903, 32107019,
32137497
 
#41

Molport: MolPort-021-783-536
A&J Pharmtech: AJ-02862
AK Scientific: 8340AB
Anward: ANW-59526
Ark Pharm Building Blocks: AK-49929...20 total

ref: mol2, SDF, SMILES, flexibase
-0.54,-3.38,-6.36,2,4,0, 162.185, 4

Similar to: 1691694, 160676, 389624, 1735931, 5741790, ... 5 in total.
31829380
 
#42

ChemMol: 97300858, 97300759, 44021008, 97300760, 1035433
A&J Pharmtech: AJ-00709
ACT Chemical BB: ACT10038
AK Scientific: Y9476, 3470AA, 0400AC
AKOS: AKOS015849814...69 total

ref: mol2, SDF, SMILES, flexibase
0.27,0.64,-4.36,1,2,0, 96.133, 0

Similar to: 34223729, 34223730, 34539728,
22005601
 
#43

ChemMol: 44008062, 1035433, 30111984, 97300759, 97300858
Molport: MolPort-023-046-900
A&J Pharmtech: AJ-00708
AK Scientific: 3470AA, K817, Y9476
AKOS: AKOS015849400...87 total

ref: mol2, SDF, SMILES, flexibase
0.27,0.7,-6.15,1,2,0, 96.133, 0

Similar to: 31829380, 34223729, 34223730, 34539728, ... 5 in total.
24408467
 
#44

Molport: MolPort-008-545-496
A&J Pharmtech: AJ-03042
AK Scientific: 0704AF
Ark Pharm Building Blocks: AK157647
Fluorochem: 331699...20 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.26,-7.45,1,3,0, 133.154, 0
ref: mol2, SDF, SMILES, flexibase
0.97,3.15,-5.26,1,3,0, 133.154, 0
hi: mol2, SDF, SMILES, flexibase
0.97,3.01,-34.51,0,3,-1, 132.146, 0
26506268
 
#45

Molport: MolPort-019-846-330
A&J Pharmtech: AJ-03043
Apexmol Building Blocks: AM803974
Ark Pharm Building Blocks: AK137767
Chembo Pharma: KB-216501...16 total

ref: mol2, SDF, SMILES, flexibase
0.58,1.69,-6.34,3,3,0, 123.159, 0
lo: mol2, SDF, SMILES, flexibase
0.58,1.76,-29.34,4,3,1, 124.167, 0

Similar to: 26511345,
4071720
 
#46

ChemMol: 97802331
A&J Pharmtech: AJ-02946
AK Scientific: V7609
Angene Building Blocks: AGN-PC-0KL6GW
Anward: ANW-36573...26 total

ref: mol2, SDF, SMILES, flexibase
-0.84,-4.04,-13.88,2,4,0, 117.104, 1

Similar to: 34581098, 36757552,
31829370
 
#47

ChemMol: 44019420
A&J Pharmtech: AJ-00710
American Custom Chemicals Corp.: CCH0005791, CHM0015888
Chembo Pharma: KB-03317
Fluorochem: 011654...28 total

ref: mol2, SDF, SMILES, flexibase
0.24,0.56,-7.11,1,2,0, 114.173, 0

Similar to: 32098888, 4254014,
66054254
 
#48

ChemMol: 96707479
Molport: MolPort-015-157-217
A&J Pharmtech: AJ-01873
Adesis: 4-372
AK Scientific: 2616AD...14 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.81,-6.58,1,2,0, 176.194, 2
66054283
 
#49

Molport: MolPort-015-157-194
A&J Pharmtech: AJ-01911
Adesis: 3-146
AK Scientific: 3067AD
Aldrich CPR: ADE000866|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.97,-7.17,0,2,0, 170.215, 2
14401218
 
#50

ChemMol: 96706826
A&J Pharmtech: AJ-01270
Adesis: 16-100
AK Scientific: 4526AF
AKOS: AKOS015837851...18 total

ref: mol2, SDF, SMILES, flexibase
6.80,11.63,-11.93,1,6,0, 427.932, 8

Similar to: 31494296, 31494298, 2383304,
2535676
 
#51

A&J Pharmtech: AJ-02878
AK Scientific: 8396AA
Anward: ANW-65269
Ark Pharm Building Blocks: AK102929
BePharm Building Blocks: B234468...13 total

ref: mol2, SDF, SMILES, flexibase
1.97,2.33,-8.84,0,2,0, 170.252, 7
2528020
 
#52

ChemMol: 97800948, 44004679
A&J Pharmtech: AJ-02859
Acros Organics: 36931
AKOS: AKOS008953235
Alfa-Aesar: H65226...51 total

ref: mol2, SDF, SMILES, flexibase
-0.34,1.51,-6.16,0,3,0, 103.121, 1
2510356
 
#53

ChemMol: 44006593, 30112597
eMolecules: 1836037
Molport: MolPort-002-499-441
A&J Pharmtech: AJ-00108
AKOS: AKOS001372662...52 total

ref: mol2, SDF, SMILES, flexibase
-0.44,2.24,-10.06,1,3,0, 155.197, 1

Similar to: 34332645, 34525956, 36879948, 36879958, 36879987, ... 11 in total.
38534044
 
#54

ChemMol: 96707145
A&J Pharmtech: AJ-00983
Adesis: 2-815
AK Scientific: Z6416
Aldrich CPR: ADE000679|ALDRICH...15 total

ref: mol2, SDF, SMILES, flexibase
-0.66,1.89,-28.17,2,4,0, 152.153, 1
38534051
 
#55

ChemMol: 96707151
A&J Pharmtech: AJ-00985
Adesis: 2-818
AK Scientific: 0585AD
Aldrich CPR: ADE000682|ALDRICH...16 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.25,-15.77,2,4,0, 278.049, 1
343408
 
#56

ChemMol: 1032698, 30111797, 44013474, 1202921, 42306978
eMolecules: 526701
Molport: MolPort-000-001-295
A&J Pharmtech: AJ-00022
Acros Organics: 44242...60 total

ref: mol2, SDF, SMILES, flexibase
1.24,3.66,-12.11,1,3,0, 215.05, 1
lo: mol2, SDF, SMILES, flexibase
1.24,3.43,-28.82,2,3,1, 216.058, 1

Similar to: 36761513,
12647895
 
#57

ChemMol: 2000630, 44016302, 96711146
Molport: MolPort-002-500-274
A&J Pharmtech: AJ-00080
Bosche Scientific: A18049
Element Store BB: b2star-12125-03-0...17 total

ref: mol2, SDF, SMILES, flexibase
2.32,6.95,-19.1,1,7,0, 374.437, 3
3880911
 
#58

ChemMol: 44013477, 30114157
A&J Pharmtech: AJ-00001
AK Scientific: 0875AA
Aldrich CPR: CDS006352|ALDRICH
APIChem: AC-9091...24 total

ref: mol2, SDF, SMILES, flexibase
0.80,3.11,-16.63,1,4,0, 205.213, 1

Similar to: 34521023,
12647899
 
#59

ChemMol: 96711147, 2000631, 44016305
Molport: MolPort-002-500-254
A&J Pharmtech: AJ-00081
Bosche Scientific: A18050
Fluorochem: 041331...15 total

ref: mol2, SDF, SMILES, flexibase
3.23,7.8,-14.11,1,6,0, 360.454, 3
38534046
 
#60

ChemMol: 96707146
A&J Pharmtech: AJ-00984
Adesis: 2-816
AK Scientific: 0605AD
Aldrich CPR: ADE000680|ALDRICH...17 total

ref: mol2, SDF, SMILES, flexibase
1.00,-0.13,-8.54,2,4,0, 278.049, 1
mid: mol2, SDF, SMILES, flexibase
1.00,0.63,-36.71,1,4,-1, 277.041, 1
hi: mol2, SDF, SMILES, flexibase
1.00,1.1,-18.87,2,4,0, 278.049, 1
lo: mol2, SDF, SMILES, flexibase
1.00,0.34,-31.25,3,4,1, 279.057, 1
35270285
 
#61

ChemMol: 96706865
A&J Pharmtech: AJ-01406
Adesis: 2-521
AK Scientific: 8005AC
Aldrich CPR: ADE000446|ALDRICH...17 total

ref: mol2, SDF, SMILES, flexibase
2.58,5.47,-6.54,0,3,0, 341.93, 2
66054256
 
#62

ChemMol: 96707432
Molport: MolPort-015-157-097
A&J Pharmtech: AJ-01882
Adesis: 2-1055
AK Scientific: Z7758...22 total

ref: mol2, SDF, SMILES, flexibase
2.12,4.03,-5.45,0,2,0, 218.025, 1
66054264
 
#63

ChemMol: 96707490
Molport: MolPort-015-157-229
A&J Pharmtech: AJ-01888
Adesis: 4-385
AK Scientific: 2675AD...14 total

ref: mol2, SDF, SMILES, flexibase
1.40,4.34,-10.05,1,3,0, 178.166, 1
35270311
 
#64

ChemMol: 96706761
A&J Pharmtech: AJ-01376
Adesis: 2-539
AK Scientific: X7999
Aldrich CPR: ADE000464|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
0.80,2.47,-8.51,0,3,0, 151.165, 2
12648931
 
#65

ChemMol: 96706738
A&J Pharmtech: AJ-01807
Adesis: 2-947
AK Scientific: 1939AF
AKOS: AKOS015834453...22 total

ref: mol2, SDF, SMILES, flexibase
2.52,4.24,-7.3,0,2,0, 234.48, 1
39961310
 
#66

ChemMol: 44031482, 96707390
A&J Pharmtech: AJ-01799
Adesis: 2-926
AK Scientific: 3519AA
Aldrich CPR: ADE000775|ALDRICH...23 total

ref: mol2, SDF, SMILES, flexibase
1.88,3.67,-7.85,0,2,0, 173.574, 1
14401096
 
#67

ChemMol: 96706814
A&J Pharmtech: AJ-01291
Adesis: 4-232
AK Scientific: 7365AC
Aldrich CPR: ADE000953|ALDRICH...17 total

ref: mol2, SDF, SMILES, flexibase
2.15,5.3,-9.95,1,3,0, 286.072, 1
57218603
 
#68

eMolecules: 32442063
Molport: MolPort-016-636-089
A&J Pharmtech: AJ-02847
AK Scientific: 5438AB
Aldrich CPR: PH010255|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
2.94,6.04,-8.43,1,2,0, 190.242, 1
hi: mol2, SDF, SMILES, flexibase
2.94,7.05,-56.3,0,2,-1, 189.234, 1

Similar to: 4200502, 39274695, 39387395, 39387396, ... 4 in total.
66054235
 
#69

Molport: MolPort-015-157-190
A&J Pharmtech: AJ-01854
Adesis: 3-142
AK Scientific: 3063AD
Aldrich CPR: ADE000862|ALDRICH...15 total

ref: mol2, SDF, SMILES, flexibase
1.23,3.48,-11.51,0,3,0, 172.187, 1
39961373
 
#70

ChemMol: 96707430
A&J Pharmtech: AJ-01739
Adesis: 5-209
AK Scientific: Z8214
Aldrich CPR: ADE001202|ALDRICH...17 total

ref: mol2, SDF, SMILES, flexibase
1.24,3.41,-10.39,0,3,0, 161.16, 1
14401070
 
#71

ChemMol: 96706854
A&J Pharmtech: AJ-01277
Adesis: 4-211
AK Scientific: 6212AC
Aldrich CPR: ADE000943|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
1.14,4.2,-10.26,1,3,0, 160.176, 1
39961293
 
#72

ChemMol: 96707373
A&J Pharmtech: AJ-01760
Adesis: 2-903
AK Scientific: 0878AD
Aldrich CPR: ADE000753|ALDRICH...15 total

ref: mol2, SDF, SMILES, flexibase
1.07,1.86,-7.04,0,4,0, 181.191, 3
12651097
 
#73

ChemMol: 30112063, 44010420
A&J Pharmtech: AJ-00843
APIChem: AC-6447
Chembo Pharma: KB-196545
Fluorochem: 041359...12 total

ref: mol2, SDF, SMILES, flexibase
5.64,12.14,-9.39,1,3,0, 378.475, 6
3861306
 
#74

ChemMol: 96700261
eMolecules: 485883
Scientific Exchange (make on demand): X-015992
A&J Pharmtech: AJ-02770
Acros Organics: 17675...78 total

ref: mol2, SDF, SMILES, flexibase
1.34,4.03,-7.52,0,3,0, 178.187, 1

Similar to: 36182309, 39233563,
2513861
 
#75

ChemMol: 44024351, 97802174, 30102118
Molport: MolPort-000-001-331
A&J Pharmtech: AJ-02210
ACT Chemical BB: ACT09849
AK Scientific: W6955...53 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.58,-11,0,2,0, 155.584, 1
12650017
 
#76

ChemMol: 96705874, 2101267, 44020270
Molport: MolPort-002-499-372
A&J Pharmtech: AJ-00465
Ark Pharm Building Blocks: AK135073
Chembo Pharma: KB-12686...21 total

ref: mol2, SDF, SMILES, flexibase
1.20,2.49,-5.46,0,2,0, 127.168, 1
2531017
 
#77

ChemMol: 97804681
eMolecules: 816828
A&J Pharmtech: AJ-02306
AK Scientific: Y8919
AKOS: AKOS000308118...54 total

ref: mol2, SDF, SMILES, flexibase
0.21,2.79,-8.53,0,3,0, 124.143, 1

Similar to: 26515588, 43462086,
12647892
 
#78

ChemMol: 30114151, 44016315
Molport: MolPort-002-344-470
A&J Pharmtech: AJ-00078
AK Scientific: 1814AC
Anward: ANW-61372...20 total

ref: mol2, SDF, SMILES, flexibase
1.87,3.13,-9.95,0,4,0, 195.609, 0
66323223
 
#79

A&J Pharmtech: AJ-01062
Matrix Scientific: 055614
PubChem: 49761594
ref: mol2, SDF, SMILES, flexibase
4.63,8.67,-8.42,0,2,0, 343.208, 1
66054249
 
#80

ChemMol: 96707471
Molport: MolPort-015-157-185
A&J Pharmtech: AJ-01869
Adesis: 3-137
AK Scientific: 2474AD...17 total

ref: mol2, SDF, SMILES, flexibase
3.06,9.15,-16.56,0,5,0, 302.374, 4
66054237
 
#81

ChemMol: 96707468
Molport: MolPort-015-157-182
A&J Pharmtech: AJ-01856
Adesis: 3-133
AK Scientific: 2471AD...16 total

ref: mol2, SDF, SMILES, flexibase
2.41,7.66,-14.59,0,4,0, 243.31, 1
66054242
 
#82

ChemMol: 96707470
Molport: MolPort-015-157-184
A&J Pharmtech: AJ-01862
Adesis: 3-136
AK Scientific: 2473AD...16 total

ref: mol2, SDF, SMILES, flexibase
2.72,6.1,-17.03,1,4,0, 276.38, 4
66054219
 
#83

ChemMol: 96707466
Molport: MolPort-015-157-180
A&J Pharmtech: AJ-01844
Adesis: 3-131
AK Scientific: 2469AD...16 total

ref: mol2, SDF, SMILES, flexibase
2.98,7.33,-13.86,0,3,0, 236.29, 1
4352680
 
#84

ChemMol: 96706582
A&J Pharmtech: AJ-01061
Adesis: 3-110
AKOS: AKOS015854061
Aldrich CPR: ADE000837|ALDRICH...18 total

ref: mol2, SDF, SMILES, flexibase
2.67,1.34,-14.7,0,3,0, 218.3, 1
lo: mol2, SDF, SMILES, flexibase
2.67,1.17,-25.96,1,3,1, 219.308, 1

Similar to: 4352681,
39961386
 
#85

ChemMol: 96707358
A&J Pharmtech: AJ-01767
Adesis: 8-138
AK Scientific: 2666AD
Aldrich CPR: ADE001272|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
3.19,3.17,-10.82,0,4,0, 299.168, 1
66054322
 
#86

Molport: MolPort-015-157-321
A&J Pharmtech: AJ-01936
Adesis: 8-158
AK Scientific: 3345AD
Aldrich CPR: ADE001289|ALDRICH...13 total

ref: mol2, SDF, SMILES, flexibase
2.02,2.4,-14.41,0,6,0, 294.351, 4
66054269
 
#87

Molport: MolPort-015-157-319
A&J Pharmtech: AJ-01897
Adesis: 8-154
AK Scientific: 3048AD
Aldrich CPR: ADE001287|ALDRICH...13 total

ref: mol2, SDF, SMILES, flexibase
3.27,4.63,-16.28,1,7,0, 335.404, 4
6643283
 
#88

ChemMol: 96706679
A&J Pharmtech: AJ-01126
Adesis: 2-356
AK Scientific: 4901AC
AKOS: AKOS015850028...25 total

ref: mol2, SDF, SMILES, flexibase
3.56,0.07,-7.89,1,3,0, 338.576, 2
6643286
 
#89

ChemMol: 96706680
A&J Pharmtech: AJ-01127
Adesis: 2-357
AK Scientific: 2422AF
AKOS: AKOS015853591...20 total

ref: mol2, SDF, SMILES, flexibase
2.94,0.29,-9.81,1,4,0, 334.157, 3
4352685
 
#90

ChemMol: 96706753
A&J Pharmtech: AJ-01074
Adesis: 2-284
AK Scientific: 0185AF, 0184AF, 2748AC
AKOS: AKOS015851631...20 total

ref: mol2, SDF, SMILES, flexibase
1.78,0.5,-12.62,1,5,0, 252.314, 5

Similar to: 44231066,
161843
 
#91

ChemMol: 96706447, 83603352, 44013202
A&J Pharmtech: AJ-00925
Acros Organics: MO00187
Adesis: 2-103
AK Scientific: N380...42 total

ref: mol2, SDF, SMILES, flexibase
1.66,4.97,-12.84,1,4,0, 206.245, 3

Similar to: 34349066, 34349067, 41695891,
2547604
 
#92

ChemMol: 96706537
A&J Pharmtech: AJ-00990
Adesis: 2-182
AK Scientific: 5492AE
AKOS: AKOS015838944...22 total

ref: mol2, SDF, SMILES, flexibase
2.69,1.93,-11.38,1,3,0, 218.3, 4
2546083
 
#93

ChemMol: 96706531
A&J Pharmtech: AJ-00987
Adesis: 2-177
AK Scientific: N381
AKOS: AKOS015854000...35 total

ref: mol2, SDF, SMILES, flexibase
2.95,0.18,-9.15,1,3,0, 304.131, 2
2547606
 
#94

ChemMol: 96706538
A&J Pharmtech: AJ-00991
Adesis: 2-183
AK Scientific: 5493AE
AKOS: AKOS015838457...21 total

ref: mol2, SDF, SMILES, flexibase
3.49,1.29,-10.67,1,3,0, 266.41, 4

Similar to: 34476609,
8700485
 
#95

ChemMol: 96706682
A&J Pharmtech: AJ-01147
Adesis: 2-360
AK Scientific: 5242AE
Aldrich CPR: ADE000368|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
1.00,3.9,-27.72,2,4,0, 194.234, 2
lo: mol2, SDF, SMILES, flexibase
1.46,1.13,-32.85,3,4,1, 195.242, 2

Similar to: 39139484,
2526494
 
#96

ChemMol: 96706497
A&J Pharmtech: AJ-00947
Adesis: 2-126
AKOS: AKOS015841154
Aldrich CPR: ADE000242|ALDRICH...23 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.88,-14.86,3,5,0, 221.26, 3
2526496
 
#97

ChemMol: 96706499
A&J Pharmtech: AJ-00949
Adesis: 2-128
AKOS: AKOS015853654
Aldrich CPR: ADE000244|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
0.25,1.97,-15.67,4,6,0, 236.275, 3

Similar to: 5856552, 39119582,
2526495
 
#98

ChemMol: 96706498
A&J Pharmtech: AJ-00948
Adesis: 2-127
AKOS: AKOS015851570
Aldrich CPR: ADE000243|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.91,-11.69,1,5,0, 236.271, 4
1439370
 
#99

ChemMol: 96706539
A&J Pharmtech: AJ-00994
Adesis: 2-186
AK Scientific: 5494AE
AKOS: AKOS015856481...24 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.43,-13.7,2,4,0, 208.261, 3
lo: mol2, SDF, SMILES, flexibase
1.21,2.18,-27.58,3,4,1, 209.269, 3

Similar to: 34542479, 39126143,
6643282
 
#100

ChemMol: 51504898, 96706678
A&J Pharmtech: AJ-01026
Adesis: 2-355
AK Scientific: 2421AF
AKOS: AKOS015851886...22 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.42,-11.35,1,4,0, 208.261, 3
mid: mol2, SDF, SMILES, flexibase
1.93,4.18,-26.01,2,4,1, 209.269, 3

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 = 828 ) limit 0,100

Smiles were