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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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2565428
 
#1

eMolecules: 1335877
AKOS: AKOS000116737
Asinex Building Blocks: BAS01399175
Enamine: Z85881023
Enamine Building Blocks: EN300-03950...39 total

ref: mol2, SDF, SMILES, flexibase
-0.03,6.56,-55.27,1,5,-1, 258.253, 5

Similar to: 32110924, 32110926, 32134137, 32134139, ... 4 in total.
12343842
 
#2

eMolecules: 17694838
AKOS: AKOS000301323, AKOS002528224
Aldrich CPR: CDS016110|ALDRICH, R717177|ALDRICH
American Custom Chemicals Corp.: CHM0155903
Asinex: BAS01398923...34 total

ref: mol2, SDF, SMILES, flexibase
2.21,7.73,-48.87,0,5,-1, 275.309, 4

Similar to: 1194974,
238691
 
#3

eMolecules: 840488
AKOS: AKOS000269549
Asinex: BAS01376926
Asinex Building Blocks: BAS01376926
Chembo Pharma: KB-282568...27 total

ref: mol2, SDF, SMILES, flexibase
2.86,-1.59,-61.58,1,5,-1, 329.382, 4

Similar to: 31875514,
19735176
 
#4

Scientific Exchange Building Blocks: M-316766
ACB Blocks: BHZ-0046
AKOS: AKOS001476133
Alfa-Aesar: H55548
Alinda Building Blocks: ALBB-000372...67 total

ref: mol2, SDF, SMILES, flexibase
1.49,4.11,-39.46,2,2,1, 191.298, 2
hi: mol2, SDF, SMILES, flexibase
1.49,2.7,-2.71,1,2,0, 190.29, 2

Similar to: 19933489, 38575718, 39034079,
19735174
 
#5

Molport: MolPort-008-382-932
Scientific Exchange (make on demand): M-316764
AKOS: AKOS015844170
Alfa-Aesar: H55203
Alinda Building Blocks: ALBB-000371...68 total

ref: mol2, SDF, SMILES, flexibase
1.44,4.61,-38.47,2,2,1, 191.298, 2
hi: mol2, SDF, SMILES, flexibase
1.44,3.25,-2.36,1,2,0, 190.29, 2

Similar to: 19933485, 32108366, 34454605, 34603127, 39975204, ... 5 in total.
19370533
 
#6

ChemMol: 44026519, 42303170, 1036346
Scientific Exchange (make on demand): K-089370
Acros Organics: 39195
AK Scientific: 6013AB
AKOS: AKOS000198972...102 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.14,-39.8,2,2,1, 211.716, 2
hi: mol2, SDF, SMILES, flexibase
1.72,2.78,-2.43,1,2,0, 210.708, 2

Similar to: 19933501, 31284358, 32121418, 39318905, 39642273, ... 7 in total.
321590
 
#7

Molport: MolPort-001-963-188
AKOS: AKOS000300902
Aldrich CPR: CDS016818|ALDRICH
Asinex: BAS01375430
Asinex Building Blocks: BAS01375430...20 total

ref: mol2, SDF, SMILES, flexibase
0.40,4.45,-53.05,1,5,-1, 207.209, 4
lo: mol2, SDF, SMILES, flexibase
0.40,4.22,-52.51,2,5,0, 208.217, 4
19735265
 
#8

Asinex: BAS01375353
Asinex Building Blocks: BAS01375353
Matrix Scientific: 010138
Specs: AG-205/13460039
Vitas-M: STK397785...5 total

ref: mol2, SDF, SMILES, flexibase
6.17,10.8,-54.86,1,3,0, 311.425, 1

Similar to: 41656174, 41656281, 4465877,
240845
 
#9

ChemMol: 30116705, 44033900
eMolecules: 815154
Molport: MolPort-000-929-146
Scientific Exchange (make on demand): F-441809
AK Scientific: X9768...60 total

ref: mol2, SDF, SMILES, flexibase
2.68,0.97,-54.03,0,3,-1, 201.201, 2
hi: mol2, SDF, SMILES, flexibase
3.72,6.83,-7.87,0,4,0, 312.078, 4

Similar to: 34466348, 34568728, 38221018, 39311997, 44200251, ... 5 in total.
4817620
 
#10

Asinex: BAS01370743
Asinex Building Blocks: BAS01370743
Matrix Scientific: 011689
Matrix Scientific (Depleted): 032724
ref: mol2, SDF, SMILES, flexibase
1.59,5.24,-43.35,4,5,1, 293.387, 8
mid: mol2, SDF, SMILES, flexibase
1.59,5.4,-9.73,3,5,0, 292.379, 8

Similar to: 4817621, 4817622, 34601661, 34601662, 34601663, ... 11 in total.
2387737
 
#11

Asinex: BAS01370743
Asinex Building Blocks: BAS01370743
Matrix Scientific: 011689
Matrix Scientific (Depleted): 032724
ref: mol2, SDF, SMILES, flexibase
1.59,5.41,-43.09,4,5,1, 293.387, 8
mid: mol2, SDF, SMILES, flexibase
1.59,5.43,-9.47,3,5,0, 292.379, 8

Similar to: 4817620, 4817621, 4817622, 34601661, 34601662, ... 11 in total.
4817621
 
#12

Asinex: BAS01370743
Asinex Building Blocks: BAS01370743
Matrix Scientific: 011689
Matrix Scientific (Depleted): 032724
UORSY BB Make-on-demand: BBV-32500624...5 total

ref: mol2, SDF, SMILES, flexibase
1.59,5.24,-43.51,4,5,1, 293.387, 8
mid: mol2, SDF, SMILES, flexibase
1.59,5.38,-9.99,3,5,0, 292.379, 8

Similar to: 4817622, 34601661, 34601662, 34601663, 37044936, ... 11 in total.
4817622
 
#13

Asinex: BAS01370743
Asinex Building Blocks: BAS01370743
Matrix Scientific: 011689
Matrix Scientific (Depleted): 032724
UORSY BB Make-on-demand: BBV-32500624...5 total

ref: mol2, SDF, SMILES, flexibase
1.59,5.41,-42.92,4,5,1, 293.387, 8
mid: mol2, SDF, SMILES, flexibase
1.59,5.42,-11.03,3,5,0, 292.379, 8

Similar to: 34601661, 34601662, 34601663, 37044936, 37044937, ... 11 in total.
859743
 
#14

Asinex: BAS01370085
Asinex Building Blocks: BAS01370085
Innovapharm: STT-00130765
KeyOrganics: 7P-016
Life Chemicals: F1711-0386...13 total

ref: mol2, SDF, SMILES, flexibase
-0.16,4.55,-30.62,2,4,0, 239.296, 3

Similar to: 4291753, 4291754,
859745
 
#15

Asinex: BAS01370085
Asinex Building Blocks: BAS01370085
Innovapharm: STT-00130765
KeyOrganics: 7P-016
Life Chemicals: F1711-0386...13 total

ref: mol2, SDF, SMILES, flexibase
-0.16,4.71,-31.37,2,4,0, 239.296, 3

Similar to: 4291753, 4291754, 35005, 35006, 35007, ... 6 in total.
4291754
 
#16

Asinex: BAS01370085
Asinex Building Blocks: BAS01370085
Innovapharm: STT-00130765
KeyOrganics: 7P-016
Life Chemicals: F1711-0386...11 total

ref: mol2, SDF, SMILES, flexibase
-0.16,4.75,-31.8,2,4,0, 239.296, 3

Similar to: 52530377, 52530378, 52530380, 52530381, ... 11 in total.
4291753
 
#17

Asinex: BAS01370085
Asinex Building Blocks: BAS01370085
Innovapharm: STT-00130765
KeyOrganics: 7P-016
Life Chemicals: F1711-0386...11 total

ref: mol2, SDF, SMILES, flexibase
-0.16,4.37,-30.45,2,4,0, 239.296, 3

Similar to: 4291754, 52530377, 52530378, 52530380, 52530381, ... 7 in total.
240259
 
#18

Asinex: BAS01370064
Asinex Building Blocks: BAS01370064
Fluorochem: 025622
Matrix Scientific: 007839
TimTec Building Blocks: SBB007336...7 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.42,-50.19,2,4,1, 256.347, 4
hi: mol2, SDF, SMILES, flexibase
1.69,3.48,-8.69,1,4,0, 255.339, 4

Similar to: 33678769, 33678770, 35506124, 35506127, ... 4 in total.
240261
 
#19

Asinex: BAS01370064
Asinex Building Blocks: BAS01370064
Fluorochem: 025622
Matrix Scientific: 007839
TimTec Building Blocks: SBB007336...7 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.4,-49.97,2,4,1, 256.347, 4
hi: mol2, SDF, SMILES, flexibase
1.69,3.04,-9.06,1,4,0, 255.339, 4

Similar to: 33678769, 33678770, 35506124, 35506127, ... 4 in total.
4905924
 
#20

Molport: MolPort-001-019-841
Scientific Exchange (make on demand): Z-041437
AK Scientific: 3946AD
AKOS: AKOS000148133
Aldrich CPR: R692190|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
1.67,0.99,-67,0,5,-1, 268.248, 2

Similar to: 4905922,
4905922
 
#21

Molport: MolPort-001-019-841
Scientific Exchange (make on demand): Z-041437
AK Scientific: 3946AD
AKOS: AKOS000148133
Aldrich CPR: R692190|ALDRICH...23 total

ref: mol2, SDF, SMILES, flexibase
1.67,0.99,-67.02,0,5,-1, 268.248, 2

Similar to: 4905924,
17878149
 
#22

eMolecules: 757500
Molport: MolPort-001-019-368
Scientific Exchange (make on demand): Z-026651
AKOS: AKOS000265116
Aldrich CPR: CDS017056|ALDRICH...33 total

ref: mol2, SDF, SMILES, flexibase
1.67,6.43,-42.65,1,5,-1, 234.26, 4
hi: mol2, SDF, SMILES, flexibase
1.67,6.23,-104.59,0,5,-2, 233.252, 4

Similar to: 34977902, 34977906, 36524779,
301804
 
#23

eMolecules: 1333570
Molport: MolPort-001-018-734
Scientific Exchange (make on demand): Z-020799
AK Scientific: 3222AE
AKOS: AKOS000300978...35 total

ref: mol2, SDF, SMILES, flexibase
2.23,6.89,-43.34,1,4,-1, 250.318, 3

Similar to: 37791720, 37791721, 37791722, 37791723, 37796640, ... 8 in total.
301799
 
#24

eMolecules: 1333570
Molport: MolPort-001-018-734
Scientific Exchange (make on demand): Z-020799
AK Scientific: 3222AE
AKOS: AKOS000300978...35 total

ref: mol2, SDF, SMILES, flexibase
2.23,7.02,-63.22,1,4,-1, 250.318, 3

Similar to: 37791720, 37791721, 37791722, 37791723, 37796640, ... 8 in total.
301800
 
#25

eMolecules: 1333570
Molport: MolPort-001-018-734
Scientific Exchange (make on demand): Z-020799
AK Scientific: 3222AE
AKOS: AKOS000300978...35 total

ref: mol2, SDF, SMILES, flexibase
2.23,6.86,-55.15,1,4,-1, 250.318, 3

Similar to: 37791720, 37791721, 37791722, 37791723, 37796640, ... 8 in total.
301797
 
#26

eMolecules: 1333570
Molport: MolPort-001-018-734
Scientific Exchange (make on demand): Z-020799
AK Scientific: 3222AE
AKOS: AKOS000300978...35 total

ref: mol2, SDF, SMILES, flexibase
2.23,7.3,-44.35,1,4,-1, 250.318, 3

Similar to: 6691820, 6691822, 6691823, 37791720, 37791721, ... 11 in total.
104133
 
#27

eMolecules: 1333490
AKOS: AKOS000300935
Asinex: BAS01365876
Asinex Building Blocks: BAS01365876
ChemBridge: 6042168...27 total

ref: mol2, SDF, SMILES, flexibase
4.23,10.72,-59.05,0,3,-1, 324.425, 4
858886
 
#28

Molport: MolPort-001-962-839
Asinex: BAS01365875
Asinex Building Blocks: BAS01365875
Matrix Scientific: 011683
Oakwood Chemical: 056395...18 total

ref: mol2, SDF, SMILES, flexibase
3.85,9.94,-60.42,0,5,-1, 384.477, 6
19735674
 
#29

eMolecules: 725745
Acros Organics: CC36901
AK Scientific: Y7150
AKOS: AKOS000300869
Ark Pharm Building Blocks: AK-55992...37 total

ref: mol2, SDF, SMILES, flexibase
-1.24,3.41,-34,1,4,0, 208.242, 2
19735673
 
#30

eMolecules: 725745
Acros Organics: CC36901
AK Scientific: Y7150
AKOS: AKOS000300869
Ark Pharm Building Blocks: AK-55992...37 total

ref: mol2, SDF, SMILES, flexibase
-1.24,3.41,-34.03,1,4,0, 208.242, 2
19593540
 
#31

ChemMol: 83603207
eMolecules: 828554
Scientific Exchange (make on demand): M-919738
AKOS: AKOS003194676, AKOS000267892
Aldrich CPR: CDS003016|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
2.32,4.83,-47.79,1,4,-1, 229.137, 2
857570
 
#32

eMolecules: 1331621
Molport: MolPort-001-499-460
Scientific Exchange (make on demand): T-075454
AK Scientific: 0644AE
AKOS: AKOS000301721...27 total

ref: mol2, SDF, SMILES, flexibase
4.71,-1.57,-62.42,2,6,-1, 371.457, 5

Similar to: 6273132,
242024
 
#33

eMolecules: 933881
Molport: MolPort-016-635-081, MolPort-005-312-467
Scientific Exchange (make on demand): X-012004
AK Scientific: 8143AB
Aldrich CPR: CBR00089|ALDRICH...65 total

ref: mol2, SDF, SMILES, flexibase
1.89,5.51,-49.41,2,3,1, 220.321, 1
hi: mol2, SDF, SMILES, flexibase
1.89,4.21,-7.34,1,3,0, 219.313, 1

Similar to: 4929862, 12908827, 31784554, 34437883, 34460604, ... 6 in total.
65084
 
#34

ChemMol: 97803337
eMolecules: 5678827, 830581, 29253697
Molport: MolPort-021-782-914, MolPort-001-962-077, MolPort-000-837-948
Scientific Exchange (make on demand): C-014874, M-940668
AK Scientific: 8865AE...103 total

ref: mol2, SDF, SMILES, flexibase
-0.60,2.03,-53.24,4,3,1, 162.216, 1
65087
 
#35

ChemMol: 97803338
eMolecules: 5678827, 830581
Molport: MolPort-021-782-915, MolPort-001-962-077, MolPort-000-837-948
Scientific Exchange (make on demand): C-014874, M-940668
AK Scientific: 8865AE...98 total

ref: mol2, SDF, SMILES, flexibase
-0.60,1.74,-46.42,4,3,1, 162.216, 1
4905011
 
#36

eMolecules: 1330899
Molport: MolPort-001-492-539
AKOS: AKOS000301359
Alinda: IVK/8062849
Asinex: BAS01336740...25 total

ref: mol2, SDF, SMILES, flexibase
1.51,0.56,-49.2,1,6,-1, 298.34, 7

Similar to: 5954314, 5954318, 6123185,
4135986
 
#37

Asinex: BAS01320223
Asinex Building Blocks: BAS01320223
IBScreen: STOCK6S-51457
Innovapharm: STT-00215962
Matrix Scientific: 032721...11 total

ref: mol2, SDF, SMILES, flexibase
-0.64,-1.5,-54.26,3,5,1, 232.281, 3
mid: mol2, SDF, SMILES, flexibase
-0.64,-2.72,-14.17,2,5,0, 231.273, 3

Similar to: 4135987, 4135988, 4135989, 37980931, 37980932, ... 7 in total.
4135988
 
#38

Asinex: BAS01320223
Asinex Building Blocks: BAS01320223
IBScreen: STOCK6S-51457
Innovapharm: STT-00215962
Matrix Scientific: 032721...11 total

ref: mol2, SDF, SMILES, flexibase
-0.64,-1.99,-59.13,3,5,1, 232.281, 3
mid: mol2, SDF, SMILES, flexibase
-0.64,-3.23,-14.56,2,5,0, 231.273, 3

Similar to: 4135989, 37980931, 37980932, 37980933, 37980934, ... 7 in total.
4135987
 
#39

Asinex: BAS01320223
Asinex Building Blocks: BAS01320223
IBScreen: STOCK6S-51457
Innovapharm: STT-00215962
Matrix Scientific: 032721...11 total

ref: mol2, SDF, SMILES, flexibase
-0.64,-2.09,-57.2,3,5,1, 232.281, 3
mid: mol2, SDF, SMILES, flexibase
-0.64,-3.26,-15.27,2,5,0, 231.273, 3

Similar to: 4135988, 4135989, 37980931, 37980932, 37980933, ... 7 in total.
4135989
 
#40

Asinex: BAS01320223
Asinex Building Blocks: BAS01320223
IBScreen: STOCK6S-51457
Innovapharm: STT-00215962
Matrix Scientific: 032721...11 total

ref: mol2, SDF, SMILES, flexibase
-0.64,-1.69,-54.52,3,5,1, 232.281, 3
mid: mol2, SDF, SMILES, flexibase
-0.64,-2.85,-14.28,2,5,0, 231.273, 3

Similar to: 37980931, 37980932, 37980933, 37980934, ... 7 in total.
1605509
 
#41

eMolecules: 1124727
Scientific Exchange (make on demand): R-040271
AK Scientific: 6575AE
AKOS: AKOS000100815
Aldrich CPR: CDS012570|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
0.14,4.24,-52.13,0,5,-1, 204.161, 2

Similar to: 39762846, 39762847, 41906261, 42076694, 42101119, ... 6 in total.
85912
 
#42

eMolecules: 1330356
Scientific Exchange (make on demand): Q-031127
AK Scientific: 7483AE
AKOS: AKOS000301380
Aldrich CPR: CDS008345|ALDRICH...49 total

ref: mol2, SDF, SMILES, flexibase
0.87,4.5,-45.36,0,5,-1, 190.182, 3

Similar to: 57833103, 57833118, 57833121,
158848
 
#43

ChemMol: 30110564, 97801473, 83602979, 44014381
eMolecules: 720426
Molport: MolPort-000-004-960
Scientific Exchange (make on demand): F-406123
Acros Organics: CC17401...96 total

ref: mol2, SDF, SMILES, flexibase
1.80,2.91,-50.86,0,4,-1, 206.221, 2

Similar to: 35876240, 42442752, 44199137,
3878688
 
#44

eMolecules: 485900
Molport: MolPort-003-710-106, MolPort-000-997-539
Scientific Exchange (make on demand): Z-065231
AK Scientific: X6854
AKOS: AKOS000104253...75 total

ref: mol2, SDF, SMILES, flexibase
1.10,8.7,-46.74,0,4,-1, 252.249, 2

Similar to: 39268728, 40174717, 40175599,
122706
 
#45

eMolecules: 1329288
Molport: MolPort-000-901-102
AK Scientific: 0912AE
AKOS: AKOS000296892
Aldrich CPR: CDS001769|ALDRICH...29 total

ref: mol2, SDF, SMILES, flexibase
1.93,6.81,-53.28,0,4,-1, 235.288, 4
179691
 
#46

eMolecules: 1329268
Molport: MolPort-000-901-111
Scientific Exchange (make on demand): R-081137
AKOS: AKOS000100845
Alinda: IBS-L0037458...33 total

ref: mol2, SDF, SMILES, flexibase
1.39,5.86,-39.65,0,6,-1, 241.296, 4

Similar to: 41678677, 41978621, 41978623, 41978660, ... 4 in total.
155563
 
#47

ChemMol: 44021637
eMolecules: 829432
Scientific Exchange: POD_01/0199
AKOS: AKOS000266769
Aldrich CPR: S449865|ALDRICH...66 total

ref: mol2, SDF, SMILES, flexibase
1.39,5.01,-48.43,0,4,-1, 197.239, 3
206878
 
#48

eMolecules: 1328737, 2369462
Molport: MolPort-001-961-120
Aldrich CPR: T326429|ALDRICH
Asinex Building Blocks: BAS01312662
IBScreen: STOCK1S-04430...40 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.59,-40.94,2,3,1, 210.297, 3
206876
 
#49

eMolecules: 1328737, 2369462
Molport: MolPort-001-961-120
Aldrich CPR: T326429|ALDRICH
Asinex Building Blocks: BAS01312662
IBScreen: STOCK1S-04430...40 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.61,-40.7,2,3,1, 210.297, 3
519654
 
#50

eMolecules: 1328703
Asinex: BAS01312623
Asinex Building Blocks: BAS01312623
IBScreen NP: STOCK1N-15244
Matrix Scientific: 018459...23 total

ref: mol2, SDF, SMILES, flexibase
3.57,1,-48.64,0,3,-1, 275.368, 5

Similar to: 519655, 519656, 519653,
519653
 
#51

eMolecules: 1328703
Asinex: BAS01312623
Asinex Building Blocks: BAS01312623
IBScreen NP: STOCK1N-15244
Matrix Scientific: 018459...23 total

ref: mol2, SDF, SMILES, flexibase
3.57,1,-48.44,0,3,-1, 275.368, 5

Similar to: 519654, 519655, 519656,
519656
 
#52

eMolecules: 1328703
Asinex: BAS01312623
Asinex Building Blocks: BAS01312623
IBScreen NP: STOCK1N-15244
Matrix Scientific: 018459...23 total

ref: mol2, SDF, SMILES, flexibase
3.57,1.05,-48.29,0,3,-1, 275.368, 5

Similar to: 519653, 519654, 519655,
519655
 
#53

eMolecules: 1328703
Asinex: BAS01312623
Asinex Building Blocks: BAS01312623
IBScreen NP: STOCK1N-15244
Matrix Scientific: 018459...23 total

ref: mol2, SDF, SMILES, flexibase
3.57,1.05,-48.36,0,3,-1, 275.368, 5

Similar to: 519656, 519653, 519654,
244200
 
#54

eMolecules: 1328699
Aldrich CPR: TMT00650|ALDRICH
Asinex Building Blocks: BAS01312620
IBScreen NP: STOCK1N-15383
Matrix Scientific: 032720...25 total

ref: mol2, SDF, SMILES, flexibase
2.90,0.4,-43.14,0,3,-1, 261.341, 4
244199
 
#55

eMolecules: 1328699
Aldrich CPR: TMT00650|ALDRICH
Asinex Building Blocks: BAS01312620
IBScreen NP: STOCK1N-15383
Matrix Scientific: 032720...25 total

ref: mol2, SDF, SMILES, flexibase
2.90,0.5,-42.4,0,3,-1, 261.341, 4
4124643
 
#56

eMolecules: 817844
Molport: MolPort-000-854-107
ACB Blocks: MIX-1077
AK Scientific: 1893AE
AKOS: AKOS000270495...57 total

ref: mol2, SDF, SMILES, flexibase
0.68,4.79,-44.44,0,4,-1, 187.606, 2
4124651
 
#57

eMolecules: 816202
AKOS: AKOS000301474
Aldrich CPR: CDS006435|ALDRICH
Alinda Building Blocks: ALBB-004525
Asinex: BAS01307165...32 total

ref: mol2, SDF, SMILES, flexibase
2.10,1.31,-57.7,0,5,-1, 253.665, 3
244527
 
#58

eMolecules: 1328321
Molport: MolPort-000-993-959
Scientific Exchange (make on demand): C-031273
AKOS: AKOS000285736
Asinex: BAS01305865...30 total

ref: mol2, SDF, SMILES, flexibase
3.03,8.86,-50.65,0,3,-1, 248.689, 2
39798
 
#59

eMolecules: 440267
Molport: MolPort-001-838-433
AK Scientific: 5946AE
AKOS: AKOS000114577
Aldrich CPR: R537748|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
0.12,3.23,-43.35,1,4,-1, 212.612, 3
244690
 
#60

eMolecules: 1328311
Scientific Exchange (make on demand): T-090995
AKOS: AKOS000301546
Alinda: IVK/8074923
Asinex: BAS01299766...33 total

ref: mol2, SDF, SMILES, flexibase
1.30,-1.12,-56.16,1,6,-1, 250.23, 5
282894
 
#61

eMolecules: 1328309
Scientific Exchange (make on demand): X-097939
AK Scientific: 9918AD
AKOS: AKOS000296131
Aldrich CPR: CDS016377|ALDRICH...44 total

ref: mol2, SDF, SMILES, flexibase
0.79,2.63,-48.28,1,6,-1, 236.203, 4
1744297
 
#62

eMolecules: 1327887, 1859481
AKOS: AKOS000272949
Asinex: BAS01292574
Asinex Building Blocks: BAS01292574
Chembo Pharma: KB-97063...41 total

ref: mol2, SDF, SMILES, flexibase
1.31,6.09,-48.26,1,5,-1, 230.247, 5

Similar to: 6498187,
244777
 
#63

eMolecules: 838203
Molport: MolPort-000-871-632
AK Scientific: 0639AE
AKOS: AKOS000268760
Asinex: BAS01290469...28 total

ref: mol2, SDF, SMILES, flexibase
2.79,1.34,-50.68,0,6,-1, 306.367, 5
856218
 
#64

eMolecules: 1327034
Molport: MolPort-001-960-616
AK Scientific: 0636AE
AKOS: AKOS000301519
Asinex: BAS01289563...29 total

ref: mol2, SDF, SMILES, flexibase
2.89,10.17,-53.19,0,6,-1, 369.372, 6

Similar to: 16640700, 16640701,
856217
 
#65

eMolecules: 1327034
Molport: MolPort-001-960-616
AK Scientific: 0636AE
AKOS: AKOS000301519
Asinex: BAS01289563...29 total

ref: mol2, SDF, SMILES, flexibase
2.89,10.16,-53.17,0,6,-1, 369.372, 6

Similar to: 16640700, 16640701,
4856277
 
#66

eMolecules: 1327028
AK Scientific: 0635AE
AKOS: AKOS000301514
Asinex: BAS01289557
Asinex Building Blocks: BAS01289557...31 total

ref: mol2, SDF, SMILES, flexibase
2.78,9.42,-55.49,0,7,-1, 381.408, 7

Similar to: 11562810, 11562814, 11562817, 11562819, 25074413, ... 27 in total.
4856274
 
#67

eMolecules: 1327028
AK Scientific: 0635AE
AKOS: AKOS000301514
Asinex: BAS01289557
Asinex Building Blocks: BAS01289557...31 total

ref: mol2, SDF, SMILES, flexibase
2.78,9.42,-55.5,0,7,-1, 381.408, 7

Similar to: 4856277, 11562810, 11562814, 11562817, 11562819, ... 27 in total.
226803
 
#68

eMolecules: 1326082
Molport: MolPort-001-890-574
AK Scientific: 6788AE
Aldrich CPR: CDS016292|ALDRICH
Asinex: BAS01279124...37 total

ref: mol2, SDF, SMILES, flexibase
1.64,4.67,-51.58,1,5,-1, 241.226, 3
18240389
 
#69

eMolecules: 1325794
Molport: MolPort-001-960-192
Scientific Exchange (make on demand): F-124705
AK Scientific: 6706AD
AKOS: AKOS000301113...33 total

ref: mol2, SDF, SMILES, flexibase
0.35,3.04,-52.71,2,6,-1, 225.224, 6
lo: mol2, SDF, SMILES, flexibase
0.35,1.06,-18,3,6,0, 226.232, 6
lo: mol2, SDF, SMILES, flexibase
0.32,-0.42,-14.84,1,6,0, 224.216, 6

Similar to: 39132924, 39386877, 39386879, 39386882, 39386883, ... 8 in total.
12417080
 
#70

eMolecules: 25813729, 26282681
Molport: MolPort-001-960-040, MolPort-019-746-740
Scientific Exchange (make on demand): T-037691
AK Scientific: 9799AD
AKOS: AKOS000301110...39 total

ref: mol2, SDF, SMILES, flexibase
1.22,6.24,-41.67,0,6,-1, 293.324, 3

Similar to: 61960885, 61960886, 245895, 245887, 12417078, ... 5 in total.
12417078
 
#71

eMolecules: 25813729, 26282681
Molport: MolPort-001-960-040, MolPort-019-746-740
Scientific Exchange (make on demand): T-037691
AK Scientific: 9799AD
AKOS: AKOS000301110...39 total

ref: mol2, SDF, SMILES, flexibase
1.22,6.24,-42.27,0,6,-1, 293.324, 3

Similar to: 12417080, 61960885, 61960886,
17862902
 
#72

eMolecules: 25813715
Molport: MolPort-001-960-034
Scientific Exchange (make on demand): T-038175
American Custom Chemicals Corp.: CHM0088050
Asinex: BAS01268242...23 total

ref: mol2, SDF, SMILES, flexibase
1.99,7.62,-40.3,0,5,-1, 291.352, 2

Similar to: 3913655,
17836853
 
#73

eMolecules: 25813715
Molport: MolPort-001-960-034
Scientific Exchange (make on demand): T-038175
American Custom Chemicals Corp.: CHM0088050
Asinex: BAS01268242...23 total

ref: mol2, SDF, SMILES, flexibase
1.99,7.55,-39.99,0,5,-1, 291.352, 2

Similar to: 3913655,
18208614
 
#74

eMolecules: 26284069, 18622608
Molport: MolPort-001-960-033
Scientific Exchange (make on demand): T-038172
AK Scientific: 6351AE
American Custom Chemicals Corp.: HCH0042674...32 total

ref: mol2, SDF, SMILES, flexibase
1.33,7.02,-39.34,0,5,-1, 281.288, 2
18208377
 
#75

eMolecules: 26284069, 18622608
Molport: MolPort-001-960-033
Scientific Exchange (make on demand): T-038172
AK Scientific: 6351AE
American Custom Chemicals Corp.: HCH0042674...32 total

ref: mol2, SDF, SMILES, flexibase
1.33,7.02,-38.61,0,5,-1, 281.288, 2
63907
 
#76

Molport: MolPort-001-960-014
AK Scientific: 4793AE
Asinex: BAS01267713
Asinex Building Blocks: BAS01267713
Fluorochem: 026312...24 total

ref: mol2, SDF, SMILES, flexibase
1.31,3.38,-38.99,2,2,1, 156.23, 1
63904
 
#77

Molport: MolPort-001-960-014
AK Scientific: 4793AE
Asinex: BAS01267713
Asinex Building Blocks: BAS01267713
Fluorochem: 026312...24 total

ref: mol2, SDF, SMILES, flexibase
1.31,3.33,-39.7,2,2,1, 156.23, 1
245513
 
#78

Molport: MolPort-001-757-801
AK Scientific: 8578AE
Asinex: BAS01267711
Asinex Building Blocks: BAS01267711
Chembo Pharma: KB-222704...45 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.42,-39.92,2,2,1, 209.338, 2
245516
 
#79

Molport: MolPort-001-757-801
AK Scientific: 8578AE
Asinex: BAS01267711
Asinex Building Blocks: BAS01267711
Chembo Pharma: KB-222704...45 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-39.81,2,2,1, 209.338, 2
mid: mol2, SDF, SMILES, flexibase
2.16,4.32,-5.08,1,2,0, 208.33, 2
301237
 
#80

eMolecules: 1324706
Molport: MolPort-000-836-549
AKOS: AKOS000301098
Asinex: BAS01259467
Asinex Building Blocks: BAS01259467...45 total

ref: mol2, SDF, SMILES, flexibase
1.29,2.37,-49.25,1,6,-1, 284.313, 5

Similar to: 42818069, 42818073,
301239
 
#81

eMolecules: 1324706
Molport: MolPort-000-836-549
AKOS: AKOS000301098
Asinex: BAS01259467
Asinex Building Blocks: BAS01259467...46 total

ref: mol2, SDF, SMILES, flexibase
1.29,2.38,-49.4,1,6,-1, 284.313, 5

Similar to: 42818069, 42818073,
3681394
 
#82

ChemMol: 96700666
eMolecules: 525006
Scientific Exchange (make on demand): Z-019615
AKOS: AKOS000271820
Alfa-Aesar: H27824...69 total

ref: mol2, SDF, SMILES, flexibase
0.87,4.82,-47.71,1,4,-1, 222.245, 2

Similar to: 58250,
58250
 
#83

ChemMol: 96700666
eMolecules: 525006
Scientific Exchange (make on demand): Z-019615
AKOS: AKOS000271820
Alfa-Aesar: H27824...68 total

ref: mol2, SDF, SMILES, flexibase
0.87,4.81,-47.7,1,4,-1, 222.245, 2

Similar to: 3681394,
320194
 
#84

eMolecules: 836407
AK Scientific: 2469AE
AKOS: AKOS000271594
Aldrich CPR: CDS017154|ALDRICH
Asinex: BAS01257802...47 total

ref: mol2, SDF, SMILES, flexibase
3.54,8.09,-46.43,0,4,-1, 238.222, 2

Similar to: 21777080, 39287008,
19782504
 
#85

eMolecules: 1323746
Molport: MolPort-001-887-334
AKOS: AKOS000301204
Asinex: BAS01256770
Asinex Building Blocks: BAS01256770...26 total

ref: mol2, SDF, SMILES, flexibase
1.37,5.76,-78.24,1,4,-1, 244.27, 3

Similar to: 39975914,
4683323
 
#86

eMolecules: 1323676, 10590242
Molport: MolPort-000-876-411, MolPort-003-791-561
Scientific Exchange Building Blocks: POD_72/0530
AK Scientific: 2175AC
AKOS: AKOS000128508...67 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.83,-42.62,3,1,1, 212.316, 4

Similar to: 32006237, 32006240, 34364872, 34364873, 34364874, ... 7 in total.
199302
 
#87

eMolecules: 822820
Molport: MolPort-000-932-281
AKOS: AKOS000111461
Asinex: BAS01248529
Asinex Building Blocks: BAS01248529...30 total

ref: mol2, SDF, SMILES, flexibase
2.22,3,-42.65,0,5,-1, 249.271, 4

Similar to: 272820, 6252588, 6419307,
19735150
 
#88

eMolecules: 811668
Molport: MolPort-000-927-828
Scientific Exchange (make on demand): POD_69/0504
AKOS: AKOS000301262
Aldrich CPR: CDS005588|ALDRICH...49 total

ref: mol2, SDF, SMILES, flexibase
1.39,2.69,-55.99,1,4,-1, 202.189, 1
258189
 
#89

eMolecules: 1320462
Molport: MolPort-001-506-052
Scientific Exchange (make on demand): K-014919
AKOS: AKOS000301261
Asinex: BAS01236311...31 total

ref: mol2, SDF, SMILES, flexibase
2.49,6.45,-45.88,1,6,-1, 320.346, 6
3628200
 
#90

eMolecules: 1320458
Molport: MolPort-001-559-431
Scientific Exchange (make on demand): M-111680
AKOS: AKOS000121899
Asinex: BAS01236309...33 total

ref: mol2, SDF, SMILES, flexibase
2.39,-0.25,-49.05,1,6,-1, 306.319, 5

Similar to: 6288791,
255515
 
#91

eMolecules: 46469117, 838210
Molport: MolPort-000-886-249, MolPort-020-167-428
Scientific Exchange Building Blocks: F-396871
Aldrich CPR: CDS007187|ALDRICH
Alinda Building Blocks: ALBB-028047...51 total

ref: mol2, SDF, SMILES, flexibase
0.32,4.08,-52.72,2,3,1, 209.244, 1

Similar to: 6336077, 19720832, 31946059, 37981943, ... 5 in total.
19570520
 
#92

Molport: MolPort-001-504-731, MolPort-008-383-019
Scientific Exchange (make on demand): T-097494
Scientific Exchange Building Blocks: E-023442
ACB Blocks: BHZ-0023
AK Scientific: 5468AE...70 total

ref: mol2, SDF, SMILES, flexibase
1.05,3.21,-39.22,2,3,1, 207.297, 3
hi: mol2, SDF, SMILES, flexibase
1.05,1.8,-4.47,1,3,0, 206.289, 3

Similar to: 19933502, 32118263, 33825049, 36722228, 39318900, ... 7 in total.
19555423
 
#93

ChemMol: 44026522
Molport: MolPort-003-991-107
Scientific Exchange (make on demand): T-097237
Scientific Exchange Building Blocks: M-316772
AK Scientific: 7435AD...81 total

ref: mol2, SDF, SMILES, flexibase
1.09,2.92,-39.98,2,3,1, 207.297, 3
hi: mol2, SDF, SMILES, flexibase
1.09,1.56,-3.85,1,3,0, 206.289, 3

Similar to: 19933505, 32116074, 32118265, 32128420, 32128452, ... 8 in total.
19781718
 
#94

Molport: MolPort-002-173-172
Scientific Exchange (make on demand): E-023130
ACB Blocks: BHZ-0047
AKOS: AKOS003652073
Alinda Building Blocks: ALBB-012129...73 total

ref: mol2, SDF, SMILES, flexibase
0.67,2.73,-46.61,2,5,1, 267.349, 5

Similar to: 19852217, 34525619,
4638696
 
#95

Molport: MolPort-001-958-442
AK Scientific: 0910AE
Asinex: BAS01232818
Asinex Building Blocks: BAS01232818
Matrix Scientific: 011640...16 total

ref: mol2, SDF, SMILES, flexibase
-0.69,-2.01,-47.52,4,5,1, 211.241, 2
lo: mol2, SDF, SMILES, flexibase
-0.69,-1.72,-88.35,5,5,2, 212.249, 2
18207615
 
#96

eMolecules: 4666895, 1319665
Molport: MolPort-001-002-455
AKOS: AKOS000283099, AKOS000296932
Asinex: BAS01228908
Asinex Building Blocks: BAS01228908...47 total

ref: mol2, SDF, SMILES, flexibase
2.07,5.7,-42.88,1,5,-1, 249.271, 3

Similar to: 8497190, 8534823,
18157310
 
#97

eMolecules: 4666895, 1319665
Molport: MolPort-001-002-455
AKOS: AKOS000283099, AKOS000296932
Asinex: BAS01228908
Asinex Building Blocks: BAS01228908...47 total

ref: mol2, SDF, SMILES, flexibase
2.07,5.71,-43.44,1,5,-1, 249.271, 3

Similar to: 8497190, 8534823,
53107
 
#98

eMolecules: 1319229
Molport: MolPort-001-794-850
Scientific Exchange (make on demand): R-099723
AK Scientific: 5709AB
Aldrich CPR: CBR00336|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
0.88,3.77,-51.29,0,5,-1, 176.155, 2
196891
 
#99

eMolecules: 1319015
Molport: MolPort-001-958-187
AKOS: AKOS000301299
Asinex: BAS01217092
Asinex Building Blocks: BAS01217092...28 total

ref: mol2, SDF, SMILES, flexibase
3.32,7.4,-33.18,2,3,1, 262.373, 3
327857
 
#100

eMolecules: 526743
Scientific Exchange (make on demand): X-062522
AK Scientific: 4179AB
AKOS: AKOS000267335
Alinda: IVK/6218990...59 total

ref: mol2, SDF, SMILES, flexibase
3.75,-0.11,-50.63,0,2,-1, 225.676, 1

Similar to: 39299328, 39299329, 40175349, 58234957, ... 4 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 = 306 ) limit 0,100

Smiles were