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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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318058
 
#1

eMolecules: 836490
AK Scientific: W3336
AKOS: AKOS000116222
Aldrich CPR: CDS006929|ALDRICH
Alfa-Aesar: A16562...59 total

ref: mol2, SDF, SMILES, flexibase
0.47,1.37,-16.31,4,4,0, 175.191, 1

Similar to: 39119563,
4674334
 
#2

eMolecules: 704426, 816678
Scientific Exchange (make on demand): K-041975
ACB Blocks: PAR-0004
AK Scientific: V5404
AKOS: AKOS000112318...59 total

ref: mol2, SDF, SMILES, flexibase
2.39,4.72,-7.56,1,3,0, 206.632, 2
18161766
 
#3

eMolecules: 836744
Scientific Exchange: K-041976
ACB Blocks: PAR-0193
AK Scientific: 1209AE
AKOS: AKOS000112378...39 total

ref: mol2, SDF, SMILES, flexibase
2.52,4.82,-7.57,1,3,0, 251.083, 2
ref: mol2, SDF, SMILES, flexibase
2.52,4.77,-7.5,1,3,0, 251.083, 2

Similar to: 31885610, 31886317,
18254894
 
#4

ChemMol: 83602601, 42301642
eMolecules: 722750
Scientific Exchange (make on demand): K-021038
ACB Blocks: PAR-0008
Acros Organics: SEW05757...80 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.45,-8.5,1,4,0, 202.213, 3
ref: mol2, SDF, SMILES, flexibase
1.77,3.51,-8.75,1,4,0, 202.213, 3

Similar to: 26513538, 31886337, 34956902, 34963109, 44198804, ... 5 in total.
1793726
 
#5

ChemMol: 80100984
eMolecules: 836748
Scientific Exchange (make on demand): K-041977
AK Scientific: 5941AE
AKOS: AKOS000201936...53 total

ref: mol2, SDF, SMILES, flexibase
2.25,2.06,-8.6,0,3,0, 194.23, 5

Similar to: 4227183, 34546217, 34974199,
4716367
 
#6

eMolecules: 704428, 816668
Scientific Exchange (make on demand): K-021015
ACB Blocks: PAR-0007
AKOS: AKOS000112498
Aldrich CPR: CDS000806|ALDRICH...54 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.88,-8.02,1,3,0, 186.214, 2

Similar to: 8701126, 34386471, 34956919,
17878161
 
#7

eMolecules: 836754
Scientific Exchange (make on demand): K-041978
AK Scientific: 1210AE
AKOS: AKOS000112294
Aldrich CPR: CDS006643|ALDRICH...41 total

ref: mol2, SDF, SMILES, flexibase
1.36,3.42,-11.32,1,5,0, 232.239, 4
96536
 
#8

eMolecules: 836758
Scientific Exchange Building Blocks: K-041979
AK Scientific: 8469AD
AKOS: AKOS000201980
Alinda: IVK/8186544...56 total

ref: mol2, SDF, SMILES, flexibase
2.11,2.26,-8.75,0,3,0, 194.23, 4

Similar to: 4227193, 4227194, 4227195, 4227199, 4227221, ... 8 in total.
2573374
 
#9

ChemMol: 80100982
eMolecules: 631529
Scientific Exchange (make on demand): K-041980
AK Scientific: 4647AE
AKOS: AKOS000201791...48 total

ref: mol2, SDF, SMILES, flexibase
2.81,2.18,-8.5,0,3,0, 208.257, 6

Similar to: 4227254, 4227257, 4227266, 34546217, 36765375, ... 6 in total.
78254
 
#10

ChemMol: 97806571, 30109802
eMolecules: 626509
Scientific Exchange (make on demand): R-035326
AK Scientific: X2706
AKOS: AKOS000273765...66 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.65,-7.79,1,3,0, 245.072, 3

Similar to: 34418110, 34580653,
1792315
 
#11

eMolecules: 836764
Scientific Exchange (make on demand): K-020970
AK Scientific: 3641AF
AKOS: AKOS000201836
Aldrich CPR: PH010586|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
3.19,2.19,-9.9,0,3,0, 222.284, 7

Similar to: 3887679, 4227257, 32145044, 36765375, 38252035, ... 7 in total.
1695179
 
#12

eMolecules: 836768
Scientific Exchange (make on demand): K-020985
AKOS: AKOS000172341
Alinda Building Blocks: ALBB-001161
Ark Pharm Building Blocks: AK-45922...45 total

ref: mol2, SDF, SMILES, flexibase
2.91,2.06,-6.69,0,2,0, 178.231, 4

Similar to: 31893292, 39235409, 39235410,
78257
 
#13

eMolecules: 522011
Scientific Exchange (make on demand): R-035310
AKOS: AKOS000179925
Alinda: IVK/9046704
Alinda Building Blocks: ALBB-001157...59 total

ref: mol2, SDF, SMILES, flexibase
2.13,1.99,-10.28,0,3,0, 194.23, 5

Similar to: 39372261,
59446
 
#14

ChemMol: 44019709
eMolecules: 441191
ACB Blocks: MIX-0782
AK Scientific: 7295AD
AKOS: AKOS000121678...59 total

ref: mol2, SDF, SMILES, flexibase
3.05,8.89,-9.4,0,3,0, 248.285, 3

Similar to: 732131, 732136, 732137, 732139, 732153, ... 13 in total.
35840
 
#15

eMolecules: 631493
AK Scientific: 7668AE
AKOS: AKOS000121685
Alinda Building Blocks: ALBB-001140
Chembo Pharma: KB-192894...42 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.39,-8.46,0,3,0, 208.257, 5

Similar to: 36765375, 38266607,
2576199
 
#16

Scientific Exchange (make on demand): K-041984
AK Scientific: 7958AE
AKOS: AKOS000173383
Aldrich CPR: CDS007421|ALDRICH
Alfa-Aesar: H33115...44 total

ref: mol2, SDF, SMILES, flexibase
2.64,1.71,-8.99,0,2,0, 164.204, 4

Similar to: 32145044, 34519918, 34958921, 39298578, 39323027, ... 5 in total.
442816
 
#17

eMolecules: 836776
Molport: MolPort-000-886-099
Scientific Exchange Building Blocks: K-020962
AKOS: AKOS000170107
Alinda: IVK/0049059...39 total

ref: mol2, SDF, SMILES, flexibase
2.49,2.27,-10.11,0,3,0, 208.257, 5

Similar to: 4227193, 4227195, 4227199, 4227221, 4227224, ... 10 in total.
162811
 
#18

ChemMol: 44001217, 97806547, 1037523
eMolecules: 717107
Scientific Exchange (make on demand): K-020973
AK Scientific: Q026
AKOS: AKOS000190485...70 total

ref: mol2, SDF, SMILES, flexibase
2.52,1.94,-7.55,0,2,0, 164.204, 3

Similar to: 6092823, 32108262, 38292927,
54240
 
#19

eMolecules: 626422
Scientific Exchange (make on demand): X-029547
AK Scientific: 6397AA
AKOS: AKOS000202106
Aldrich CPR: R397091|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
0.52,1.65,-14.9,2,4,0, 179.175, 4
2576200
 
#20

eMolecules: 836780
AK Scientific: 7959AE
AKOS: AKOS000186621
Aldrich CPR: CDS007143|ALDRICH
Alinda: IVK/9678007...42 total

ref: mol2, SDF, SMILES, flexibase
2.88,2.05,-8.83,0,2,0, 178.231, 4
2387675
 
#21

eMolecules: 836782
Scientific Exchange (make on demand): K-020955
AK Scientific: 1159AE
AKOS: AKOS000117640
Aldrich CPR: CDS011697|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
2.63,2.07,-9.94,0,3,0, 208.257, 6

Similar to: 2570485, 5793749, 34546217, 34974199, 38266607, ... 5 in total.
2387683
 
#22

Molport: MolPort-001-509-355
AKOS: AKOS001127824
Alinda: IVK/9079880
ChemBridge BuildingBlocks: 4303051
Enamine Building Blocks: EN300-13974...23 total

ref: mol2, SDF, SMILES, flexibase
2.48,1.25,-5.76,0,1,0, 154.234, 2

Similar to: 159451,
2387647
 
#23

eMolecules: 3802595
Molport: MolPort-002-794-693
AK Scientific: 4956AE
AKOS: AKOS000189587
Alinda: IVK/0049060...37 total

ref: mol2, SDF, SMILES, flexibase
2.25,1.72,-9.12,0,2,0, 164.204, 3

Similar to: 34345308, 34875404, 36519427, 36883133, ... 4 in total.
2750639
 
#24

eMolecules: 3802597
Molport: MolPort-001-508-572
AK Scientific: 9496AC
AKOS: AKOS000197112
Aldrich CPR: CBR00428|ALDRICH...31 total

ref: mol2, SDF, SMILES, flexibase
2.61,1.96,-9.39,0,2,0, 178.231, 3

Similar to: 36883133,
126157
 
#25

eMolecules: 48770329, 704925
Molport: MolPort-002-344-535
Scientific Exchange (make on demand): X-090581
ACB Blocks: ATI-0003
AK Scientific: V7739...105 total

ref: mol2, SDF, SMILES, flexibase
2.31,4.61,-6.4,2,2,0, 194.234, 1
mid: mol2, SDF, SMILES, flexibase
2.31,4.67,-33.3,1,2,-1, 193.226, 1
18228565
 
#26

eMolecules: 5807628, 836796
Molport: MolPort-002-897-819
Scientific Exchange (make on demand): K-042004
AK Scientific: V4335
AKOS: AKOS000115994...70 total

ref: mol2, SDF, SMILES, flexibase
2.78,5.47,-7.28,2,2,0, 210.689, 1
mid: mol2, SDF, SMILES, flexibase
2.78,5.22,-27.54,3,2,1, 211.697, 1

Similar to: 12931657,
128387
 
#27

eMolecules: 704410
ACB Blocks: ATI-0020
AK Scientific: Z6808
AKOS: AKOS000116078
Alinda: IVK/9674415...69 total

ref: mol2, SDF, SMILES, flexibase
2.93,5.16,-5.59,2,2,0, 255.14, 1
mid: mol2, SDF, SMILES, flexibase
2.93,5.52,-30.42,3,2,1, 256.148, 1

Similar to: 1520196,
87972
 
#28

eMolecules: 704412
Molport: MolPort-005-507-698
ACB Blocks: ATI-0015
AK Scientific: V9260
AKOS: AKOS000116027...69 total

ref: mol2, SDF, SMILES, flexibase
3.43,-1.42,-6.39,2,2,0, 245.134, 1
lo: mol2, SDF, SMILES, flexibase
3.43,-1.36,-27.64,3,2,1, 246.142, 1

Similar to: 12931657,
38083
 
#29

eMolecules: 518276
Molport: MolPort-000-006-353, MolPort-002-364-645
Scientific Exchange (make on demand): POD_71/0513, X-016565, Z-043436
ACB Blocks: ATI-0008
AKOS: AKOS000104242...126 total

ref: mol2, SDF, SMILES, flexibase
2.60,5.22,-6.75,2,2,0, 190.271, 1
hi: mol2, SDF, SMILES, flexibase
2.60,5.28,-37.29,1,2,-1, 189.263, 1
lo: mol2, SDF, SMILES, flexibase
2.60,5.57,-28.4,3,2,1, 191.279, 1

Similar to: 41656647, 41656829, 24007,
35820
 
#30

eMolecules: 631453, 1067335
Molport: MolPort-001-819-981
ACB Blocks: ATI-0018
AK Scientific: 8309AD
AKOS: AKOS000122307...76 total

ref: mol2, SDF, SMILES, flexibase
2.97,-0.47,-6.14,2,2,0, 204.298, 1
lo: mol2, SDF, SMILES, flexibase
2.97,-0.58,-28,3,2,1, 205.306, 1

Similar to: 1509225,
3877612
 
#31

ChemMol: 96707922
eMolecules: 836798
Scientific Exchange (make on demand): POD_45/0219, POD_60/0020
AK Scientific: 4017AE, 6646AD
AKOS: AKOS000122783...61 total

ref: mol2, SDF, SMILES, flexibase
3.62,6.26,-4.61,2,2,0, 234.368, 1
mid: mol2, SDF, SMILES, flexibase
3.62,6.49,-27.22,3,2,1, 235.376, 1

Similar to: 39284761,
2576717
 
#32

eMolecules: 836800
Molport: MolPort-000-886-104
AK Scientific: 2112AE
AKOS: AKOS000199408
Aldrich CPR: CDS004161|ALDRICH...34 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.43,-6.79,2,2,0, 196.3, 1

Similar to: 34355918, 39331976,
107756
 
#33

ChemMol: 97801859, 1031182, 44024035
eMolecules: 836804
Scientific Exchange (make on demand): K-042009
Acorn PharmaTech: ACN-S003731
AKOS: AKOS000267320...77 total

ref: mol2, SDF, SMILES, flexibase
0.77,2.07,-8.12,2,4,0, 172.209, 2
lo: mol2, SDF, SMILES, flexibase
0.77,2.34,-33.39,3,4,1, 173.217, 2

Similar to: 26479904, 39284523,
4036705
 
#34

ChemMol: 30116726
eMolecules: 831480
Molport: MolPort-001-029-706
Scientific Exchange: X-052596
Scientific Exchange (make on demand): Z-043282...148 total

ref: mol2, SDF, SMILES, flexibase
1.71,3.34,-7.22,2,2,0, 154.238, 0
mid: mol2, SDF, SMILES, flexibase
1.71,3.73,-28.1,3,2,1, 155.246, 0

Similar to: 35874553,
16951622
 
#35

ChemMol: 44015180, 44015129
eMolecules: 836806
Scientific Exchange (make on demand): K-020994
AK Scientific: W8251
AKOS: AKOS000122272...75 total

ref: mol2, SDF, SMILES, flexibase
2.19,3.95,-6.92,2,2,0, 168.265, 0
mid: mol2, SDF, SMILES, flexibase
2.19,4.34,-28.38,3,2,1, 169.273, 0

Similar to: 17159881, 22173468, 22173470, 32135907, 32135908, ... 25 in total.
17159881
 
#36

ChemMol: 44015180, 44015129
eMolecules: 836806
Scientific Exchange (make on demand): K-020994
AK Scientific: W8251
AKOS: AKOS000122272...76 total

ref: mol2, SDF, SMILES, flexibase
2.19,3.95,-6.9,2,2,0, 168.265, 0
mid: mol2, SDF, SMILES, flexibase
2.19,4.34,-28.41,3,2,1, 169.273, 0

Similar to: 22173468, 22173470, 32135907, 32135908, 34332198, ... 11 in total.
35866
 
#37

eMolecules: 836808
AK Scientific: 7386AD
AKOS: AKOS000300877
Aldrich CPR: CDS002695|ALDRICH
Alinda: IVK/8138281...53 total

ref: mol2, SDF, SMILES, flexibase
0.37,1.3,-10.73,2,4,0, 185.252, 1
lo: mol2, SDF, SMILES, flexibase
0.37,1.56,-34.15,3,4,1, 186.26, 1

Similar to: 25489361, 31570903,
54241
 
#38

eMolecules: 626370
Scientific Exchange (make on demand): X-046988
AKOS: AKOS000202383
Aldrich CPR: R396702|ALDRICH
Alinda: IVK/9050203...57 total

ref: mol2, SDF, SMILES, flexibase
0.11,1.4,-17.75,2,5,0, 209.201, 5

Similar to: 6605178, 6605738, 6605743,
35778
 
#39

eMolecules: 836810
AKOS: AKOS000304068
Aldrich CPR: TMT00118|ALDRICH
Alinda: IVK/0008068
Alinda Building Blocks: ALBB-001069...28 total

ref: mol2, SDF, SMILES, flexibase
4.04,1.84,-7.33,0,3,0, 276.719, 5

Similar to: 6406402,
2573199
 
#40

eMolecules: 836812
AKOS: AKOS000304069
BioBlocks: A4069/0173388
BioBlocks BB: ZERO/004782
ChemDiv BuildingBlocks: BB54-0994...27 total

ref: mol2, SDF, SMILES, flexibase
4.65,1.75,-7.29,0,3,0, 311.164, 5

Similar to: 35791,
35791
 
#41

eMolecules: 631415
AKOS: AKOS000304074
Aldrich CPR: R432393|ALDRICH
Fluorochem: 014207
Mcule: MCULE-1464871696...19 total

ref: mol2, SDF, SMILES, flexibase
5.25,1.75,-9.83,0,3,0, 345.609, 5

Similar to: 2573199,
35794
 
#42

eMolecules: 836814
AKOS: AKOS000304075
Alinda Building Blocks: ALBB-001071
BioBlocks: A4061/0173054
BioBlocks BB: ZERO/004765...26 total

ref: mol2, SDF, SMILES, flexibase
4.13,1.31,-7.86,0,3,0, 321.17, 5
372214
 
#43

eMolecules: 836816
AKOS: AKOS000304080
Aldrich CPR: TMT00501|ALDRICH
Alinda Building Blocks: ALBB-020650
ChemDiv BuildingBlocks: BB01-3783...26 total

ref: mol2, SDF, SMILES, flexibase
5.38,3.08,-10.04,0,3,0, 332.827, 6

Similar to: 22136305,
2105555
 
#44

eMolecules: 631354
Scientific Exchange (make on demand): M-147581
AKOS: AKOS000304081
Aldrich CPR: R431974|ALDRICH, R432172|ALDRICH
Alinda: IBS-L0213222...32 total

ref: mol2, SDF, SMILES, flexibase
5.65,-0.04,-9.61,0,3,0, 478.962, 5
1002863
 
#45

eMolecules: 836818
Molport: MolPort-000-886-105
AKOS: AKOS000304087
Chembo Pharma: KB-98193
Mcule: MCULE-5470284717...20 total

ref: mol2, SDF, SMILES, flexibase
3.40,2.01,-8.97,0,4,0, 272.3, 6

Similar to: 6406372, 6407549, 6407633,
4237599
 
#46

eMolecules: 705194
Scientific Exchange (make on demand): M-147675
ACB Blocks: MIX-0266
AKOS: AKOS000304088
Aldrich CPR: TMT00307|ALDRICH...36 total

ref: mol2, SDF, SMILES, flexibase
4.17,1.23,-7.27,0,3,0, 321.17, 5

Similar to: 6406443, 6425015,
380802
 
#47

eMolecules: 707273
ACB Blocks: MIX-0624
AK Scientific: W4825
AKOS: AKOS000164345
Aldrich CPR: CDS010491|ALDRICH...60 total

ref: mol2, SDF, SMILES, flexibase
0.33,2.59,-8.77,0,3,0, 124.143, 1

Similar to: 4283588,
2027916
 
#48

eMolecules: 631372
AKOS: AKOS000304093
Aldrich CPR: R432113|ALDRICH
Mcule: MCULE-1545558709
Molport BB: MolPort-000-156-860...18 total

ref: mol2, SDF, SMILES, flexibase
6.47,1.52,-8.44,0,3,0, 414.499, 5

Similar to: 35760,
35788
 
#49

eMolecules: 836820
AKOS: AKOS000304021
Alinda: IVK/0008062
Alinda Building Blocks: ALBB-001076
Chembo Pharma: KB-98204...27 total

ref: mol2, SDF, SMILES, flexibase
3.76,2.4,-7.55,0,3,0, 256.301, 5

Similar to: 349894, 5794180, 6359372, 6406413, 6406426, ... 7 in total.
35786
 
#50

eMolecules: 836822
AKOS: AKOS000304022
Alinda: IVK/0008067
Alinda Building Blocks: ALBB-001077
ChemDiv BuildingBlocks: BB55-0731...24 total

ref: mol2, SDF, SMILES, flexibase
4.02,1.85,-10.5,0,3,0, 276.719, 5

Similar to: 3962295, 6406374, 6406377,
349894
 
#51

eMolecules: 836824
AK Scientific: 3633AE
AKOS: AKOS000304054
Alinda: IVK/0008079
Alinda Building Blocks: ALBB-001079...31 total

ref: mol2, SDF, SMILES, flexibase
4.17,2.86,-11.46,0,3,0, 270.328, 5

Similar to: 5794180, 6359372, 6406413, 6406426, 6425018, ... 7 in total.
35795
 
#52

eMolecules: 836826
ACB Blocks: MIX-1017
AKOS: AKOS000300230
Alinda: IBS-C0009258
Alinda Building Blocks: ALBB-001080...37 total

ref: mol2, SDF, SMILES, flexibase
3.53,2.73,-7.91,0,3,0, 260.264, 5

Similar to: 6406408,
349893
 
#53

eMolecules: 836828
Scientific Exchange (make on demand): M-147694
AKOS: AKOS000304058
Aldrich CPR: TMT00308|ALDRICH
Alinda: IBS-L0213225...29 total

ref: mol2, SDF, SMILES, flexibase
4.17,2.63,-7.7,0,3,0, 270.328, 5

Similar to: 6406510, 6426366, 6439027, 34979085, ... 4 in total.
2573201
 
#54

eMolecules: 836830
AKOS: AKOS000304059
Alinda: IBS-C0009184
Alinda Building Blocks: ALBB-001083
Chembo Pharma: KB-193060...24 total

ref: mol2, SDF, SMILES, flexibase
3.32,1.16,-11.8,0,4,0, 293.322, 5

Similar to: 7441458, 22200766, 33694710, 44263134, ... 4 in total.
2573207
 
#55

eMolecules: 631350
AKOS: AKOS000304064
Aldrich CPR: R431958|ALDRICH
Alinda: IVK/0008052
Alinda Building Blocks: ALBB-001086...23 total

ref: mol2, SDF, SMILES, flexibase
3.89,5.75,-9.48,0,3,0, 332.224, 5

Similar to: 6406408,
484160
 
#56

eMolecules: 836840
AK Scientific: 4734AF
AKOS: AKOS000304076
Alinda: IVK/0008061
Alinda Building Blocks: ALBB-001091...29 total

ref: mol2, SDF, SMILES, flexibase
1.75,5.24,-10.76,0,4,0, 208.213, 5

Similar to: 5280072, 5280692, 5281019, 5281537, 5281802, ... 10 in total.
241385
 
#57

ChemMol: 96705482, 44012948, 83602921
eMolecules: 724662
Acros Organics: CC03504
AK Scientific: Y7684
AKOS: AKOS000118350...76 total

ref: mol2, SDF, SMILES, flexibase
1.76,2.65,-8.14,0,3,0, 158.16, 1

Similar to: 34380754,
335394
 
#58

eMolecules: 836842
AKOS: AKOS000304082
Alinda: IVK/0008073
Alinda Building Blocks: ALBB-001093
Chembo Pharma: KB-233115...28 total

ref: mol2, SDF, SMILES, flexibase
4.28,2.47,-7.27,0,3,0, 270.328, 6

Similar to: 5794180, 6273003, 6281691, 6359372, 6406413, ... 12 in total.
37141
 
#59

eMolecules: 836844
AKOS: AKOS000304089
Alinda: IVK/0008081
Alinda Building Blocks: ALBB-001095
BioBlocks: A4061/0173051...30 total

ref: mol2, SDF, SMILES, flexibase
4.79,2.47,-10.69,0,3,0, 304.773, 5

Similar to: 335395, 6406402,
862693
 
#60

eMolecules: 705200
ACB Blocks: MIX-0271
AK Scientific: Y5512
AKOS: AKOS000300461
Aldrich CPR: CDS007230|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
0.70,3.52,-11.37,0,3,0, 138.17, 2

Similar to: 6125750,
2531015
 
#61

ChemMol: 97804679, 83602745, 44031637
eMolecules: 704883
Scientific Exchange (make on demand): H-040397
A&J Pharmtech: AJ-02318, AJ-02315
ACB Blocks: MIX-0151...68 total

ref: mol2, SDF, SMILES, flexibase
0.33,2.48,-11.37,0,3,0, 124.143, 1
874351
 
#62

ChemMol: 83602755, 96705579
eMolecules: 707275
ACB Blocks: MIX-0625
AK Scientific: Y5661
AKOS: AKOS000265785...51 total

ref: mol2, SDF, SMILES, flexibase
0.70,3.35,-11.1,0,3,0, 138.17, 2

Similar to: 6125641, 34925189,
4268139
 
#63

eMolecules: 836846
AKOS: AKOS000304094
Alinda: IVK/0008065
Alinda Building Blocks: ALBB-001096
Chembo Pharma: KB-193078...29 total

ref: mol2, SDF, SMILES, flexibase
3.36,1.99,-7.51,0,3,0, 242.274, 5

Similar to: 5794180, 6359372, 6406413, 6406419, 6406426, ... 10 in total.
335397
 
#64

eMolecules: 836848
AKOS: AKOS000304023
Alinda Building Blocks: ALBB-001097
Chembo Pharma: KB-193081
ChemDiv BuildingBlocks: BB12-2837...24 total

ref: mol2, SDF, SMILES, flexibase
4.19,1.9,-8.69,0,2,0, 272.369, 5

Similar to: 34980604,
109495
 
#65

ChemMol: 83602787, 44027915, 30112115
eMolecules: 527539
Scientific Exchange (make on demand): Z-028712
A&J Pharmtech: AJ-02311
ACB Blocks: MIX-0270...91 total

ref: mol2, SDF, SMILES, flexibase
0.11,2.03,-11.86,0,3,0, 110.116, 1

Similar to: 34324446,
372221
 
#66

eMolecules: 836850
Molport: MolPort-000-886-106
AKOS: AKOS000304055
Alinda Building Blocks: ALBB-001100
Chembo Pharma: KB-223377...26 total

ref: mol2, SDF, SMILES, flexibase
2.68,-0.05,-13.39,2,5,0, 285.299, 6

Similar to: 5383492,
4255822
 
#67

ChemMol: 83602747, 44031549
eMolecules: 816634
Scientific Exchange Building Blocks: F-405935
ACB Blocks: MIX-1062
AK Scientific: W5294...66 total

ref: mol2, SDF, SMILES, flexibase
0.48,2.9,-8.29,0,3,0, 124.143, 2

Similar to: 34925188,
373374
 
#68

eMolecules: 836854
AKOS: AKOS000304065
Alinda: IVK/0008100
Alinda Building Blocks: ALBB-001106
ChemDiv BuildingBlocks: BB55-0752...27 total

ref: mol2, SDF, SMILES, flexibase
4.16,1.67,-8.79,0,3,0, 271.099, 4

Similar to: 34455515,
373419
 
#69

eMolecules: 836858
AKOS: AKOS000304071
Alinda: IVK/0008035
Alinda Building Blocks: ALBB-001108
ChemDiv BuildingBlocks: BB55-0754...26 total

ref: mol2, SDF, SMILES, flexibase
4.76,1.71,-5.9,0,3,0, 305.544, 4

Similar to: 2578470,
2576718
 
#70

eMolecules: 836860
AKOS: AKOS000304072
Alinda: IVK/0008098
Alinda Building Blocks: ALBB-001109
Chembo Pharma: KB-195835...28 total

ref: mol2, SDF, SMILES, flexibase
3.68,1.19,-7.5,0,3,0, 281.105, 4

Similar to: 34962251, 34962276,
1009223
 
#71

eMolecules: 836862
AKOS: AKOS000304077
Alinda: IVK/0008095
Alinda Building Blocks: ALBB-001110
ChemDiv BuildingBlocks: BB55-0756...26 total

ref: mol2, SDF, SMILES, flexibase
3.93,2.12,-7.59,0,3,0, 250.681, 4
650799
 
#72

eMolecules: 836864
AK Scientific: 3604AE
AKOS: AKOS000304078
Alinda: IVK/0008072
Alinda Building Blocks: ALBB-001111...29 total

ref: mol2, SDF, SMILES, flexibase
4.78,1.16,-7.31,0,3,0, 355.615, 5
650851
 
#73

eMolecules: 836866
AK Scientific: 2582AE
AKOS: AKOS000304083
Alinda: IVK/0008074
Alinda Building Blocks: ALBB-001112...29 total

ref: mol2, SDF, SMILES, flexibase
4.78,1.14,-7.28,0,3,0, 355.615, 5

Similar to: 6425022,
2576719
 
#74

eMolecules: 836868
AKOS: AKOS000304084
Alinda: IVK/0008066
Alinda Building Blocks: ALBB-001113
ChemDiv BuildingBlocks: BB55-0759...24 total

ref: mol2, SDF, SMILES, flexibase
4.62,1.77,-8.66,0,3,0, 311.164, 5

Similar to: 3962295, 35760,
373358
 
#75

eMolecules: 836870
AKOS: AKOS000304090
Alinda Building Blocks: ALBB-001114
ChemDiv BuildingBlocks: BB55-0760
Fluorochem: 014231...25 total

ref: mol2, SDF, SMILES, flexibase
4.88,2.79,-7.1,0,3,0, 284.355, 6

Similar to: 5794180, 6257222, 22200806,
373349
 
#76

eMolecules: 836872
AKOS: AKOS000304091
Alinda: IVK/0008063
Alinda Building Blocks: ALBB-001115
ChemDiv BuildingBlocks: BB55-0761...27 total

ref: mol2, SDF, SMILES, flexibase
3.80,7.38,-7.78,0,3,0, 314.234, 5
373336
 
#77

eMolecules: 836874
Scientific Exchange (make on demand): M-142925
AKOS: AKOS000304095
Aldrich CPR: TMT00512|ALDRICH
Alinda: IBS-L0213233...25 total

ref: mol2, SDF, SMILES, flexibase
4.13,2.64,-7.74,0,3,0, 294.709, 5

Similar to: 6406402,
2576720
 
#78

eMolecules: 836876
Molport: MolPort-000-886-108
AKOS: AKOS000304096
Alinda: IVK/0008096
Alinda Building Blocks: ALBB-001116...28 total

ref: mol2, SDF, SMILES, flexibase
5.98,1.48,-5.17,0,3,0, 374.434, 4
650853
 
#79

eMolecules: 836878
AKOS: AKOS000304024
Alinda: IVK/0008064
Alinda Building Blocks: ALBB-001118
ChemDiv BuildingBlocks: BB55-0764...26 total

ref: mol2, SDF, SMILES, flexibase
4.45,1.16,-7.04,0,3,0, 368.17, 5
373340
 
#80

eMolecules: 836880
ACB Blocks: MIX-1076
AKOS: AKOS000304025
Alinda: IVK/0008076
Alinda Building Blocks: ALBB-000289...29 total

ref: mol2, SDF, SMILES, flexibase
4.24,4.17,-11.94,0,3,0, 310.271, 6

Similar to: 34645996, 34925966, 34925967,
96513
 
#81

eMolecules: 836886
Molport: MolPort-000-886-110
AK Scientific: 9439AE
AKOS: AKOS000304062
Aldrich CPR: CDS015152|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.48,-6.6,0,3,0, 180.203, 4

Similar to: 6406365, 6406368, 34361676, 34925249, ... 4 in total.
35785
 
#82

eMolecules: 631409
AK Scientific: 8222AC
AKOS: AKOS000124099
Alfa-Aesar: H31948
Alinda: IVK/8156175...60 total

ref: mol2, SDF, SMILES, flexibase
2.40,4.59,-5.17,2,2,0, 212.224, 1
lo: mol2, SDF, SMILES, flexibase
2.40,-0.01,-29.57,3,2,1, 213.232, 1
392137
 
#83

eMolecules: 836890, 46475301
AKOS: AKOS003794114, AKOS000220354
Alinda: IVK/0008019
Alinda Building Blocks: ALBB-002153
ChemDiv BuildingBlocks: BB53-1599...37 total

ref: mol2, SDF, SMILES, flexibase
3.12,-0.55,-7.79,2,3,0, 270.163, 2
1002834
 
#84

eMolecules: 836894
Scientific Exchange (make on demand): M-147774
AK Scientific: 4688AE
AKOS: AKOS000220136
Alinda: IVK/9099161...31 total

ref: mol2, SDF, SMILES, flexibase
2.24,0.05,-6.61,2,3,0, 215.3, 2
2388725
 
#85

eMolecules: 836898
Scientific Exchange (make on demand): M-147585
AKOS: AKOS000304067
Aldrich CPR: CDS015114|ALDRICH
Alinda: IVK/9098756...29 total

ref: mol2, SDF, SMILES, flexibase
2.04,-0.12,-7.76,2,3,0, 187.246, 2
2576722
 
#86

eMolecules: 836907, 3965007
Molport: MolPort-000-886-111
Scientific Exchange (make on demand): M-147779, M-978105
AK Scientific: 7469AC, Y9287
AKOS: AKOS000205395...49 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.07,-7.03,2,3,0, 191.209, 2

Similar to: 37784999,
132982
 
#87

eMolecules: 714168
Molport: MolPort-000-001-357
Scientific Exchange (make on demand): R-015896, M-001772
Acros Organics: 27629
AK Scientific: 3298AE...61 total

ref: mol2, SDF, SMILES, flexibase
2.90,-0.6,-9.83,2,3,0, 223.279, 2

Similar to: 33675780,
2388728
 
#88

eMolecules: 818436
Scientific Exchange (make on demand): M-147601
AK Scientific: 4683AE
AKOS: AKOS000304092
Alinda: IVK/0008018...32 total

ref: mol2, SDF, SMILES, flexibase
3.12,-0.53,-8.42,2,3,0, 270.163, 2
214849
 
#89

eMolecules: 818434
Scientific Exchange (make on demand): M-147732
AKOS: AKOS000103853
Alinda: IVK/0008020
Alinda Building Blocks: ALBB-002149...35 total

ref: mol2, SDF, SMILES, flexibase
2.47,5.57,-8.19,2,3,0, 235.718, 2
2565469
 
#90

eMolecules: 836923
AK Scientific: 5396AD
AKOS: AKOS000161977
Alinda: IVK/9120446
Alinda Building Blocks: ALBB-000049...31 total

ref: mol2, SDF, SMILES, flexibase
2.18,3.03,-9.68,3,4,0, 262.334, 3
hi: mol2, SDF, SMILES, flexibase
2.18,3.09,-48.64,2,4,-1, 261.326, 3

Similar to: 14224050, 34959311, 37011266,
286799
 
#91

ChemMol: 2200552, 80100560
eMolecules: 836925
Scientific Exchange (make on demand): Q-021636
AKOS: AKOS000155036
Alinda: IBS-L0063876...33 total

ref: mol2, SDF, SMILES, flexibase
2.98,-4.02,-9.07,3,4,0, 290.388, 3

Similar to: 1157824, 14224050, 14224068, 14224133, 14224134, ... 5 in total.
143547
 
#92

ChemMol: 2200000, 80100000
eMolecules: 836927
Scientific Exchange (make on demand): T-028742, E-083918
AK Scientific: 6678AD
AKOS: AKOS000115402...55 total

ref: mol2, SDF, SMILES, flexibase
1.84,1.57,-10.66,3,5,0, 278.333, 4

Similar to: 1167279, 14224199, 14224201,
369224
 
#93

eMolecules: 836929
AK Scientific: 6682AD
AKOS: AKOS000115403
Alinda: IBS-L0181371
Alinda Building Blocks: ALBB-000051...38 total

ref: mol2, SDF, SMILES, flexibase
1.79,-5.16,-10.73,3,5,0, 278.333, 4

Similar to: 3210859, 14224265, 17073596, 17091441, 39370697, ... 5 in total.
4240013
 
#94

eMolecules: 836931
Scientific Exchange: POD_12/0407
AKOS: AKOS000304030
Alinda Building Blocks: ALBB-000035
ChemDiv BuildingBlocks: BB55-0010...25 total

ref: mol2, SDF, SMILES, flexibase
3.01,-6.49,-8.93,3,4,0, 306.431, 3

Similar to: 42176078, 2182083,
1002833
 
#95

eMolecules: 818568
Scientific Exchange (make on demand): M-724188
AK Scientific: 2406AF
AKOS: AKOS000304028
Alinda: IVK/0008021...38 total

ref: mol2, SDF, SMILES, flexibase
3.10,5.58,-6.56,2,3,0, 270.163, 2
1002835
 
#96

eMolecules: 818564
Scientific Exchange (make on demand): M-148028
AK Scientific: 4691AE
AKOS: AKOS000221732
Alinda: IBS-0012775...37 total

ref: mol2, SDF, SMILES, flexibase
2.28,0.06,-7.16,2,3,0, 215.3, 2

Similar to: 34957504,
2576723
 
#97

eMolecules: 6253840, 818574
Scientific Exchange (make on demand): M-724190, M-978104
AKOS: AKOS000205444
Alinda: IVK/0008010
EvoBlocks: EB27124...41 total

ref: mol2, SDF, SMILES, flexibase
1.79,4.68,-5.94,2,3,0, 187.246, 2
75910
 
#98

ChemMol: 44021792, 80100450, 2200442
eMolecules: 815565
Scientific Exchange: M55-143
Scientific Exchange (make on demand): POD_52/0936
AK Scientific: Z3161...70 total

ref: mol2, SDF, SMILES, flexibase
1.71,3.93,-9.14,2,4,0, 210.258, 3
1722947
 
#99

eMolecules: 828840
AK Scientific: V3752
AKOS: AKOS000200904
Alinda: IBS-L0181365
Alinda Building Blocks: ALBB-000043...61 total

ref: mol2, SDF, SMILES, flexibase
0.08,-1.46,-9.91,3,4,0, 186.236, 2

Similar to: 32147077, 34446396,
126979
 
#100

ChemMol: 80100009, 44012089, 2200009
eMolecules: 440455
Scientific Exchange: POD_03/0777
ACB Blocks: ACT-0026
AK Scientific: HTS000448...100 total

ref: mol2, SDF, SMILES, flexibase
2.06,-0.59,-6.3,2,2,0, 178.26, 0

Similar to: 34342724,

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 = 641 ) limit 0,100

Smiles were