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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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5828397
 
#1

ChemMol: 97800991, 30113199, 44012008
Acros Organics: 31960
Alfa-Aesar: H31447
Alinda Building Blocks: ALBB-014821
APIChem: AC-7151...47 total

ref: mol2, SDF, SMILES, flexibase
-0.53,1.65,-11.17,2,3,0, 133.172, 3
4262417
 
#2

ChemMol: 30113288, 97800482
Molport: MolPort-002-498-166
Acros Organics: 31954
AK Scientific: X8834
Alfa-Aesar: 17162...39 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.82,-5.4,0,1,0, 124.183, 0

Similar to: 5735551, 5751829, 32225556, 32225557, 32226607, ... 16 in total.
164749
 
#3

ChemMol: 98001304, 44008903, 1200947, 1033488
Acros Organics: 31952, SB01673
AK Scientific: X2243
AKOS: AKOS015917516
Alfa-Aesar: B20206...44 total

ref: mol2, SDF, SMILES, flexibase
5.02,4.67,-2.48,0,1,0, 271.185, 3
1686998
 
#4

ChemMol: 83603019, 44022015
Acros Organics: 31944
AK Scientific: Z2597
Alfa-Aesar: H51076
BioSynth: W-200233...29 total

ref: mol2, SDF, SMILES, flexibase
2.95,1.24,-3.58,0,2,0, 169.183, 1
2568122
 
#5

ChemMol: 44008285, 96700969
eMolecules: 514301
Molport: MolPort-001-732-514
Acros Organics: 31943
AK Scientific: 5756AE...37 total

ref: mol2, SDF, SMILES, flexibase
1.92,2.93,-3.73,0,2,0, 147.177, 2

Similar to: 34233976,
2568126
 
#6

Molport: MolPort-001-732-512
Acros Organics: 31940
AK Scientific: 5757AE
Alinda Building Blocks: ALBB-007561
Bosche Scientific: M7584...41 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.55,-5.27,0,3,0, 163.176, 3

Similar to: 39245701,
152313
 
#7

Acros Organics: 31934
AK Scientific: N613
Alfa-Aesar: B25630
Apexmol Building Blocks: AM62608
Apollo Scientific: PC1789...28 total

ref: mol2, SDF, SMILES, flexibase
2.75,3.78,-3.17,0,2,0, 205.11, 2
2568124
 
#8

eMolecules: 514279
Molport: MolPort-001-732-509
Acros Organics: 31930
AK Scientific: 3773AD
Alinda Building Blocks: ALBB-007542...38 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.32,-4.85,0,2,0, 151.14, 2
2555344
 
#9

Acros Organics: 31927
AK Scientific: 4558AE
Alfa-Aesar: L09616
Alinda Building Blocks: ALBB-003053
Chembo Pharma: KB-51132...28 total

ref: mol2, SDF, SMILES, flexibase
0.27,0.94,-4.94,0,4,0, 143.142, 5

Similar to: 39570033,
2568116
 
#10

Acros Organics: 31926
BioSynth: W-200152
Bosche Scientific: D7540
Chembo Pharma: KB-72614
Florida Heterocyclic Compounds: 2566...21 total

ref: mol2, SDF, SMILES, flexibase
1.87,2.93,-3.63,0,3,0, 162.192, 2

Similar to: 32189692,
2568125
 
#11

ChemMol: 1033457
Acros Organics: 31922
AK Scientific: U893
BOC Sciences BB: 19752-09-1
Bosche Scientific: D9111...16 total

ref: mol2, SDF, SMILES, flexibase
2.75,-0.48,-5.04,0,2,0, 202.04, 2
152308
 
#12

Acros Organics: AC31920
AK Scientific: Y9051
Alfa-Aesar: L18709
Alinda Building Blocks: ALBB-003024
BioSynth: W-200361...27 total

ref: mol2, SDF, SMILES, flexibase
1.91,3.15,-6.24,0,4,0, 177.159, 3
388717
 
#13

eMolecules: 515614
Acros Organics: 41158, 31876
AK Scientific: 4119AB, Q324
AKOS: AKOS015840316
Alfa-Aesar: B25539...77 total

ref: mol2, SDF, SMILES, flexibase
0.32,-1.32,-3.06,2,2,0, 118.176, 3
4096161
 
#14

ChemMol: 42300800
Acros Organics: 31498
AK Scientific: Y2050
Alfa-Aesar: L08127, L07026
American Custom Chemicals Corp.: CRB0000898...57 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-9.82,-7.88,4,6,0, 194.183, 2

Similar to: 901783, 967344, 1041340, 1850262, 2020260, ... 9 in total.
1648307
 
#15

eMolecules: 481068
Molport: MolPort-001-790-837
Acros Organics: 31465
AKOS: AKOS009156913
Angene Building Blocks: AGN-PC-00DKJ0...60 total

ref: mol2, SDF, SMILES, flexibase
1.17,2.07,-6.16,1,2,0, 152.193, 4

Similar to: 2579341, 5380571, 6094429, 34401194, 34429890, ... 15 in total.
1652069
 
#16

ChemMol: 1033500, 83603548, 98000519, 44012075, 1202365, 97800159
Molport: MolPort-002-470-461
Acros Organics: 31463
AK Scientific: V6439
AKOS: AKOS000120798...65 total

ref: mol2, SDF, SMILES, flexibase
2.64,4.06,-6.61,0,2,0, 163.201, 1
2539356
 
#17

Acros Organics: 31459
AK Scientific: 3567AD
Alfa-Aesar: L15993
Alinda Building Blocks: ALBB-021380
Chembo Pharma: KB-31334...25 total

ref: mol2, SDF, SMILES, flexibase
0.95,0.64,-4.31,0,2,0, 119.551, 3
409390
 
#18

Acros Organics: 31457
Chembo Pharma: KB-39636, KB-193149
Element Store BB: b2star-7693-41-6
Sigma Aldrich (Building Blocks): 322393|ALDRICH
Tetrahedron Building Blocks: TS15706...14 total

ref: mol2, SDF, SMILES, flexibase
2.52,2.37,-4.72,0,3,0, 186.594, 3

Similar to: 38251280,
389522
 
#19

Acros Organics: 31456
Element Store BB: b2star-937-62-2
Key Organics Building Blocks: STR05248
Molport BB: MolPort-001-793-988
Ryan Scientific BB: 047-58998...17 total

ref: mol2, SDF, SMILES, flexibase
2.91,2.69,-4,0,2,0, 170.595, 2

Similar to: 2582037, 2582038, 2582039, 34560395, 39384786, ... 6 in total.
4262409
 
#20

Acros Organics: 31451
Ark Pharm Building Blocks: AK162792
Capot Chemical: 8109
FineTech: FT-0604427
Sigma Aldrich (Building Blocks): 378712|ALDRICH...16 total

ref: mol2, SDF, SMILES, flexibase
4.42,2.74,-2.25,0,2,0, 218.724, 3

Similar to: 4528800, 4528801, 4528802, 34485103, 34546340, ... 11 in total.
2504713
 
#21

Acros Organics: 31449
Chembo Pharma: KB-38202
Molport BB: MolPort-003-931-356
Sigma Aldrich (Building Blocks): 378178|ALDRICH
Tetrahedron Building Blocks: TS12954...12 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.03,-3.79,0,2,0, 171.023, 5
2539482
 
#22

Acros Organics: 31447
Chembo Pharma: KB-11910
Element Store BB: b2star-92600-11-8
Molport BB: MolPort-003-929-926
Sigma Aldrich (Building Blocks): 316717|ALDRICH...11 total

ref: mol2, SDF, SMILES, flexibase
2.47,1.93,-2.77,0,2,0, 171.023, 3

Similar to: 4262407,
4262407
 
#23

Acros Organics: 31447
Chembo Pharma: KB-11910
Element Store BB: b2star-92600-11-8
Molport BB: MolPort-003-929-926
Sigma Aldrich (Building Blocks): 316717|ALDRICH...11 total

ref: mol2, SDF, SMILES, flexibase
2.47,1.92,-2.78,0,2,0, 171.023, 3

Similar to: 2539482,
2242593
 
#24

ChemMol: 44002978, 83603153
Acros Organics: 31446
Alfa-Aesar: L14197
Angene Building Blocks: AGN-PC-0JS9YL
Anward: ANW-31154...40 total

ref: mol2, SDF, SMILES, flexibase
1.72,3.41,-3.58,0,2,0, 142.969, 2

Similar to: 4521314,
4521314
 
#25

ChemMol: 44002978, 83603153
Acros Organics: 31446
Alfa-Aesar: L14197
Angene Building Blocks: AGN-PC-0JS9YL
Anward: ANW-31154...40 total

ref: mol2, SDF, SMILES, flexibase
1.72,3.41,-3.59,0,2,0, 142.969, 2

Similar to: 2242593,
1603192
 
#26

ChemMol: 98001417, 44006754
Acros Organics: 31444
AK Scientific: Q212
Anward: ANW-38855
BioSynth: W-104011...31 total

ref: mol2, SDF, SMILES, flexibase
2.97,1.33,-4.98,0,1,0, 189.041, 2

Similar to: 34449105, 34567156, 34617989,
2242597
 
#27

ChemMol: 98000129, 44024391
Acros Organics: 31443
AKOS: AKOS009157022
Angene Building Blocks: AGN-PC-0KK5ZY
Anward: ANW-34520...44 total

ref: mol2, SDF, SMILES, flexibase
2.94,1.33,-5.15,0,1,0, 189.041, 2
2149623
 
#28

ChemMol: 96700640
Acros Organics: 31442
Chembo Pharma: KB-72613
Chemstep: 23216
FineTech: FT-0618814...15 total

ref: mol2, SDF, SMILES, flexibase
2.22,1.25,-4.14,0,3,0, 181.578, 2
2504699
 
#29

ChemMol: 83600939
eMolecules: 206843885
Molport: MolPort-001-641-056
Scientific Exchange (make on demand): POD_09/0753
Acros Organics: 31436...43 total

ref: mol2, SDF, SMILES, flexibase
2.99,-0.77,-1.94,0,2,0, 177.247, 1

Similar to: 34473211, 39254643, 39254646, 39282327, 39282328, ... 7 in total.
2516945
 
#30

Acros Organics: 31432
Alfa-Aesar: L13399
Chembo Pharma: KB-59503
FineTech: FT-0627397
Georganics: GEO-02093...30 total

ref: mol2, SDF, SMILES, flexibase
2.01,0,-2.3,0,2,0, 113.16, 4

Similar to: 39270612,
1711364
 
#31

Molport: MolPort-001-791-913
Acros Organics: 31431
AK Scientific: X3467
BOC Sciences BB: 19617-43-7
Chembo Pharma: KB-50589...24 total

ref: mol2, SDF, SMILES, flexibase
0.52,-2.06,-3.38,0,4,0, 115.088, 2
2242678
 
#32

Acros Organics: 31430
FineTech: FT-0611900
Georganics: GEO-02756
Molport BB: MolPort-001-793-977
Sigma Aldrich (Building Blocks): 259322|ALDRICH...13 total

ref: mol2, SDF, SMILES, flexibase
0.00,-1.14,-5.87,0,3,0, 119.507, 1
152305
 
#33

eMolecules: 492023
Acros Organics: 31429, AC31429
AK Scientific: Y4177
Alfa-Aesar: L09762
Alinda Building Blocks: ALBB-007531...34 total

ref: mol2, SDF, SMILES, flexibase
1.81,1.24,-5.31,0,4,0, 179.175, 3
1766603
 
#34

ChemMol: 1033501
Acros Organics: 31428
Alfa-Aesar: A11583
Capot Chemical: 7575
Chembo Pharma: KB-47725...23 total

ref: mol2, SDF, SMILES, flexibase
1.10,1.56,-4.72,0,3,0, 147.133, 1

Similar to: 6661885,
152302
 
#35

eMolecules: 492029
Acros Organics: AC31420
AKOS: AKOS003382287
Alfa-Aesar: L15252
Alinda Building Blocks: ALBB-003029...36 total

ref: mol2, SDF, SMILES, flexibase
2.63,1.69,-2.57,0,2,0, 147.177, 2
2560436
 
#36

ChemMol: 83603616, 1033496
Molport: MolPort-001-732-464
Acros Organics: 31418
AK Scientific: 5264AD
Alfa-Aesar: L09432...36 total

ref: mol2, SDF, SMILES, flexibase
1.50,2.89,-5.25,0,3,0, 144.133, 1
2560390
 
#37

ChemMol: 1034439
Acros Organics: 31417
Alfa-Aesar: L09582
Anward: ANW-22181
Apollo Scientific: PC3115A...28 total

ref: mol2, SDF, SMILES, flexibase
3.48,5.36,-2.38,0,2,0, 255.117, 3
164665
 
#38

ChemMol: 44008097, 97800606
Acros Organics: 31414
AK Scientific: R843
Alfa-Aesar: A19991
Alinda Building Blocks: ALBB-021387...39 total

ref: mol2, SDF, SMILES, flexibase
3.05,0.74,-1.33,0,2,0, 188.013, 1
164768
 
#39

ChemMol: 44022014
eMolecules: 492069
Molport: MolPort-001-732-413
Acros Organics: 31413
AK Scientific: 7864AD...40 total

ref: mol2, SDF, SMILES, flexibase
2.55,0.27,-2.82,0,2,0, 198.019, 1
152297
 
#40

Acros Organics: AC31411
AK Scientific: Q968
Anward: ANW-43426
BioSynth: W-200165
BOC Sciences BB: 17337-13-2...25 total

ref: mol2, SDF, SMILES, flexibase
3.51,1.92,-3.93,0,2,0, 195.221, 2
1756748
 
#41

Acros Organics: 31410
AK Scientific: 7865AD
Alfa-Aesar: L12030
Alinda Building Blocks: ALBB-003041
Chembo Pharma: KB-29339...27 total

ref: mol2, SDF, SMILES, flexibase
1.64,2.96,-7.97,0,3,0, 161.16, 2

Similar to: 34579856,
2170349
 
#42

Acros Organics: 31409
AK Scientific: Q132
AKOS: AKOS000174594
Alfa-Aesar: L11217
BioSynth: W-106917...29 total

ref: mol2, SDF, SMILES, flexibase
3.28,1.83,-2.19,0,2,0, 161.204, 2

Similar to: 164821,
164851
 
#43

Acros Organics: 31407
AK Scientific: 5214AE
Alfa-Aesar: L11299
Alinda Building Blocks: ALBB-007517
BioSynth: W-200416...34 total

ref: mol2, SDF, SMILES, flexibase
2.15,1.22,-4.96,0,3,0, 163.176, 3
1235108
 
#44

eMolecules: 527238
Molport: MolPort-001-758-492
TCM Database @ Taiwan: 30696, tcm03_005361
Acros Organics: 31398
AK Scientific: L571...69 total

ref: mol2, SDF, SMILES, flexibase
2.24,1.95,-6.9,0,2,0, 178.231, 4

Similar to: 4375864, 34227024, 36204506, 36204510, 39018748, ... 8 in total.
409294
 
#45

Acros Organics: 31396
AK Scientific: M900
Alfa-Aesar: B21821
BioSynth: Q-100142
BOC Sciences BB: 13678-68-7...28 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.4,-5.56,0,2,0, 156.206, 3
1841347
 
#46

ChemMol: 1034583, 97806446, 98000138, 1034522, 83600963, 44008818, 1200689
Acros Organics: 31294
AKOS: AKOS009156910
Alfa-Aesar: A14493
Angene Building Blocks: AGN-PC-0JLP8M...53 total

ref: mol2, SDF, SMILES, flexibase
3.26,3.45,-5.45,0,1,0, 208.566, 2

Similar to: 2382305,
1847593
 
#47

ChemMol: 44004862, 1037080, 98000125, 1034521, 1200688
Acros Organics: 31293
Alfa-Aesar: A10564
Anward: ANW-27075
Apollo Scientific: PC7590...50 total

ref: mol2, SDF, SMILES, flexibase
3.24,3.24,-7.97,0,1,0, 208.566, 2
164525
 
#48

ChemMol: 44003229, 1033467, 30115007, 1200933, 98001108, 97800712
Acros Organics: SB01053
AK Scientific: L580
Alfa-Aesar: B20033
Angene Building Blocks: AGN-PC-0JLZKW...56 total

ref: mol2, SDF, SMILES, flexibase
2.74,2.61,-2.53,0,3,0, 203.119, 3

Similar to: 39320926,
12405143
 
#49

ChemMol: 83601364
eMolecules: 206843992
Acros Organics: SPB02881
AK Scientific: Y9508
Alfa-Aesar: H58879...39 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.17,-5.37,3,4,0, 220.15, 3

Similar to: 34961492, 39712885, 2547296,
1665001
 
#50

ChemMol: 44007734
Acros Organics: 31278
AK Scientific: 4384AB
Alfa-Aesar: A17012
Angene Building Blocks: AGN-PC-0CHP8N...54 total

ref: mol2, SDF, SMILES, flexibase
2.29,4.67,-4.73,0,2,0, 168.114, 4
389845
 
#51

Acros Organics: 31267
AK Scientific: P317
AKOS: AKOS005145732
Apollo Scientific: PC6914
Ark Pharm Building Blocks: AK161705...20 total

ref: mol2, SDF, SMILES, flexibase
1.62,8.6,-8.64,0,4,0, 276.152, 0

Similar to: 33805032,
1706222
 
#52

ChemMol: 97803238, 97806236, 97806316, 30100965, 97806319, 97806322, 97806325, 97806329, 44010107, 83600425, 44003548, 97806234, 97806237, 97806317, 97806320, 97806323, 83601338, 44032756, 97806326, 44022704, 97806332, 44010108, 97800566, 97802816, 97806235, 97806266, 30100966, 97806318, 97806321, 97806324, 1202767, 97806328, 44021981, 97806339
Molport: MolPort-020-006-418, MolPort-020-006-421, MolPort-020-006-424, MolPort-020-006-427, MolPort-020-006-431, MolPort-020-006-412, MolPort-020-006-416, MolPort-020-006-419, MolPort-020-006-422, MolPort-020-006-425, MolPort-020-006-429, MolPort-020-006-433, MolPort-020-006-413, MolPort-001-768-916, MolPort-020-006-417, MolPort-020-006-420, MolPort-020-006-423, MolPort-020-006-426, MolPort-020-006-430, MolPort-020-006-436, MolPort-020-006-109, MolPort-020-006-415
Scientific Exchange: POD_29/0148, L19/LTRi-263
Scientific Exchange (make on demand): POD_14/0979
Acorn PharmaTech: ACN-S003618...3293 total

ref: mol2, SDF, SMILES, flexibase
2.12,12.53,-28.85,0,1,1, 242.471, 12

Similar to: 1722767, 2026895, 32136911, 32151675, 32153456, ... 13 in total.
4262400
 
#53

Acros Organics: 31210
Alfa-Aesar: L04695
Anward: ANW-42307
Apollo Scientific: PC4490
Chembo Pharma: KB-77709...23 total

ref: mol2, SDF, SMILES, flexibase
3.00,5.68,-0.8,0,1,0, 232.482, 3
2512257
 
#54

Acros Organics: 31201
Alfa-Aesar: L13231
Angene Building Blocks: AGN-PC-0OX1HW
Anward: ANW-41452, ANW-42792
Apollo Scientific: PC4201U...62 total

ref: mol2, SDF, SMILES, flexibase
-2.47,4.46,-29.05,0,1,1, 98.1, 0
388332
 
#55

ChemMol: 98000441, 30105821, 44004886, 1202336
eMolecules: 483426
L99A/M102Q binders: 4-FLUOROPHENETHYLALC
Molport: MolPort-001-775-428
Acorn PharmaTech: ACN-S003557...70 total

ref: mol2, SDF, SMILES, flexibase
1.65,2.66,-4.02,1,1,0, 140.157, 2

Similar to: 32006501, 44198859,
388684
 
#56

ChemMol: 49423829, 44000573, 30100386, 96700061, 2000254, 1036384, 97800189, 30200806
eMolecules: 512145
Acorn PharmaTech: ACN-S002684
Acros Organics: 31192
AKOS: AKOS004117075...82 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.6,-5.8,1,1,0, 135.141, 0

Similar to: 32222888, 34520835,
156389
 
#57

ChemMol: 97801187, 98001757, 30108668, 44008295, 1201210
Acros Organics: 31190
ACT Chemical BB: ACT01896
Alfa-Aesar: L13955
Anward: ANW-49674...61 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.57,-9.68,0,5,0, 315.347, 4
409205
 
#58

ChemMol: 1031301, 1200155, 44004798, 98000893, 30105747
Acros Organics: 31167
AK Scientific: V2278, V2282
Alfa-Aesar: A19987
Angene Building Blocks: AGN-PC-0JL93V...48 total

ref: mol2, SDF, SMILES, flexibase
2.13,4.17,-7.05,0,1,0, 153.131, 1
409204
 
#59

ChemMol: 44003430, 1200154, 98000892, 30105750, 1031300
Acros Organics: 31166
AK Scientific: L090
Alfa-Aesar: B20246
Angene Building Blocks: AGN-PC-0JTG3J...47 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.21,-7.76,0,1,0, 153.131, 1
388530
 
#60

ChemMol: 1201172, 1033810, 1032220, 30110249, 44000163, 98000245
Acros Organics: 31163
AK Scientific: S123
Alfa-Aesar: A16034
Angene Building Blocks: AGN-PC-0JM0NP...67 total

ref: mol2, SDF, SMILES, flexibase
1.95,1.78,-5.91,1,1,0, 130.093, 0
2539337
 
#61

ChemMol: 98000847, 1037268, 1200330, 97800465, 44000151, 83603545, 30110551
Acros Organics: 31146
AK Scientific: L118
Alfa-Aesar: A18099
Angene Building Blocks: AGN-PC-004C6F...71 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.35,-7.91,0,1,0, 142.104, 1
164838
 
#62

CCP W191G non-binders: MFCD00007763
ChemMol: 98000602, 1201135, 1036763, 30100318, 44009026
eMolecules: 493075
L99A non-binders: 3,5-DIFLUOROANILINE
L99A/M102Q binders: 3,5-DIFLUOROANILINE...100 total

ref: mol2, SDF, SMILES, flexibase
1.27,2.5,-3.26,2,1,0, 129.109, 0
2242586
 
#63

ChemMol: 30100430, 44008912, 1200987, 1034282, 98000040
eMolecules: 490404
Acros Organics: 21429
AK Scientific: I676
Alfa-Aesar: A10220...63 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.1,-8.05,0,1,0, 156.131, 1

Similar to: 44198933,
152696
 
#64

ChemMol: 44003388, 1031214, 1200406, 98000971, 30103613
eMolecules: 502659
Scientific Exchange Building Blocks: F-435529
Acros Organics: BTB03621
AK Scientific: L511...65 total

ref: mol2, SDF, SMILES, flexibase
2.46,3.15,-5.14,0,1,0, 155.559, 0

Similar to: 26516431, 26516433,
165047
 
#65

ChemMol: 83603029, 44015603, 98000949, 44006863, 30110799, 97800572, 1200283, 1037241
eMolecules: 496554
Acros Organics: 31122
AK Scientific: L510
Alfa-Aesar: A19923...69 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.18,-5.93,0,1,0, 158.559, 1
409324
 
#66

ChemMol: 1201188, 30105290, 1033801, 44004520, 98000834, 1032211
eMolecules: 495819
Acros Organics: 31107
ACT Chemical BB: ACT00974
AK Scientific: H621...65 total

ref: mol2, SDF, SMILES, flexibase
2.62,-0.72,-3.67,1,1,0, 190.999, 0
1081160
 
#67

Acros Organics: 31099
AK Scientific: L582
AKOS: AKOS015855607
Anward: ANW-16066
Apollo Scientific: PC1225G...39 total

ref: mol2, SDF, SMILES, flexibase
3.58,1.69,-5.16,4,2,0, 334.263, 4

Similar to: 39366644,
407056
 
#68

ChemMol: 98000429, 44022697
eMolecules: 490110
Acros Organics: 31097
AK Scientific: X2189
Alfa-Aesar: L19998...48 total

ref: mol2, SDF, SMILES, flexibase
1.60,2.62,-4.9,1,1,0, 140.157, 2

Similar to: 32006498,
1577281
 
#69

Acros Organics: 31078
AK Scientific: Y1451
Alfa-Aesar: L11978, L10634
Anward: ANW-43231
Chembo Pharma: KB-68992...105 total

ref: mol2, SDF, SMILES, flexibase
3.27,2.5,-5.17,0,2,0, 168.236, 3

Similar to: 5158176, 5854464, 31490196, 34027437, 34027438, ... 11 in total.
12358644
 
#70

Acros Organics: 31062
Alfa-Aesar: B24693
Anward: ANW-17285
Chembo Pharma: KB-10747
FineTech: FT-0607060...34 total

ref: mol2, SDF, SMILES, flexibase
3.52,-0.04,-1.98,0,0,0, 178.366, 7
hi: mol2, SDF, SMILES, flexibase
3.52,-1.96,-93.22,0,0,-2, 176.35, 7
hi: mol2, SDF, SMILES, flexibase
3.52,-1,-43.27,0,0,-1, 177.358, 7

Similar to: 34027370, 39320761, 39378308,
409328
 
#71

Acros Organics: 31056
Alfa-Aesar: B22287
Anward: ANW-41907
Element Store BB: b2star-38462-22-5
Fluorochem: 002798...35 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.2,-5.5,0,1,0, 186.32, 1
hi: mol2, SDF, SMILES, flexibase
2.40,0.47,-48.28,0,1,-1, 185.312, 1

Similar to: 34582684,
409329
 
#72

Acros Organics: 31056
Alfa-Aesar: B22287
Anward: ANW-41907
Element Store BB: b2star-38462-22-5
Fluorochem: 002798...36 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.3,-5,0,1,0, 186.32, 1
hi: mol2, SDF, SMILES, flexibase
2.40,0.53,-49.07,0,1,-1, 185.312, 1

Similar to: 34582684,
409330
 
#73

Acros Organics: 31056
Alfa-Aesar: B22287
Anward: ANW-41907
Element Store BB: b2star-38462-22-5
Fluorochem: 002798...36 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.39,-5.14,0,1,0, 186.32, 1
hi: mol2, SDF, SMILES, flexibase
2.40,0.43,-51.83,0,1,-1, 185.312, 1

Similar to: 34582684,
409331
 
#74

Acros Organics: 31056
Alfa-Aesar: B22287
Anward: ANW-41907
Element Store BB: b2star-38462-22-5
Fluorochem: 002798...36 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.27,-5.08,0,1,0, 186.32, 1
hi: mol2, SDF, SMILES, flexibase
2.40,0.48,-48.33,0,1,-1, 185.312, 1

Similar to: 34582684,
2036101
 
#75

Acros Organics: 31053
Alfa-Aesar: A18786
American Custom Chemicals Corp.: CHM0124861
Anward: ANW-25589
BOC Sciences BB: 2497-18-9...27 total

ref: mol2, SDF, SMILES, flexibase
2.58,2.84,-4.96,0,2,0, 142.198, 5

Similar to: 2384561, 2384589, 4025725, 5761776, 5761911, ... 14 in total.
409334
 
#76

eMolecules: 595735
Molport: MolPort-003-960-071
Acros Organics: 31052
AKOS: AKOS015852531
Alfa-Aesar: B21691...31 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.49,-4.7,0,1,0, 128.196, 2

Similar to: 36458704, 39646351,
391109
 
#77

Acros Organics: 31051
AKOS: AKOS008948132
Alfa-Aesar: A12966
Angene Building Blocks: AGN-PC-0D0HEQ
Anward: ANW-40872...70 total

ref: mol2, SDF, SMILES, flexibase
1.67,4.54,-4.58,0,2,0, 116.16, 3

Similar to: 34454831,
1648312
 
#78

Acros Organics: 31049
AK Scientific: U094
Alfa-Aesar: A14729
American Custom Chemicals Corp.: FFG0000322
Angene Building Blocks: AGN-PC-0BU38O...63 total

ref: mol2, SDF, SMILES, flexibase
3.20,2.75,-4.56,0,2,0, 158.241, 7

Similar to: 4202910, 4403542, 4522694, 4578756, 4791816, ... 21 in total.
407078
 
#79

ChemMol: 30101073
eMolecules: 491175
Molport: MolPort-003-928-426
Scientific Exchange (make on demand): F-137687
Acorn PharmaTech: ACN-S003343...57 total

ref: mol2, SDF, SMILES, flexibase
2.03,-0.43,-5.05,0,3,0, 166.224, 3

Similar to: 34638833, 34638834,
407077
 
#80

ChemMol: 30101073
eMolecules: 491175
Molport: MolPort-003-928-426
Scientific Exchange (make on demand): F-137687
Acorn PharmaTech: ACN-S003343...57 total

ref: mol2, SDF, SMILES, flexibase
2.03,-0.43,-5.05,0,3,0, 166.224, 3

Similar to: 34638833, 34638834,
1736014
 
#81

ChemMol: 44007852
Acros Organics: 31035
AK Scientific: X4417
Angene Building Blocks: AGN-PC-0JL9DK
Ark Pharm Building Blocks: AK105978...36 total

ref: mol2, SDF, SMILES, flexibase
0.91,3.78,-7.37,0,3,0, 132.159, 5

Similar to: 34016822, 34940702, 40177151,
12363441
 
#82

ChemMol: 97801586
eMolecules: 31236028
Molport: MolPort-002-501-965, MolPort-011-284-677
Acros Organics: 31029
AKOS: AKOS015855422...71 total

ref: mol2, SDF, SMILES, flexibase
-0.07,-1.26,-5.25,2,2,0, 102.133, 0
1713876
 
#83

ChemMol: 80101369, 30108313
Scientific Exchange (make on demand): POD_87/0452
Acros Organics: 31026
AKOS: AKOS003630953
Alfa-Aesar: A15791...94 total

ref: mol2, SDF, SMILES, flexibase
3.59,1.39,-4.42,0,1,0, 184.238, 3

Similar to: 6644687, 34645861, 39253938,
2041302
 
#84

ChemMol: 30102482, 30103582
eMolecules: 485733
Molport: MolPort-003-927-039
TCM Database @ Taiwan: 26775, tcm03_005186
Acros Organics: 13273...437 total

ref: mol2, SDF, SMILES, flexibase
-3.09,-13.27,-11.12,6,6,0, 182.172, 5

Similar to: 12502017, 12502019, 34345336, 34345337, 34345338, ... 7 in total.
18279893
 
#85

ChemMol: 30102836
eMolecules: 485733
Molport: MolPort-003-928-393
Acros Organics: 13273, 12534, 38654, 42392
Aldrich CPR: S641154|ALDRICH...413 total

ref: mol2, SDF, SMILES, flexibase
-3.09,-11.21,-11.01,6,6,0, 182.172, 5

Similar to: 39374596, 39374597, 39374598, 39374599, ... 4 in total.
18010484
 
#86

eMolecules: 485733
Acros Organics: 13273, 12534, 38654, 42392
Aldrich CPR: S641154|ALDRICH
Alinda Building Blocks: ALBB-022456
Anward: ANW-43884...188 total

ref: mol2, SDF, SMILES, flexibase
-3.09,-11.88,-11.04,6,6,0, 182.172, 5

Similar to: 39374596, 39374597, 39374598, 39374599, ... 4 in total.
17836367
 
#87

eMolecules: 485733
Acros Organics: 13273, 12534, 38654, 42392
AK Scientific: W2148
Aldrich CPR: S641154|ALDRICH
Alinda Building Blocks: ALBB-022456...183 total

ref: mol2, SDF, SMILES, flexibase
-3.09,-11.23,-10.85,6,6,0, 182.172, 5

Similar to: 34345336, 34345337, 34345338, 34345339, 39374596, ... 8 in total.
4095531
 
#88

TCM Database @ Taiwan: 47278, tcm03_008479
Acros Organics: 18255, 30987
Aldrich CPR: S410241|ALDRICH
Alfa-Aesar: A19434
American Custom Chemicals Corp.: CRB0002885...201 total

ref: mol2, SDF, SMILES, flexibase
-2.95,-17.37,-10.5,8,11,0, 342.297, 4

Similar to: 4217475, 4556538, 4556539, 4556540, 4556541, ... 41 in total.
4244883
 
#89

ChemMol: 44033126, 30100863
eMolecules: 529034
Acros Organics: 30983
AK Scientific: L576
AKOS: AKOS000121048...60 total

ref: mol2, SDF, SMILES, flexibase
1.45,3.39,-3.8,2,1,0, 139.223, 1

Similar to: 39331248,
2003940
 
#90

Acros Organics: 30972
AK Scientific: 4700AD
Alfa-Aesar: L09245
Apollo Scientific: PC4765
BOC Sciences BB: 1515-14-6...39 total

ref: mol2, SDF, SMILES, flexibase
1.97,0.89,-2.59,1,1,0, 182.063, 2
1847430
 
#91

Acros Organics: 30968
AK Scientific: 3141AE
Alfa-Aesar: L10400
Apollo Scientific: PC4394
FineTech: FT-0609062...19 total

ref: mol2, SDF, SMILES, flexibase
3.03,7.12,-4.57,0,2,0, 254.101, 6

Similar to: 34343467,
154523
 
#92

ChemMol: 30105227, 1031640
eMolecules: 508131
Acros Organics: 30962
AK Scientific: I271
AKOS: AKOS000276629...47 total

ref: mol2, SDF, SMILES, flexibase
3.03,0.38,-5.02,0,1,0, 195.07, 1

Similar to: 5167503,
156323
 
#93

ChemMol: 1031519, 96700674, 30105294, 97801098, 44004523, 1201560, 98001688, 30200761
Acorn PharmaTech: ACN-S003054
Acros Organics: 30957
ACT Chemical BB: ACT02586
AK Scientific: I371...76 total

ref: mol2, SDF, SMILES, flexibase
2.51,0.27,-5.78,0,1,0, 211.058, 0

Similar to: 34345572, 34384576, 34384577, 34458089, 34555413, ... 7 in total.
1846603
 
#94

Molport: MolPort-001-776-514
Acros Organics: 30945
AK Scientific: 4344AE
Alfa-Aesar: B21304
Anward: ANW-30909...33 total

ref: mol2, SDF, SMILES, flexibase
2.21,4.59,-3.95,0,2,0, 190.12, 3

Similar to: 5841617, 32154576, 32217740, 32217978, 32217980, ... 7 in total.
2390110
 
#95

ChemMol: 83600835
Acros Organics: 30943
AK Scientific: 6619AE
Alfa-Aesar: L11604
Anward: ANW-33645...24 total

ref: mol2, SDF, SMILES, flexibase
2.21,-1.32,-1.61,0,1,0, 121.592, 2
4262390
 
#96

ChemMol: 1200682, 1037238, 98001522
Acros Organics: 30933
AKOS: AKOS000281059
Alfa-Aesar: A18603
Anward: ANW-39010...36 total

ref: mol2, SDF, SMILES, flexibase
2.74,3.42,-3.81,0,1,0, 194.539, 1

Similar to: 34336003, 34336013, 34426871,
66126
 
#97

ChemMol: 30200847, 1036569
eMolecules: 504308
Scientific Exchange (make on demand): F-393737
Acros Organics: 30928, AC30928
AK Scientific: HTS001783...67 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.17,-11.56,1,3,0, 175.187, 2

Similar to: 5090570, 32220226, 34561923, 36459569, 39341744, ... 8 in total.
152294
 
#98

ChemMol: 98001002, 44030953, 1033495, 83601316, 1201780
Acros Organics: 30913
AK Scientific: X4033
Alfa-Aesar: L12016
Alinda Building Blocks: ALBB-007573...48 total

ref: mol2, SDF, SMILES, flexibase
3.27,2.97,-3.12,0,2,0, 221.565, 2
2560391
 
#99

Acros Organics: 30909
AK Scientific: 2537AE
Alfa-Aesar: A17322
Anward: ANW-29256
Apollo Scientific: PC4954...32 total

ref: mol2, SDF, SMILES, flexibase
1.84,4.23,-2.5,0,2,0, 156.103, 3
2389893
 
#100

Acros Organics: 30893
AK Scientific: 9673AD
Alfa-Aesar: B21447
Apollo Scientific: PC4756
J&K Chemical: A01472949...25 total

ref: mol2, SDF, SMILES, flexibase
3.21,6.52,-4.33,0,2,0, 236.111, 5

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 = 182 ) limit 0,100

Smiles were