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Supplier information; Representations
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81447
 
#1

eMolecules: 439977
AKOS: AKOS000115319
Aldrich CPR: L320269|ALDRICH
Chembo Pharma: KB-69857
ChemBridge: 5628278...39 total

ref: mol2, SDF, SMILES, flexibase
3.22,8.96,-8.83,0,3,0, 266.275, 3

Similar to: 732134, 732141, 732151, 732153, 732161, ... 23 in total.
555305
 
#2

eMolecules: 1560320
Molport: MolPort-000-874-058
Scientific Exchange (make on demand): H-035095
AKOS: AKOS000113268
Ark Pharm Building Blocks: AK-55552...32 total

ref: mol2, SDF, SMILES, flexibase
2.52,3.68,-8.96,0,2,0, 217.243, 2
3885097
 
#3

Molport: MolPort-002-462-665
Aldrich CPR: CDS013059|ALDRICH
Enamine Building Blocks: EN300-01004
Molport BB: MolPort-002-462-665
Ryan Scientific BB: 000-09036...10 total

ref: mol2, SDF, SMILES, flexibase
3.87,-0.53,-8.22,0,3,0, 259.33, 3
3885099
 
#4

Enamine Building Blocks: EN300-01009
Ryan Scientific BB: 000-09040
AKOS BB (make-on-demand): AKOS000121659
ChemDB: 3990923
PubChem: 3684975...5 total

ref: mol2, SDF, SMILES, flexibase
4.58,2.3,-12.04,0,3,0, 342.192, 3
2522275
 
#5

Enamine Building Blocks: EN300-01011
Ryan Scientific BB: 000-09042
AKOS BB (make-on-demand): AKOS000121667
ChEMBL12: CHEMBL1367051
ChEMBL19: CHEMBL1367051...8 total

ref: mol2, SDF, SMILES, flexibase
4.45,10.17,-12.52,0,3,0, 297.741, 3

Similar to: 3198081,
3885102
 
#6

Enamine Building Blocks: EN300-01015
Ryan Scientific BB: 000-09046
ChemDB: 3990929
PubChem: 3865886
ref: mol2, SDF, SMILES, flexibase
4.93,5.48,-21.49,0,4,0, 421.422, 4
3885103
 
#7

Enamine Building Blocks: EN300-01017
Ryan Scientific BB: 000-09048
ChemDB: 3990931
PubChem: 3832245
ref: mol2, SDF, SMILES, flexibase
5.30,3.95,-7.63,0,2,0, 418.64, 3
22171819
 
#8

Enamine Building Blocks: EN300-43124
Ryan Scientific BB: 000-33373
Enamine BB Make on Demand: BBV-023472
UORSY BB Make-on-demand: BBV-023472
ref: mol2, SDF, SMILES, flexibase
0.02,0.32,-46.44,3,3,1, 185.291, 3
mid: mol2, SDF, SMILES, flexibase
0.02,2.6,-30.82,3,3,1, 185.291, 3
mid: mol2, SDF, SMILES, flexibase
0.02,2.61,-123.5,4,3,2, 186.299, 3
hi: mol2, SDF, SMILES, flexibase
0.02,-0.08,-2.3,2,3,0, 184.283, 3

Similar to: 22171823, 36783413, 36783414, 36786883, 36786884, ... 25 in total.
19473715
 
#9

eMolecules: 31513309
Molport: MolPort-016-633-808
Enamine Building Blocks: EN300-43207, EN300-58168
Molport BB: MolPort-004-337-072, MolPort-016-633-808
Vitas-M: STL194218...10 total

ref: mol2, SDF, SMILES, flexibase
1.79,4.95,-31.07,2,2,1, 197.346, 1
mid: mol2, SDF, SMILES, flexibase
1.79,4.49,-39.58,2,2,1, 197.346, 1
mid: mol2, SDF, SMILES, flexibase
1.79,6.37,-100.85,3,2,2, 198.354, 1

Similar to: 37080164, 37080165, 37081294, 37081295, 37097483, ... 9 in total.
6755998
 
#10

Aldrich CPR: CDS011788|ALDRICH
Bosche Scientific: H14021
Enamine Building Blocks: EN300-43245
Molport BB: MolPort-000-004-015
Ryan Scientific BB: 000-33380...15 total

ref: mol2, SDF, SMILES, flexibase
1.27,0.34,-5.54,3,3,0, 116.164, 3
lo: mol2, SDF, SMILES, flexibase
1.27,0.28,-31.27,4,3,1, 117.172, 3
lo: mol2, SDF, SMILES, flexibase
1.27,0.37,-30.97,4,3,1, 117.172, 3

Similar to: 34369629,
20285780
 
#11

Enamine Building Blocks: EN300-58229, EN300-43838
ref: mol2, SDF, SMILES, flexibase
-1.01,-0.36,-48.75,4,4,1, 166.204, 4
mid: mol2, SDF, SMILES, flexibase
-1.01,-1.76,-12.79,3,4,0, 165.196, 4

Similar to: 21814020, 21816656,
36379428
 
#12

American Custom Chemicals Corp.: CHM0144724
Enamine Building Blocks: EN300-44929, EN300-44913
Ryan Scientific BB: 000-33865
ref: mol2, SDF, SMILES, flexibase
1.23,3.2,-36.72,2,2,1, 183.319, 1
mid: mol2, SDF, SMILES, flexibase
1.23,3.85,-26.43,2,2,1, 183.319, 1
mid: mol2, SDF, SMILES, flexibase
1.23,5.19,-99.11,3,2,2, 184.327, 1
hi: mol2, SDF, SMILES, flexibase
1.23,1.87,-0.96,1,2,0, 182.311, 1
36904505
 
#13

eMolecules: 31410043
Enamine Building Blocks: EN300-45376
Molport BB: MolPort-009-042-311
PBMR Labs Building Blocks: RBK_012864
Ryan Scientific BB: 000-42002...7 total

ref: mol2, SDF, SMILES, flexibase
2.80,8.79,-112.2,3,2,2, 234.387, 5
mid: mol2, SDF, SMILES, flexibase
2.80,6.57,-37.79,2,2,1, 233.379, 5
mid: mol2, SDF, SMILES, flexibase
2.80,7.6,-34.5,2,2,1, 233.379, 5

Similar to: 41027932, 41027933, 45663848, 45663849, ... 19 in total.
36379578
 
#14

eMolecules: 29627230
Enamine Building Blocks: EN300-49944
ref: mol2, SDF, SMILES, flexibase
-1.65,3.77,-32.9,2,4,0, 198.266, 2
mid: mol2, SDF, SMILES, flexibase
-1.65,5.1,-75.4,3,4,1, 199.274, 2
mid: mol2, SDF, SMILES, flexibase
-1.65,2.95,-59.28,2,4,0, 198.266, 2

Similar to: 41797642, 41797796, 41797798, 41850259, 41850339, ... 13 in total.
13476226
 
#15

eMolecules: 25774873
Molport: MolPort-002-355-725
Scientific Exchange (make on demand): Z-013660
AKOS: AKOS001110222
American Custom Chemicals Corp.: HCH0061343...23 total

ref: mol2, SDF, SMILES, flexibase
2.74,7.4,-8.44,1,4,0, 295.136, 5
ref: mol2, SDF, SMILES, flexibase
2.74,7.68,-8.69,1,4,0, 295.136, 5
601242
 
#16

Active BioPharma: 1123
AK Scientific: M364
Anward: ANW-42738
APIChem: AC-11062
Bosche Scientific: D4658...44 total

ref: mol2, SDF, SMILES, flexibase
2.08,9.59,-42.69,3,10,1, 452.491, 4
hi: mol2, SDF, SMILES, flexibase
2.08,9.28,-18.46,2,10,0, 451.483, 4

Similar to: 896512, 22060611, 22060614, 22060623, 22060626, ... 8 in total.
19171884
 
#17

American Custom Chemicals Corp.: CHM0143999
Enamine Building Blocks: EN300-54138, EN300-54308
PBMR Labs Building Blocks: RBK_055688
Innovapharm BB Make on Demand: BBV-00050113
Fluorochem (Depleted): 094370...7 total

ref: mol2, SDF, SMILES, flexibase
-0.98,-0.06,-34.48,4,3,1, 117.172, 2
mid: mol2, SDF, SMILES, flexibase
-0.98,-0.9,-41.71,4,3,1, 117.172, 2
mid: mol2, SDF, SMILES, flexibase
-0.98,-0.62,-3.31,3,3,0, 116.164, 2
34551728
 
#18

Molport: MolPort-016-634-425
Enamine Building Blocks: EN300-54244
Molport BB: MolPort-016-634-425
Ryan Scientific BB: 000-37964
Fluorochem (Depleted): 354696...10 total

ref: mol2, SDF, SMILES, flexibase
1.13,5.36,-12.07,1,3,0, 174.203, 1
381836
 
#19

eMolecules: 1456544
Molport: MolPort-001-521-724
Scientific Exchange (make on demand): E-086658
AKOS: AKOS000597246
Alinda: IBS-L0032301...35 total

ref: mol2, SDF, SMILES, flexibase
1.46,5.39,-8.43,2,3,0, 218.3, 3

Similar to: 3199149, 32104122, 32128491, 36789612, 36791747, ... 12 in total.
20284178
 
#20

Molport: MolPort-002-472-073
Aldrich CPR: CDS019548|ALDRICH
Enamine Building Blocks: EN300-58593, EN300-54377
Molport BB: MolPort-002-472-073, MolPort-009-157-469
Ryan Scientific BB: 000-38060...17 total

ref: mol2, SDF, SMILES, flexibase
2.93,5.46,-8.95,2,2,0, 226.251, 2
lo: mol2, SDF, SMILES, flexibase
2.93,5.91,-36.71,3,2,1, 227.259, 2

Similar to: 36204801, 36205423, 36753164,
36904198
 
#21

AKOS: AKOS008122463
Enamine Building Blocks: EN300-54423
Mcule: MCULE-7067194743
Ryan Scientific BB: 000-38091
Fluorochem (Depleted): 354754...9 total

ref: mol2, SDF, SMILES, flexibase
4.06,7.36,-3.43,0,1,0, 340.986, 4

Similar to: 42205501, 42205504, 36803895,
6031399
 
#22

eMolecules: 490481
Molport: MolPort-001-794-179
Acros Organics: 21494
AK Scientific: 9092AB
Alfa-Aesar: H27337...31 total

ref: mol2, SDF, SMILES, flexibase
1.16,0.99,-2.77,1,1,0, 86.134, 1

Similar to: 32218183, 34632688, 39320533,
39947122
 
#23

Molport: MolPort-016-634-462
Enamine Building Blocks: EN300-54543
Molport BB: MolPort-016-634-462
Fluorochem (Depleted): 354787
PubChem: 47002159...6 total

ref: mol2, SDF, SMILES, flexibase
4.89,11.1,-8.49,0,4,0, 464.943, 4
12505676
 
#24

Molport: MolPort-004-289-043
Enamine Building Blocks: EN300-27853, EN300-54630
Molport BB: MolPort-004-289-043
Ryan Scientific BB: 000-39509, 000-24782
AKOS BB (make-on-demand): AKOS000123600...13 total

ref: mol2, SDF, SMILES, flexibase
2.42,4.34,-4.12,1,1,0, 151.184, 0

Similar to: 36751699,
20177354
 
#25

AK Scientific: V3698
Angene Building Blocks: AGN-PC-03WER6
Ark Pharm Building Blocks: AK147007
Combi-Blocks: QB-6046
Enamine Building Blocks: EN300-54666...23 total

ref: mol2, SDF, SMILES, flexibase
0.21,0.28,-5.9,1,2,0, 84.122, 1
19402929
 
#26

Enamine Building Blocks: EN300-54761
Mcule: MCULE-5254037364
Molport BB: MolPort-004-322-517
Ryan Scientific BB: 000-38296
UORSY: PB31798981...12 total

ref: mol2, SDF, SMILES, flexibase
1.14,2.98,-6.89,0,4,0, 261.108, 1

Similar to: 37860722, 37861084, 37981321, 37983966, 37983967, ... 7 in total.
57217481
 
#27

Enamine Building Blocks: EN300-54830
Ryan Scientific BB: 000-38339
PubChem: 52420360, 12350146
SureChEMBL: SCHEMBL1368986, SCHEMBL3296582
Enamine BB Make on Demand: BBV-2082099...8 total

ref: mol2, SDF, SMILES, flexibase
3.77,6.92,-1.93,0,0,0, 263.96, 1
21952235
 
#28

Enamine Building Blocks: EN300-54898
Molport BB: MolPort-004-290-637
Ryan Scientific BB: 000-38394
AKOS BB (make-on-demand): AKOS000125541
Fluorochem (Depleted): 354874...9 total

ref: mol2, SDF, SMILES, flexibase
1.05,3.91,-12.99,1,3,0, 191.23, 1
19972462
 
#29

eMolecules: 32445123
Molport: MolPort-004-398-915
Ark Pharm Building Blocks: AK149293
Enamine Building Blocks: EN300-54974
Mcule: MCULE-2479632584...14 total

ref: mol2, SDF, SMILES, flexibase
2.81,6.53,-5.27,0,1,0, 225.085, 0

Similar to: 38264067, 38264069,
295021
 
#30

eMolecules: 816944
AKOS: AKOS000271425
Aldrich CPR: CBR01859|ALDRICH
Ark Pharm Building Blocks: AK-99350
ChemBridge: 5108125...33 total

ref: mol2, SDF, SMILES, flexibase
1.93,7.26,-10.71,0,3,0, 214.268, 2

Similar to: 39020589,
4228180
 
#31

AKOS: AKOS000320039
Enamine Building Blocks: EN300-55101
Fluorochem: 389687
Molport BB: MolPort-000-876-903
Ryan Scientific BB: 000-39526...14 total

ref: mol2, SDF, SMILES, flexibase
1.16,7.33,-8.17,0,5,0, 242.271, 6

Similar to: 34353154, 34522548, 34522549,
36960699
 
#32

Molport: MolPort-011-520-711
Enamine Building Blocks: EN300-55169
Molport BB: MolPort-011-520-711
Ryan Scientific BB: 000-38564
Fluorochem (Depleted): 354944...9 total

ref: mol2, SDF, SMILES, flexibase
2.63,6.8,-7.37,1,3,0, 285.088, 1

Similar to: 34979014,
5140680
 
#33

Molport: MolPort-007-991-525
Enamine Building Blocks: EN300-55253
Molport BB: MolPort-007-991-525
Ryan Scientific BB: 000-38605
Innovapharm BB Make on Demand: BBV-00044813...14 total

ref: mol2, SDF, SMILES, flexibase
1.33,-2.18,-3.89,1,2,0, 151.209, 2

Similar to: 34956770,
487065
 
#34

eMolecules: 4678912
Scientific Exchange (make on demand): X-091281
AK Scientific: Y9053
Anward: ANW-69134
Ark Pharm Building Blocks: AK-43224...27 total

ref: mol2, SDF, SMILES, flexibase
1.31,0.35,-8.62,1,3,0, 160.176, 1

Similar to: 39134393, 39134573,
19256612
 
#35

Aldrich CPR: CDS011707|ALDRICH
Enamine Building Blocks: EN300-55400, EN300-55622
Ryan Scientific BB: 000-38697, 000-38798
Sigma Aldrich (Building Blocks): CDS011707|ALDRICH
BOC Sciences BB (Depleted): 26842-43-3...15 total

ref: mol2, SDF, SMILES, flexibase
1.60,1.66,-6.45,2,2,0, 126.203, 2

Similar to: 2388312, 5759874,
2546115
 
#36

Angene Building Blocks: AGN-PC-0JLZG3
Chembo Pharma: KB-274679
Enamine Building Blocks: EN300-55448
Mcule: MCULE-3918741506
Molport BB: MolPort-004-388-372...23 total

ref: mol2, SDF, SMILES, flexibase
5.03,1.42,-2.07,1,1,0, 191.318, 4

Similar to: 21787379, 21810951, 21810953, 21810955, 21810957, ... 18 in total.
22176389
 
#37

Enamine Building Blocks: EN300-55510
Molport BB: MolPort-004-304-370
Ryan Scientific BB: 000-38771
AKOS BB (make-on-demand): AKOS000140697
Fluorochem (Depleted): 355035...10 total

ref: mol2, SDF, SMILES, flexibase
2.88,4.62,-4.17,0,1,0, 154.253, 1

Similar to: 32161692, 32161694, 33951487, 39132269, 39132270, ... 24 in total.
2539356
 
#38

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
19479038
 
#39

Enamine Building Blocks: EN300-55718
Molport BB: MolPort-004-339-486
Ryan Scientific BB: 000-38853
Fluorochem (Depleted): 403773
IBM Patent Data: 136225233...12 total

ref: mol2, SDF, SMILES, flexibase
-0.79,-0.17,-11.12,2,2,0, 105.162, 2
lo: mol2, SDF, SMILES, flexibase
0.30,0.08,-37.89,1,2,-1, 104.154, 2
15443516
 
#40

Molport: MolPort-002-500-771
Enamine Building Blocks: EN300-55771
Fluorochem: 034930
J&K Chemical: A01976010
Molport BB: MolPort-002-500-771...12 total

ref: mol2, SDF, SMILES, flexibase
-0.47,2.62,-10.54,1,5,0, 184.195, 4
mid: mol2, SDF, SMILES, flexibase
-0.47,3.15,-33.05,2,5,1, 185.203, 4

Similar to: 15443518,
34481194
 
#41

Enamine Building Blocks: EN300-55955, EN300-55851
Molport BB: MolPort-009-067-856
Ryan Scientific BB: 000-39013, 000-38948
Fluorochem (Depleted): 355128
PubChem: 45792544...10 total

ref: mol2, SDF, SMILES, flexibase
0.75,7.63,-14.71,0,4,0, 205.192, 3
34939709
 
#42

eMolecules: 31412423
Molport: MolPort-011-491-166
Enamine Building Blocks: EN300-55916
Mcule: MCULE-3172745447
Molport BB: MolPort-011-491-166...12 total

ref: mol2, SDF, SMILES, flexibase
1.23,1.17,-7.07,2,3,0, 138.17, 1
lo: mol2, SDF, SMILES, flexibase
1.23,1.11,-25.64,3,3,1, 139.178, 1

Similar to: 34939710, 34939711, 34939712, 42175485, 42175487, ... 7 in total.
19261843
 
#43

Enamine Building Blocks: EN300-55975
Mcule: MCULE-1229459836
Molport BB: MolPort-004-311-709
Ryan Scientific BB: 000-39030
Fluorochem (Depleted): 355139...10 total

ref: mol2, SDF, SMILES, flexibase
0.52,2.04,-15.28,3,4,0, 194.234, 3

Similar to: 37006840, 37006841, 37006842, 37027841, 37045204, ... 7 in total.
389602
 
#44

ChemMol: 1032359, 1033662, 1033949
eMolecules: 499057
Molport: MolPort-001-773-642
Acros Organics: 39995
AK Scientific: Z0818...40 total

ref: mol2, SDF, SMILES, flexibase
1.65,1.69,-6.95,1,2,0, 142.129, 1

Similar to: 39125671, 39255256,
388277
 
#45

ChemMol: 30115228
eMolecules: 482113
Acros Organics: 37651, 16358
AK Scientific: X8527
AKOS: AKOS015835324...76 total

ref: mol2, SDF, SMILES, flexibase
2.31,-1.69,-3.72,1,1,0, 201.063, 1

Similar to: 34597543, 36456569,
36165
 
#46

eMolecules: 1179062
Molport: MolPort-001-000-911
Scientific Exchange: POD_29/0385
AKOS: AKOS000112223
Aldrich CPR: CDS018522|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
0.08,1.3,-5.81,2,6,0, 182.183, 1

Similar to: 3664258,
39947468
 
#47

Enamine Building Blocks: EN300-56228
Molport BB: MolPort-009-105-543
Ryan Scientific BB: 000-39702
Fluorochem (Depleted): 355202
PubChem: 51921972...9 total

ref: mol2, SDF, SMILES, flexibase
1.80,3.57,-12.17,1,2,0, 179.194, 3

Similar to: 39947466, 26479175,
34404864
 
#48

Enamine Building Blocks: EN300-56281
Ryan Scientific BB: 000-39733
Otava (Virtual): 10021244
PubChem: 14883415
SureChEMBL: SCHEMBL9511636...5 total

ref: mol2, SDF, SMILES, flexibase
0.62,0.54,-8.87,2,3,0, 150.609, 3
39947477
 
#49

eMolecules: 30415210
Molport: MolPort-009-072-328
Enamine Building Blocks: EN300-56342
Molport BB: MolPort-009-072-328
Ryan Scientific BB: 000-39761...7 total

ref: mol2, SDF, SMILES, flexibase
1.19,-2.23,-21.63,4,5,0, 220.257, 2
2271836
 
#50

eMolecules: 857881
Molport: MolPort-000-893-727
Scientific Exchange (make on demand): M-405315
AK Scientific: 5723AE
AKOS: AKOS000172914...45 total

ref: mol2, SDF, SMILES, flexibase
1.94,5,-8.58,0,2,0, 160.172, 3

Similar to: 38292927,
36722143
 
#51

eMolecules: 31412849
Molport: MolPort-011-509-646
Enamine Building Blocks: EN300-56523
Molport BB: MolPort-011-509-646
Ryan Scientific BB: 000-39887...12 total

ref: mol2, SDF, SMILES, flexibase
1.01,4.8,-8.48,2,4,0, 208.171, 1
60274870
 
#52

Molport: MolPort-016-634-703
Enamine Building Blocks: EN300-56604
Molport BB: MolPort-016-634-703
Ryan Scientific BB: 000-49210
PubChem: 50989248...5 total

ref: mol2, SDF, SMILES, flexibase
3.58,5.5,-8.37,1,5,0, 332.303, 6
62149309
 
#53

eMolecules: 36648975
Molport: MolPort-020-166-009, MolPort-020-067-657
Enamine Building Blocks: EN300-56778
Molport BB: MolPort-020-166-009
Ryan Scientific BB: 000-49989...7 total

ref: mol2, SDF, SMILES, flexibase
2.25,4.34,-7.4,1,5,0, 251.208, 6
19810012
 
#54

ChemMol: 30107731, 83601407, 44006085, 83601573
eMolecules: 731741
Molport: MolPort-001-535-871, MolPort-016-634-724
Scientific Exchange (make on demand): Q-021656
Acros Organics: 34670...101 total

ref: mol2, SDF, SMILES, flexibase
-1.84,-1.06,-11.14,4,3,0, 150.181, 2

Similar to: 33975314, 34478015, 34478016, 37870600, 37870601, ... 7 in total.
20565624
 
#55

Enamine Building Blocks: EN300-56914
Molport BB: MolPort-005-185-903
Ryan Scientific BB: 000-39988
Fluorochem (Depleted): 355328
PubChem: 43100576...8 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.3,-8.51,1,3,0, 271.158, 4
lo: mol2, SDF, SMILES, flexibase
1.43,4.73,-43.75,2,3,1, 272.166, 4

Similar to: 36771411, 36771412, 41715108, 41715112, ... 4 in total.
1701718
 
#56

eMolecules: 7397680
Molport: MolPort-015-091-757
Aldrich CPR: T161284|ALDRICH
Enamine: Z234898059
Enamine Building Blocks: EN300-56988...15 total

ref: mol2, SDF, SMILES, flexibase
-0.31,0.92,-10.82,1,3,0, 139.154, 2

Similar to: 40051262,
9691573
 
#57

eMolecules: 31413061
Molport: MolPort-005-530-927
Enamine: Z21490772
Enamine Building Blocks: EN300-57123
Mcule: MCULE-8544596734...10 total

ref: mol2, SDF, SMILES, flexibase
2.94,2.31,-9.91,0,7,0, 337.364, 5

Similar to: 25114929, 31842232, 31842248,
33824867
 
#58

Molport: MolPort-011-696-940
Enamine Building Blocks: EN300-57217
Molport BB: MolPort-011-696-940
Ryan Scientific BB: 000-41219
Fluorochem (Depleted): 355393...9 total

ref: mol2, SDF, SMILES, flexibase
1.35,5.57,-18.49,0,4,0, 225.631, 2

Similar to: 33824869, 34360675, 34360677, 34360678, 34360679, ... 14 in total.
19734371
 
#59

Molport: MolPort-020-168-624
Enamine Building Blocks: EN300-96429, EN300-57311
Molport BB: MolPort-020-168-624
Ryan Scientific BB: 000-40181, 047-72837
PubChem: 56828124...13 total

ref: mol2, SDF, SMILES, flexibase
2.67,6.19,-11.79,2,3,0, 223.279, 1
mid: mol2, SDF, SMILES, flexibase
2.67,6.6,-25.34,3,3,1, 224.287, 1
2580720
 
#60

Molport: MolPort-016-633-947
AK Scientific: 4254AE
AKOS: AKOS001124402
Aldrich CPR: CDS016829|ALDRICH
Enamine Building Blocks: EN300-44922...28 total

ref: mol2, SDF, SMILES, flexibase
0.73,2.32,-6.57,3,3,0, 174.203, 2
19474078
 
#61

eMolecules: 30712114
Molport: MolPort-016-634-772, MolPort-004-337-246
Enamine Building Blocks: EN300-58866
Molport BB: MolPort-016-634-772
Ryan Scientific BB: 000-40237...10 total

ref: mol2, SDF, SMILES, flexibase
1.51,6.41,-41.19,4,5,1, 267.312, 4
ref: mol2, SDF, SMILES, flexibase
1.38,6.37,-15.16,3,5,0, 266.304, 3
mid: mol2, SDF, SMILES, flexibase
1.38,6.98,-43.56,4,5,1, 267.312, 3
lo: mol2, SDF, SMILES, flexibase
1.38,6.85,-42.32,4,5,1, 267.312, 3
lo: mol2, SDF, SMILES, flexibase
1.51,6.89,-87.58,5,5,2, 268.32, 4
39947570
 
#62

Molport: MolPort-016-634-784
Enamine: Z276553842
Enamine Building Blocks: EN300-58966
Molport BB: MolPort-016-634-784
Ryan Scientific BB: 000-40301...8 total

ref: mol2, SDF, SMILES, flexibase
0.97,4.92,-10.75,2,3,0, 197.288, 2
35728323
 
#63

Molport: MolPort-015-115-845, MolPort-016-635-973
AK Scientific: W9823
AKOS: AKOS009581510
Anward: ANW-46390
Apexmol Building Blocks: AM20120392...27 total

ref: mol2, SDF, SMILES, flexibase
0.98,2.16,-5.25,2,3,0, 139.202, 1
39947579
 
#64

Enamine Building Blocks: EN300-59090
Ryan Scientific BB: 000-40389
PubChem: 47002371, 51922036
ref: mol2, SDF, SMILES, flexibase
2.32,5.12,-15.66,1,3,0, 268.769, 4

Similar to: 39947581,
79007
 
#65

eMolecules: 5778564
Molport: MolPort-002-914-357
Chembo Pharma: KB-255070
ChemDiv: 0537-0045
Enamine: Z24616611...23 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.81,-13.69,0,4,0, 208.213, 5

Similar to: 39292730,
20507977
 
#66

eMolecules: 31413441
Molport: MolPort-005-255-436
Enamine Building Blocks: EN300-59203
Molport BB: MolPort-005-255-436
Ryan Scientific BB: 000-40456...11 total

ref: mol2, SDF, SMILES, flexibase
2.86,6.49,-4.71,2,2,0, 219.328, 3

Similar to: 21801486, 36664881, 36664882,
1699966
 
#67

eMolecules: 524049
Molport: MolPort-001-781-913
Scientific Exchange (make on demand): F-137700
AK Scientific: U209
AKOS: AKOS000253221...59 total

ref: mol2, SDF, SMILES, flexibase
2.22,3.96,-2.87,1,1,0, 121.183, 1

Similar to: 39261865,
19812397
 
#68

Enamine Building Blocks: EN300-59385
Molport BB: MolPort-004-359-122
Ryan Scientific BB: 000-40537
PubChem: 28375143
Ambinter: Amb6667618...7 total

ref: mol2, SDF, SMILES, flexibase
2.48,7.18,-8.77,2,3,0, 272.735, 2

Similar to: 21815107,
6258326
 
#69

Molport: MolPort-011-529-425
Enamine Building Blocks: EN300-59454
Molport BB: MolPort-011-529-425
Ryan Scientific BB: 000-40587
PubChem: 6426057...8 total

ref: mol2, SDF, SMILES, flexibase
3.06,0.56,-11.82,0,6,0, 274.667, 1
30769559
 
#70

eMolecules: 28304753
AK Scientific: 3451AF
AKOS: AKOS008130491
Ark Pharm Building Blocks: AK-66809
Enamine Building Blocks: EN300-59497...22 total

ref: mol2, SDF, SMILES, flexibase
2.32,3.98,-7.16,2,4,0, 209.245, 4

Similar to: 32206849, 36765594, 345706,
19875180
 
#71

eMolecules: 31413646
Molport: MolPort-016-634-859
Enamine Building Blocks: EN300-144916, EN300-59572
Molport BB: MolPort-016-634-859
Ryan Scientific BB: 000-40650...12 total

ref: mol2, SDF, SMILES, flexibase
3.00,7.81,-4.59,2,2,0, 238.334, 2

Similar to: 36888780, 39047616,
404098
 
#72

eMolecules: 519869
Molport: MolPort-002-461-793
Acros Organics: 35705
AK Scientific: O052
Alfa-Aesar: B25367...48 total

ref: mol2, SDF, SMILES, flexibase
0.62,-0.09,-9.23,4,3,0, 150.181, 1

Similar to: 38583444,
19408856
 
#73

eMolecules: 31413707
Enamine Building Blocks: EN300-59671
Molport BB: MolPort-004-323-994
Ryan Scientific BB: 000-40717
AKOS BB (make-on-demand): AKOS000166435...10 total

ref: mol2, SDF, SMILES, flexibase
1.08,6.13,-28.22,1,5,0, 235.239, 5

Similar to: 37790683,
37233427
 
#74

Molport: MolPort-016-634-881
Enamine Building Blocks: EN300-144990, EN300-59720
Molport BB: MolPort-016-634-881
Ryan Scientific BB: 000-40751
PubChem: 47002474...9 total

ref: mol2, SDF, SMILES, flexibase
2.22,5.88,-6.09,2,3,0, 223.226, 2
mid: mol2, SDF, SMILES, flexibase
2.22,5.92,-29.66,3,3,1, 224.234, 2

Similar to: 36670260, 34963979, 34963993, 34963995, 34964002, ... 17 in total.
8699783
 
#75

ChemMol: 44026350
eMolecules: 31413788
Molport: MolPort-019-879-365, MolPort-003-886-280
AK Scientific: 3110AA
Angene Building Blocks: AGN-PC-0JTAGE...31 total

ref: mol2, SDF, SMILES, flexibase
2.19,4.31,-3.34,1,1,0, 133.194, 0
5116680
 
#76

Molport: MolPort-004-752-808
Chemstep: 11523
Enamine: Z234896367
Enamine Building Blocks: EN300-59849
Molport BB: MolPort-004-752-808...14 total

ref: mol2, SDF, SMILES, flexibase
1.96,5.82,-8.98,2,3,0, 181.626, 0
19415887
 
#77

BOC Sciences BB: 2550-37-0
Chembo Pharma: KB-49262
Enamine Building Blocks: EN300-59898
FineTech: FT-0604989
Molport BB: MolPort-004-326-695...26 total

ref: mol2, SDF, SMILES, flexibase
2.92,5.63,-1.16,0,0,0, 130.256, 1

Similar to: 31362026, 2389831,
1760647
 
#78

ChemMol: 1202783
eMolecules: 6203695
Molport: MolPort-002-365-239
AKOS: AKOS005166893
Aldrich CPR: PH001109|ALDRICH...29 total

ref: mol2, SDF, SMILES, flexibase
0.58,1.67,-7.89,1,2,0, 125.171, 0

Similar to: 32254026, 32254027, 32254029, 32254030, 34370380, ... 22 in total.
19479410
 
#79

Molport: MolPort-004-339-649
Enamine Building Blocks: EN300-60030
Molport BB: MolPort-004-339-649
Ryan Scientific BB: 000-40942
Fluorochem (Depleted): 355746...11 total

ref: mol2, SDF, SMILES, flexibase
1.42,2.6,-7.53,2,2,0, 160.267, 1
lo: mol2, SDF, SMILES, flexibase
1.42,2.99,-30.1,3,2,1, 161.275, 1

Similar to: 37037143,
5133579
 
#80

Molport: MolPort-015-091-682
Enamine Building Blocks: EN300-60098
Molport BB: MolPort-015-091-682
Ryan Scientific BB: 000-40984
Fluorochem (Depleted): 355762...9 total

ref: mol2, SDF, SMILES, flexibase
0.45,-2.13,-7.44,1,3,0, 157.213, 2

Similar to: 31334433, 34978587, 34978588, 37809430, 37809439, ... 13 in total.
2386329
 
#81

Ark Pharm Building Blocks: AK137989
Chembo Pharma: KB-190933
Enamine Building Blocks: EN300-60179
FineTech: FT-0618153
Molport BB: MolPort-006-708-890...16 total

ref: mol2, SDF, SMILES, flexibase
3.77,5.17,-5.86,0,2,0, 247.603, 2

Similar to: 35731059,
4625515
 
#82

eMolecules: 2721553
Molport: MolPort-002-736-485
BioBlocks: A3853/0163632
BioBlocks BB: ZERO/005292
Chemical Block: A3853/0163632...29 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.56,-10.65,3,4,0, 184.202, 0
ref: mol2, SDF, SMILES, flexibase
1.56,3.56,-18.88,3,4,0, 184.202, 0

Similar to: 34373350, 34373352, 3944928, 4128015, ... 4 in total.
152780
 
#83

eMolecules: 3794739
AK Scientific: 7440AD
Alinda Building Blocks: ALBB-027906
Ark Pharm Building Blocks: AK121221
Asinex: ASN13560122...35 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.93,-3.96,2,3,0, 206.289, 1

Similar to: 12410556, 22141429, 22141431, 34592250, 34592251, ... 11 in total.
34957586
 
#84

Enamine Building Blocks: EN300-60378
Molport BB: MolPort-007-991-543
Ryan Scientific BB: 000-41088
Innovapharm BB Make on Demand: BBV-00044835
Fluorochem (Depleted): 355821...11 total

ref: mol2, SDF, SMILES, flexibase
2.71,5.93,-4.26,0,0,0, 156.225, 1
hi: mol2, SDF, SMILES, flexibase
2.71,6.46,-48.95,0,0,-1, 155.217, 1

Similar to: 34957585, 26515880, 26515882,
36950258
 
#85

Molport: MolPort-013-286-628
Enamine Building Blocks: EN300-60454
Ryan Scientific BB: 000-41347
Fluorochem (Depleted): 355837
Molport BB (Depleted): MolPort-013-286-628...9 total

ref: mol2, SDF, SMILES, flexibase
3.46,6.03,-3.5,2,2,0, 207.317, 4

Similar to: 39239909, 39239913, 32008462, 34978399, 34978411, ... 10 in total.
19965650
 
#86

Enamine Building Blocks: EN300-60500
Ryan Scientific BB: 000-41372
AKOS BB (make-on-demand): AKOS000247073
PubChem: 28491042
Enamine BB Make on Demand: BBV-137628...6 total

ref: mol2, SDF, SMILES, flexibase
1.73,4.28,-11.01,0,3,0, 177.203, 4

Similar to: 34589449,
12506442
 
#87

American Custom Chemicals Corp.: CCH0003809
Enamine Building Blocks: EN300-69232, EN300-60574
Fluorochem: 355854
Molport BB: MolPort-004-290-067
Ryan Scientific BB: 000-41413...18 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.1,-4.61,1,2,0, 166.22, 3

Similar to: 39018106, 12506440,
13283576
 
#88

ChemMol: 44020207
eMolecules: 7526692
Molport: MolPort-016-634-976
AK Scientific: 7194AD
AKOS: AKOS010225940...26 total

ref: mol2, SDF, SMILES, flexibase
0.75,3.24,-8.97,1,3,0, 145.165, 1
mid: mol2, SDF, SMILES, flexibase
0.75,3.7,-35,2,3,1, 146.173, 1
47843805
 
#89

Molport: MolPort-016-634-984
Enamine Building Blocks: EN300-60687
Molport BB: MolPort-016-634-984
Ryan Scientific BB: 000-41473
PubChem: 47002620...5 total

ref: mol2, SDF, SMILES, flexibase
1.90,6.65,-9.14,2,4,0, 221.647, 2
19513576
 
#90

Enamine Building Blocks: EN300-60741
Molport BB: MolPort-004-349-560
Ryan Scientific BB: 000-41506
PubChem: 24708525
Enamine BB Make on Demand: BBV-085803...6 total

ref: mol2, SDF, SMILES, flexibase
3.58,6.58,-7.3,0,1,0, 269.06, 4

Similar to: 36723903, 36883134, 39238789, 39566098, ... 4 in total.
34082871
 
#91

Enamine Building Blocks: EN300-60794
Molport BB: MolPort-009-173-494
Ryan Scientific BB: 000-41547
Fluorochem (Depleted): 355921
PubChem: 51668843...8 total

ref: mol2, SDF, SMILES, flexibase
2.34,4.92,-9.14,2,3,0, 241.29, 3

Similar to: 38258719, 38258722, 38603187, 38603190, ... 4 in total.
19786113
 
#92

AKOS: AKOS008131954
Enamine Building Blocks: EN300-60868
Mcule: MCULE-4230260294
Molport BB: MolPort-008-510-954
Ryan Scientific BB: 000-41594...11 total

ref: mol2, SDF, SMILES, flexibase
2.16,3.11,-7.06,1,2,0, 166.22, 3

Similar to: 5863011,
36949951
 
#93

Molport: MolPort-013-286-191
Enamine Building Blocks: EN300-60930
Molport BB: MolPort-013-286-191
Ryan Scientific BB: 000-41634
Fluorochem (Depleted): 355960...10 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.5,-6.73,2,4,0, 245.326, 3
mid: mol2, SDF, SMILES, flexibase
1.16,5.77,-44.74,3,4,1, 246.334, 3

Similar to: 39236229, 34218575, 34573075, 34630253, 34630255, ... 5 in total.
34939696
 
#94

Molport: MolPort-011-491-155
AK Scientific: 2989AA
Anward: ANW-67100
Ark Pharm Building Blocks: AK-89980
BePharm Building Blocks: B237911...26 total

ref: mol2, SDF, SMILES, flexibase
-0.02,4.62,-14.09,0,2,0, 123.155, 2

Similar to: 34975747, 34975749, 34939692, 34939694, 34939695, ... 5 in total.
19408266
 
#95

eMolecules: 29817703
Molport: MolPort-004-323-796
AK Scientific: 3193AF
Enamine Building Blocks: EN300-61047
IBScreen: STOCK6S-88948...26 total

ref: mol2, SDF, SMILES, flexibase
2.25,1.19,-9.97,3,3,0, 176.219, 1
47843879
 
#96

Molport: MolPort-009-114-258
Enamine Building Blocks: EN300-61102
Innovapharm Building Blocks: BBS-00018150
Molport BB: MolPort-009-114-258
Ryan Scientific BB: 000-42978...9 total

ref: mol2, SDF, SMILES, flexibase
3.07,5.73,-4.87,0,4,0, 245.113, 1

Similar to: 34974944,
35824
 
#97

ChemMol: 30111518, 44014873, 83602985
eMolecules: 535289
Acros Organics: 35429
AK Scientific: R335
AKOS: AKOS000275091...85 total

ref: mol2, SDF, SMILES, flexibase
1.50,2.69,-4.89,1,2,0, 175.029, 0
37153365
 
#98

eMolecules: 31414947
Molport: MolPort-016-635-060
Enamine Building Blocks: EN300-61208
Mcule: MCULE-8441776059
Molport BB: MolPort-016-635-060...18 total

ref: mol2, SDF, SMILES, flexibase
0.73,1.17,-6.4,1,2,0, 111.144, 0

Similar to: 34454780,
20030958
 
#99

Enamine Building Blocks: EN300-61267
Molport BB: MolPort-000-289-225
Ryan Scientific BB: 000-41844
Innovapharm Make-on-Demand: VT-00108931
AKOS BB (make-on-demand): AKOS000249544...11 total

ref: mol2, SDF, SMILES, flexibase
2.93,8.14,-11.89,0,4,0, 252.273, 4
lo: mol2, SDF, SMILES, flexibase
2.93,8.55,-37.49,1,4,1, 253.281, 4

Similar to: 21802922, 37022017,
3860819
 
#100

ChemMol: 97602554
eMolecules: 533176
Molport: MolPort-003-939-842
Acros Organics: 14079
Alfa-Aesar: A18872...82 total

ref: mol2, SDF, SMILES, flexibase
-0.46,3.53,-8.22,0,2,0, 100.117, 0

Similar to: 34353853, 34353855,

Old detail retrieval took 3 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 = 334 ) limit 0,100

Smiles were