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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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161544
 
#1

eMolecules: 721543
Acros Organics: KM08949
AK Scientific: Y7574
AKOS: AKOS000198903
Aldrich CPR: PH003718|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
1.86,5.25,-9.93,0,3,0, 238.718, 2

Similar to: 5338369,
57549266
 
#2

MicroCombiChem BB Make-on-demand: 100013
PubChem: 44249974
ref: mol2, SDF, SMILES, flexibase
1.08,7.48,-16.08,0,5,0, 262.309, 4
2456527
 
#3

Molport: MolPort-002-498-218
AKOS: AKOS000263235
Chembo Pharma: KB-08881
Chemstep: 6
Enamine Building Blocks: EN300-04558...23 total

ref: mol2, SDF, SMILES, flexibase
-0.48,3.19,-16.91,0,4,0, 204.657, 1

Similar to: 37833788,
57517899
 
#4

MicroCombiChem BB Make-on-demand: 100038
ref: mol2, SDF, SMILES, flexibase
-1.26,4.29,-18.7,0,6,0, 228.248, 3
160349
 
#5

ChemMol: 96708010
Chembo Pharma: KB-169285
MicroCombiChem BB Make-on-demand: 100062
Apollo Scientific (Depleted): OR24653
ChemDB: 4730696...8 total

ref: mol2, SDF, SMILES, flexibase
2.27,0.73,-10.13,0,3,0, 267.756, 3
37654083
 
#6

MicroCombiChem BB Make-on-demand: 100067
PubChem: 60807867
Enamine BB Make on Demand: BBV-32061637
UORSY BB Make-on-demand: BBV-32061637
ref: mol2, SDF, SMILES, flexibase
0.27,3.75,-12.1,0,4,0, 253.733, 3
mid: mol2, SDF, SMILES, flexibase
0.27,5.98,-55.9,1,4,1, 254.741, 3
34781261
 
#7

Enamine Building Blocks: EN300-12763
Ryan Scientific BB: 000-18918
MicroCombiChem BB Make-on-demand: 100097
ChEMBL12: CHEMBL1473840, CHEMBL1622808
ChEMBL19: CHEMBL1622808...13 total

ref: mol2, SDF, SMILES, flexibase
-0.09,3.61,-16.13,0,5,0, 273.764, 3

Similar to: 37832720, 41673550, 3440649,
34811777
 
#8

MicroCombiChem BB Make-on-demand: 100102
PubChem: 24715103
ref: mol2, SDF, SMILES, flexibase
1.21,3.74,-14.64,2,5,0, 293.754, 1
8700972
 
#9

eMolecules: 2791405
Scientific Exchange (make on demand): F-392611
Enamine Building Blocks: EN300-46993
Fluorochem: 024957
J&K Chemical: A01428015...18 total

ref: mol2, SDF, SMILES, flexibase
1.20,0.25,-12.64,0,5,0, 262.737, 3
49884224
 
#10

MicroCombiChem BB Make-on-demand: 100118
PubChem: 20622412
SureChEMBL: SCHEMBL5622511
ref: mol2, SDF, SMILES, flexibase
0.41,6.15,-17.07,0,7,0, 286.328, 5
13566709
 
#11

AKOS: AKOS000769428
Asinex: ASN12879867
Asinex Building Blocks: BAS12879867
Matrix Scientific: 067322
Mcule: MCULE-2383574371...11 total

ref: mol2, SDF, SMILES, flexibase
2.74,7.75,-10.22,0,2,0, 237.73, 2

Similar to: 34373720, 34373722,
13566710
 
#12

AKOS: AKOS000769428
Asinex: ASN12879867
Asinex Building Blocks: BAS12879867
Matrix Scientific: 067322
Mcule: MCULE-2383574371...11 total

ref: mol2, SDF, SMILES, flexibase
2.74,7.74,-10.19,0,2,0, 237.73, 2

Similar to: 34373720, 34373722,
3379383
 
#13

eMolecules: 1434781
Molport: MolPort-001-011-303
Scientific Exchange (make on demand): M-959317
AK Scientific: HTS007671
AKOS: AKOS000103158...35 total

ref: mol2, SDF, SMILES, flexibase
1.92,-1.79,-11.2,0,4,0, 268.744, 3

Similar to: 6274879, 1558003,
3049033
 
#14

Molport: MolPort-002-853-651
KeyOrganics: 11G-933
Mcule: MCULE-7871201997
MicroCombiChem BB Make-on-demand: 100168
ChemDB: 4691609...8 total

ref: mol2, SDF, SMILES, flexibase
1.13,-0.07,-17.04,0,6,0, 292.335, 5

Similar to: 3384233, 42679549,
3888924
 
#15

eMolecules: 1558075
Molport: MolPort-005-310-747, MolPort-002-470-046
Scientific Exchange (make on demand): Q-063331
AKOS: AKOS000104027
Chembo Pharma: KB-215703...35 total

ref: mol2, SDF, SMILES, flexibase
2.51,-1.93,-10.73,0,3,0, 273.163, 2

Similar to: 5338050,
57626103
 
#16

MicroCombiChem BB Make-on-demand: 100173
ref: mol2, SDF, SMILES, flexibase
1.73,7.99,-17.22,0,5,0, 296.754, 4
19597047
 
#17

eMolecules: 748930
Molport: MolPort-004-520-387
Scientific Exchange (make on demand): T-084558
AK Scientific: 1557AE
AKOS: AKOS002664720...32 total

ref: mol2, SDF, SMILES, flexibase
3.34,9.62,-9.48,0,3,0, 328.843, 4

Similar to: 1171703,
20113957
 
#18

Aronis (Make on Request): SYN2007/17977
MicroCombiChem BB Make-on-demand: 100178
TimTec Make-on-Demand: OVS21334938
PubChem: 28638003
AKOS (make-on-demand): AKOS003551861...5 total

ref: mol2, SDF, SMILES, flexibase
2.56,10.7,-15.4,0,5,0, 352.434, 6
lo: mol2, SDF, SMILES, flexibase
2.56,12.44,-52.75,1,5,1, 353.442, 6
5393518
 
#19

MicroCombiChem BB Make-on-demand: 100182
ChemDB: 6354720
PubChem: 4416610
AKOS (make-on-demand): AKOS003863931
Enamine BB Make on Demand: BBV-5724864...6 total

ref: mol2, SDF, SMILES, flexibase
2.24,-1.47,-10.26,0,4,0, 282.771, 4

Similar to: 32189545, 5128374, 3888899,
4218519
 
#20

Molport: MolPort-005-310-738, MolPort-002-469-869
Scientific Exchange (make on demand): Q-081639
AK Scientific: 3166AE
AKOS: AKOS003801304
Alinda Building Blocks: ALBB-013152...30 total

ref: mol2, SDF, SMILES, flexibase
0.57,4.89,-12.95,0,5,0, 240.694, 2

Similar to: 6342903, 41673157,
37388954
 
#21

Alinda: IBS-L0211327
Life Chemicals Building Blocks: F2158-1322
MicroCombiChem BB Make-on-demand: 100207
TimTec Make-on-Demand: OVS21370131
PubChem: 43237004...7 total

ref: mol2, SDF, SMILES, flexibase
1.76,6.89,-16.77,0,4,0, 280.755, 3
3289266
 
#22

Scientific Exchange (make on demand): M-966131
AKOS: AKOS000671703
Asinex: BAS05462241
Asinex Building Blocks: BAS05462241
Enamine Building Blocks: EN300-01858...18 total

ref: mol2, SDF, SMILES, flexibase
0.45,0.02,-15.47,0,5,0, 256.689, 2

Similar to: 34615146,
8415969
 
#23

MicroCombiChem BB Make-on-demand: 100217
ChemDB: 7119052
PubChem: 4741212
SureChEMBL: SCHEMBL8691022
AKOS (make-on-demand): AKOS003590697...7 total

ref: mol2, SDF, SMILES, flexibase
2.26,6.66,-9.1,0,3,0, 252.745, 2

Similar to: 38778063,
4487622
 
#24

eMolecules: 1532008
Molport: MolPort-002-020-620
AK Scientific: 3956AE
AKOS: AKOS000266411
Aldrich CPR: PH011442|ALDRICH...26 total

ref: mol2, SDF, SMILES, flexibase
1.51,4.94,-7.51,0,2,0, 175.659, 1

Similar to: 3266423,
3266423
 
#25

eMolecules: 1532008
Molport: MolPort-002-020-620
AK Scientific: 3956AE
AKOS: AKOS000266411
Aldrich CPR: PH011442|ALDRICH...26 total

ref: mol2, SDF, SMILES, flexibase
1.51,4.94,-7.52,0,2,0, 175.659, 1

Similar to: 4487622,
39440127
 
#26

Scientific Exchange Building Blocks: F-369147
AKOS: AKOS000813648
MicroCombiChem BB Make-on-demand: 100232
PubChem: 44669114
ref: mol2, SDF, SMILES, flexibase
3.14,7.37,-12.06,0,3,0, 307.608, 2
3049035
 
#27

Molport: MolPort-002-853-667
KeyOrganics: 11G-954
MicroCombiChem BB Make-on-demand: 100233
ChEMBL12: CHEMBL1390784
ChEMBL19: CHEMBL1390784...9 total

ref: mol2, SDF, SMILES, flexibase
2.36,8.45,-18.15,0,5,0, 331.199, 4
3888900
 
#28

Molport: MolPort-005-310-736
American Custom Chemicals Corp.: HCH0107162
Enamine Building Blocks: EN300-14734
Ryan Scientific BB: 000-20718
MicroCombiChem BB Make-on-demand: 100237...13 total

ref: mol2, SDF, SMILES, flexibase
1.38,-3.78,-11.62,1,4,0, 254.717, 2
24869446
 
#29

MicroCombiChem BB Make-on-demand: 100242
ChemDB: 7087225
PubChem: 2756589
AKOS (make-on-demand): AKOS003591368
ref: mol2, SDF, SMILES, flexibase
1.75,3.98,-12.74,0,5,0, 282.727, 2
3888923
 
#30

eMolecules: 1434681
Molport: MolPort-004-481-368, MolPort-001-992-468
AK Scientific: 5381AE
AKOS: AKOS000103105, AKOS008061443
Alinda Building Blocks: ALBB-017476...43 total

ref: mol2, SDF, SMILES, flexibase
1.97,-0.85,-10.35,0,3,0, 256.708, 2

Similar to: 5936671,
9913822
 
#31

Molport: MolPort-002-470-601
AKOS: AKOS000101208
Enamine Building Blocks: EN300-22967
Life Chemicals Building Blocks: F2158-1306
Ryan Scientific BB: 000-22619...11 total

ref: mol2, SDF, SMILES, flexibase
2.49,-1.41,-9.41,0,3,0, 273.163, 2

Similar to: 34940064, 34940065,
24866206
 
#32

MicroCombiChem BB Make-on-demand: 100262
ChemDB: 7087996
PubChem: 2757440
AKOS (make-on-demand): AKOS003586769
Enamine BB Make on Demand: BBV-34214631...6 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.39,-8.3,0,3,0, 230.739, 2
mid: mol2, SDF, SMILES, flexibase
1.56,6.61,-47.13,1,3,1, 231.747, 2

Similar to: 37831469, 37831470,
20268187
 
#33

Molport: MolPort-004-436-464
Enamine Building Blocks: EN300-12966
Molport BB: MolPort-004-436-464
Ryan Scientific BB: 000-19110
MicroCombiChem BB Make-on-demand: 100267...22 total

ref: mol2, SDF, SMILES, flexibase
2.12,6.47,-9.64,0,3,0, 266.772, 3
20268185
 
#34

Molport: MolPort-004-436-464
Enamine Building Blocks: EN300-12966
Molport BB: MolPort-004-436-464
Ryan Scientific BB: 000-19110
MicroCombiChem BB Make-on-demand: 100267...22 total

ref: mol2, SDF, SMILES, flexibase
2.12,6.35,-8.36,0,3,0, 266.772, 3
37833788
 
#35

Molport: MolPort-023-198-523
Enamine Building Blocks: EN300-97004
Molport BB: MolPort-023-198-523
Ryan Scientific BB: 047-79822
MicroCombiChem BB Make-on-demand: 100272...8 total

ref: mol2, SDF, SMILES, flexibase
0.32,3.11,-10.47,0,3,0, 200.669, 2
lo: mol2, SDF, SMILES, flexibase
0.32,5.36,-47.97,1,3,1, 201.677, 2

Similar to: 332841, 1672539, 2456527, 2528768, 3268204, ... 9 in total.
5394842
 
#36

Scientific Exchange (make on demand): Q-069121
AK Scientific: 6485AE
AKOS: AKOS000101209
Alinda Building Blocks: ALBB-013153
Ark Pharm Building Blocks: AK149853...19 total

ref: mol2, SDF, SMILES, flexibase
2.54,-1.94,-10.25,0,3,0, 273.163, 2
8410491
 
#37

MicroCombiChem BB Make-on-demand: 100287
ChemDB: 7118942
PubChem: 4741104
SureChEMBL: SCHEMBL3301951
AKOS (make-on-demand): AKOS003590460...5 total

ref: mol2, SDF, SMILES, flexibase
2.68,-0.32,-9.1,0,3,0, 266.772, 2

Similar to: 7277864,
869658
 
#38

eMolecules: 1358857
Molport: MolPort-001-970-335
Scientific Exchange (make on demand): R-008403
AK Scientific: 5028AD
AKOS: AKOS000301162...30 total

ref: mol2, SDF, SMILES, flexibase
2.85,0.68,-9.01,0,2,0, 251.757, 3
57571680
 
#39

MicroCombiChem BB Make-on-demand: 100293
ref: mol2, SDF, SMILES, flexibase
2.06,9.6,-16.08,0,4,0, 275.348, 5
4219103
 
#40

ChemMol: 96708188
Molport: MolPort-002-470-571
AKOS: AKOS008068347
Chembo Pharma: KB-251893
Enamine Building Blocks: EN300-22722...17 total

ref: mol2, SDF, SMILES, flexibase
1.40,6.84,-15.16,0,4,0, 233.695, 4

Similar to: 4219104, 32221330, 32221331, 32229202, 32229204, ... 13 in total.
4219104
 
#41

ChemMol: 96708188
Molport: MolPort-002-470-571
AKOS: AKOS008068347
Chembo Pharma: KB-251893
Enamine Building Blocks: EN300-22722...17 total

ref: mol2, SDF, SMILES, flexibase
1.40,6.84,-15.16,0,4,0, 233.695, 4

Similar to: 32221330, 32221331, 34522678, 37829659, 37829660, ... 11 in total.
43830403
 
#42

MicroCombiChem BB Make-on-demand: 100322
AKOS BB (make-on-demand): AKOS015957347
Alfa Chemistry (Depleted): ACM850739752
PubChem: 44203053
ref: mol2, SDF, SMILES, flexibase
3.12,8.05,-11.08,0,3,0, 307.608, 2
19229902
 
#43

eMolecules: 1358865
Scientific Exchange (make on demand): K-004147
AK Scientific: 5648AE
AKOS: AKOS004897031, AKOS000113668
Alinda Building Blocks: ALBB-019101...44 total

ref: mol2, SDF, SMILES, flexibase
1.56,5.4,-8.66,0,3,0, 252.745, 3
57572568
 
#44

MicroCombiChem BB Make-on-demand: 100328
PubChem: 22120288
SureChEMBL: SCHEMBL8192193
ref: mol2, SDF, SMILES, flexibase
0.78,6.6,-15.91,0,5,0, 276.336, 5
mid: mol2, SDF, SMILES, flexibase
0.78,8.81,-55.96,1,5,1, 277.344, 5
19735578
 
#45

ChemMol: 96700907
eMolecules: 1358847, 15208073
Molport: MolPort-002-500-641
Scientific Exchange (make on demand): K-004107
AK Scientific: V5927...70 total

ref: mol2, SDF, SMILES, flexibase
0.16,1.85,-8.87,0,3,0, 176.647, 1

Similar to: 37833788, 42462917,
70631983
 
#46

MicroCombiChem BB: MCC1595
MolMall (formerly Molecular Diversity Preservation International): 101797
MicroCombiChem BB Make-on-demand: 100338
ref: mol2, SDF, SMILES, flexibase
0.83,7.87,-20.37,0,6,0, 287.319, 4
37266468
 
#47

Apexmol Building Blocks: AM90623
Chembo Pharma: KB-21960
Fluorochem: 081161
Oakwood Chemical: 081161
MicroCombiChem BB Make-on-demand: 100347...9 total

ref: mol2, SDF, SMILES, flexibase
-0.09,3.34,-10.08,0,3,0, 191.658, 2

Similar to: 37831892,
37498040
 
#48

Molport: MolPort-016-634-624
Enamine Building Blocks: EN300-28496, EN300-55909
Molport BB: MolPort-016-634-624
Ryan Scientific BB: 000-36716, 000-38989
MicroCombiChem BB Make-on-demand: 100352...12 total

ref: mol2, SDF, SMILES, flexibase
0.28,4.03,-13.41,0,5,0, 240.694, 2

Similar to: 37832914, 37832915, 37832929,
3888899
 
#49

eMolecules: 1415064
Molport: MolPort-001-987-999
Scientific Exchange (make on demand): Q-070059
AKOS: AKOS008030999, AKOS000103493
Alinda Building Blocks: ALBB-021017...43 total

ref: mol2, SDF, SMILES, flexibase
1.87,-1.49,-10.48,0,4,0, 268.744, 3

Similar to: 5393518,
57605274
 
#50

MicroCombiChem BB Make-on-demand: 100358
ref: mol2, SDF, SMILES, flexibase
1.08,7.28,-16.59,0,6,0, 292.335, 5
24869333
 
#51

AKOS: AKOS002664724
Chemstep: 95
Zylexa Pharma BB: ZP-BB-CD019292
Innovapharm BB Make on Demand: BBV-00009092
MicroCombiChem BB Make-on-demand: 100372...10 total

ref: mol2, SDF, SMILES, flexibase
-0.47,-0.76,-11.74,1,4,0, 206.673, 3
lo: mol2, SDF, SMILES, flexibase
-0.47,1.61,-44.98,2,4,1, 207.681, 3

Similar to: 31946033, 31946076,
20268394
 
#52

eMolecules: 30518911
Molport: MolPort-005-310-737
Scientific Exchange (make on demand): Q-087617
AKOS: AKOS000266843
Enamine Building Blocks: EN300-14735...27 total

ref: mol2, SDF, SMILES, flexibase
1.45,4.23,-12.8,0,5,0, 296.754, 3
19797675
 
#53

Molport: MolPort-004-482-850
Scientific Exchange (make on demand): T-092845
American Custom Chemicals Corp.: HCH0056693, HCH0106754
Enamine Building Blocks: EN300-15130
Molport BB: MolPort-004-482-850...19 total

ref: mol2, SDF, SMILES, flexibase
2.51,6.82,-10.25,0,3,0, 278.783, 4

Similar to: 23379481, 31946082, 31961175,
20204156
 
#54

Scientific Exchange (make on demand): Q-087619
AKOS: AKOS000145726
Apexmol Building Blocks: AM87887
Chemstep: 9
Zylexa Pharma BB: ZP-BB-CD018942...13 total

ref: mol2, SDF, SMILES, flexibase
0.54,2.5,-8.71,0,3,0, 190.674, 2

Similar to: 37833788, 42462917,
15414355
 
#55

AKOS: AKOS000101231
Ark Pharm Building Blocks: AK149851
Life Chemicals Building Blocks: F2158-1323
MicroCombiChem BB Make-on-demand: 100407
AsisChem BB (Depleted): ABBL-008331...10 total

ref: mol2, SDF, SMILES, flexibase
1.89,4.55,-11.89,0,4,0, 268.744, 3

Similar to: 6274879, 6274882,
37496095
 
#56

MicroCombiChem BB Make-on-demand: 100412
PubChem: 60693091
Enamine BB Make on Demand: BBV-32040794
UORSY BB Make-on-demand: BBV-32040794
ref: mol2, SDF, SMILES, flexibase
1.59,4.05,-10.35,1,4,0, 254.717, 2
22162729
 
#57

Apexmol Building Blocks: AM87886
MicroCombiChem BB Make-on-demand: 100442
AKOS BB (make-on-demand): AKOS000136948
PubChem: 16781308
SureChEMBL: SCHEMBL5564424...7 total

ref: mol2, SDF, SMILES, flexibase
-0.70,0.97,-11.58,1,3,0, 177.631, 1
42462917
 
#58

MicroCombiChem BB Make-on-demand: 100447
PubChem: 61430432
SureChEMBL: SCHEMBL7044506
Enamine BB Make on Demand: BBV-32887186
UORSY BB Make-on-demand: BBV-32887186...5 total

ref: mol2, SDF, SMILES, flexibase
1.35,3.47,-8.19,0,3,0, 218.728, 2
mid: mol2, SDF, SMILES, flexibase
1.35,5.53,-42.53,1,3,1, 219.736, 2

Similar to: 24865953, 2599537, 3268204, 19279554, 19735578, ... 9 in total.
8436385
 
#59

MicroCombiChem BB Make-on-demand: 100452
ChemDB: 7118831
PubChem: 4741000
AKOS (make-on-demand): AKOS003590712
ref: mol2, SDF, SMILES, flexibase
3.65,8.66,-11.41,0,3,0, 314.816, 3
2570806
 
#60

eMolecules: 852138
Scientific Exchange (make on demand): K-004193
AKOS: AKOS000310677
Enamine Building Blocks: EN300-04488
Fluorochem: 027029...28 total

ref: mol2, SDF, SMILES, flexibase
0.61,3.98,-12.13,0,5,0, 234.683, 3
57545524
 
#61

MicroCombiChem BB Make-on-demand: 100473
ref: mol2, SDF, SMILES, flexibase
-0.17,5.06,-17.74,0,7,0, 258.274, 5
22164036
 
#62

Zylexa Pharma BB: ZP-BB-CD018699
MicroCombiChem BB Make-on-demand: 100482
AKOS BB (make-on-demand): AKOS000137449
PubChem: 30068780, 16781685
ChemDiv BB Make-on-demand: BB52-8918...6 total

ref: mol2, SDF, SMILES, flexibase
0.80,2.2,-12.71,1,3,0, 205.685, 3

Similar to: 22164040,
22164040
 
#63

Zylexa Pharma BB: ZP-BB-CD018699
MicroCombiChem BB Make-on-demand: 100482
AKOS BB (make-on-demand): AKOS000137449
PubChem: 30068785, 16781685
ChemDiv BB Make-on-demand: BB52-8918...6 total

ref: mol2, SDF, SMILES, flexibase
0.80,2.2,-12.74,1,3,0, 205.685, 3

Similar to: 22164036,
7986288
 
#64

Molport: MolPort-002-470-584
Enamine Building Blocks: EN300-22880
Innovapharm Building Blocks: BBS-00006941
Molport BB: MolPort-002-470-584
Ryan Scientific BB: 000-21728...12 total

ref: mol2, SDF, SMILES, flexibase
-0.23,0.97,-12.25,2,4,0, 204.657, 2

Similar to: 7986289,
7986289
 
#65

Molport: MolPort-002-470-584
Enamine Building Blocks: EN300-22880
Innovapharm Building Blocks: BBS-00006941
Molport BB: MolPort-002-470-584
Ryan Scientific BB: 000-21728...12 total

ref: mol2, SDF, SMILES, flexibase
-0.23,0.96,-12.26,2,4,0, 204.657, 2

Similar to: 7986288,
3888991
 
#66

Molport: MolPort-002-470-615
AKOS: AKOS001205195
Enamine Building Blocks: EN300-23003
Mcule: MCULE-6703584611
Ryan Scientific BB: 000-21749...13 total

ref: mol2, SDF, SMILES, flexibase
2.66,-0.42,-9.19,0,3,0, 266.772, 2

Similar to: 34551445, 41672210,
154443
 
#67

ChemMol: 1036248
eMolecules: 905735
Scientific Exchange (make on demand): Q-058425
AK Scientific: 7082AA
AKOS: AKOS000322075...50 total

ref: mol2, SDF, SMILES, flexibase
1.18,4.35,-8.57,0,2,0, 161.632, 1

Similar to: 2168412, 34959119, 36724142, 41736128, ... 4 in total.
58520383
 
#68

MicroCombiChem BB Make-on-demand: 100558
ref: mol2, SDF, SMILES, flexibase
0.40,5.42,-14.57,0,4,0, 185.223, 3

Similar to: 32269222,
8414692
 
#69

AKOS: AKOS000199072, AKOS008077324
Enamine Building Blocks: EN300-24644
Life Chemicals Building Blocks: F2158-1324
Mcule: MCULE-9691988647, MCULE-5489542953
Ryan Scientific BB: 000-25770...17 total

ref: mol2, SDF, SMILES, flexibase
2.28,5.93,-9.97,0,3,0, 252.745, 2
1561656
 
#70

ChemMol: 44027196, 97805289, 44021394
eMolecules: 20751570, 5411179
Molport: MolPort-002-505-476, MolPort-005-312-177
AKOS: AKOS000352268
Enamine Building Blocks: EN300-35787...34 total

ref: mol2, SDF, SMILES, flexibase
1.45,5.93,-49.59,1,4,0, 234.299, 4

Similar to: 43699935, 43699936, 43699984, 43699985, ... 4 in total.
376538
 
#71

eMolecules: 2441731
Molport: MolPort-001-544-349
AKOS: AKOS002675617
Alinda: IVK/9378066
ChemBridge: 7244814...23 total

ref: mol2, SDF, SMILES, flexibase
1.54,-1.77,-55.16,0,5,-1, 275.328, 5

Similar to: 5073738, 37827488, 37830874,
49861344
 
#72

MicroCombiChem BB Make-on-demand: 100021
ref: mol2, SDF, SMILES, flexibase
1.70,8.61,-46.89,1,4,0, 270.279, 4
hi: mol2, SDF, SMILES, flexibase
1.70,6.4,-45.64,0,4,-1, 269.271, 4
19735682
 
#73

eMolecules: 833823, 22749283
Molport: MolPort-000-870-647
AK Scientific: 7985AC
AKOS: AKOS000270466, AKOS015845546
Ark Pharm Building Blocks: AK-56043...59 total

ref: mol2, SDF, SMILES, flexibase
0.55,5.41,-50.12,1,5,0, 235.287, 4
hi: mol2, SDF, SMILES, flexibase
0.55,3.03,-47.42,0,5,-1, 234.279, 4

Similar to: 43699952, 43699953, 4512994,
1612545
 
#74

eMolecules: 748926
Molport: MolPort-005-310-739, MolPort-000-870-979
AKOS: AKOS000118265
Asinex: BAS08749525
Chembo Pharma: KB-229338...35 total

ref: mol2, SDF, SMILES, flexibase
0.96,4.86,-39.26,1,4,1, 240.714, 2
152847
 
#75

eMolecules: 5832211
Molport: MolPort-002-901-387
Alinda Building Blocks: ALBB-015522
ChemDiv BuildingBlocks: BB55-8496
Fluorochem: 370581...29 total

ref: mol2, SDF, SMILES, flexibase
0.65,-2.13,-74.9,1,6,0, 277.324, 5

Similar to: 37831080,
2456654
 
#76

eMolecules: 5412659
AKOS: AKOS000276258
Chembo Pharma: KB-233035, KB-123723
Enamine: Z53116608
Enamine Building Blocks: EN300-74519...26 total

ref: mol2, SDF, SMILES, flexibase
-0.89,3.79,-55.93,1,5,0, 200.238, 3
2456520
 
#77

Innovapharm BB Make on Demand: BBV-00008047
MicroCombiChem BB Make-on-demand: 100039
ChemDB: 4257585
PubChem: 2050518
SureChEMBL: SCHEMBL6493498...9 total

ref: mol2, SDF, SMILES, flexibase
-0.79,3.84,-61.05,0,6,-1, 241.267, 4

Similar to: 34937255, 37796462, 37796463, 37832656, 37833683, ... 9 in total.
57550407
 
#78

MicroCombiChem BB Make-on-demand: 100061
ref: mol2, SDF, SMILES, flexibase
1.86,8.85,-45.76,1,4,0, 263.337, 5
hi: mol2, SDF, SMILES, flexibase
1.86,6.6,-45.46,0,4,-1, 262.329, 5
35687335
 
#79

MicroCombiChem BB Make-on-demand: 100066
PubChem: 43522494, 53528565
Ambinter: Amb19435813
ref: mol2, SDF, SMILES, flexibase
-0.14,5.39,-47.86,1,5,0, 249.314, 5
hi: mol2, SDF, SMILES, flexibase
-0.14,3.12,-45.48,0,5,-1, 248.306, 5

Similar to: 43700096, 43700097, 43700182, 43700183, ... 4 in total.
37827754
 
#80

MicroCombiChem BB Make-on-demand: 100069
PubChem: 60952491
Enamine BB Make on Demand: BBV-32165853
UORSY BB Make-on-demand: BBV-32165853
ref: mol2, SDF, SMILES, flexibase
-0.04,5.38,-55.82,0,6,-1, 290.343, 6
mid: mol2, SDF, SMILES, flexibase
-0.04,7.6,-86.8,1,6,0, 291.351, 6

Similar to: 41396002, 44868562, 57290969, 57290988, 57291293, ... 8 in total.
34775260
 
#81

MicroCombiChem BB Make-on-demand: 100071
PubChem: 15941058
SureChEMBL: SCHEMBL85225
ref: mol2, SDF, SMILES, flexibase
1.89,8.92,-52.15,1,5,0, 274.32, 4
hi: mol2, SDF, SMILES, flexibase
1.89,6.68,-49.16,0,5,-1, 273.312, 4
58031041
 
#82

MicroCombiChem BB Make-on-demand: 100086
ref: mol2, SDF, SMILES, flexibase
1.45,8.27,-53.55,2,5,0, 273.336, 4
hi: mol2, SDF, SMILES, flexibase
1.45,6.03,-47.65,1,5,-1, 272.328, 4
lo: mol2, SDF, SMILES, flexibase
1.45,8.75,-90.47,3,5,1, 274.344, 4
36047773
 
#83

eMolecules: 29918942
Molport: MolPort-008-344-113
IBScreen: STOCK6S-87500
IBScreen BuildingBlocks: BB_SC-08002
Mcule: MCULE-2469244673...16 total

ref: mol2, SDF, SMILES, flexibase
1.55,8.2,-57.24,1,6,-1, 314.365, 5
35124601
 
#84

MicroCombiChem BB Make-on-demand: 100096
PubChem: 43396804
Enamine BB Make on Demand: BBV-25034813
UORSY BB Make-on-demand: BBV-25034813
ref: mol2, SDF, SMILES, flexibase
-0.50,5.26,-48.71,1,6,0, 269.345, 5
hi: mol2, SDF, SMILES, flexibase
-0.50,2.97,-50.89,0,6,-1, 268.337, 5

Similar to: 37855528,
2577007
 
#85

ChemMol: 42303115
eMolecules: 2791346, 43295281
Molport: MolPort-023-134-940
AK Scientific: 8168AD
AKOS: AKOS005739145...44 total

ref: mol2, SDF, SMILES, flexibase
0.79,0.73,-53.38,1,6,0, 258.318, 5

Similar to: 34928595, 39952119, 44239200,
11866587
 
#86

eMolecules: 10837208
Molport: MolPort-004-858-514
AKOS: AKOS005534438
ChemBridge: 9200962
IBScreen: STOCK6S-64695...14 total

ref: mol2, SDF, SMILES, flexibase
0.88,0.27,-57.05,0,7,-1, 299.347, 6
4943280
 
#87

eMolecules: 5411125
AKOS: AKOS000301996
Asinex: ASN13259340
Asinex Building Blocks: BAS13259340
IBScreen: STOCK7S-32758...28 total

ref: mol2, SDF, SMILES, flexibase
1.50,-1.28,-51.93,1,5,0, 264.325, 5

Similar to: 3384233,
2457434
 
#88

eMolecules: 2325640
Molport: MolPort-002-129-236
AKOS: AKOS003315804
Alinda: IVK/0018119
ChemBridge: 9049715...16 total

ref: mol2, SDF, SMILES, flexibase
1.60,-1.77,-56.3,0,6,-1, 305.354, 6

Similar to: 4454929, 4527166, 4793868, 4881076, 37827488, ... 6 in total.
390710
 
#89

AKOS: AKOS000301623
Aldrich CPR: R980404|ALDRICH
Asinex: ASN13259336
Asinex Building Blocks: BAS13259336
Matrix Scientific: 026697...23 total

ref: mol2, SDF, SMILES, flexibase
2.10,-1.43,-51.16,1,4,0, 268.744, 4

Similar to: 43699961, 43699963,
204784
 
#90

eMolecules: 2203158
Molport: MolPort-001-502-073
AKOS: AKOS003268581
Alinda: IVK/8068319
Alinda Building Blocks: ALBB-015734...36 total

ref: mol2, SDF, SMILES, flexibase
2.20,8.52,-54.33,0,5,-1, 309.773, 5

Similar to: 5740757,
19832743
 
#91

eMolecules: 5410871
Molport: MolPort-002-505-331
AKOS: AKOS003591262
IBScreen: STOCK7S-20743
IBScreen BuildingBlocks: BB_SC-10179...16 total

ref: mol2, SDF, SMILES, flexibase
2.93,10.41,-49.64,1,4,0, 324.424, 6
hi: mol2, SDF, SMILES, flexibase
2.93,8.07,-45.9,0,4,-1, 323.416, 6
19792330
 
#92

eMolecules: 2389609
Scientific Exchange (make on demand): T-093407
AKOS: AKOS001690590, AKOS005627091
Alinda: IVK/8087674
ChemBridge: 6130266...35 total

ref: mol2, SDF, SMILES, flexibase
3.02,11.15,-53.55,0,5,-1, 365.453, 7

Similar to: 34647522, 4179308,
11799941
 
#93

eMolecules: 36504037
Molport: MolPort-003-780-177
Scientific Exchange Building Blocks: F-396413
IBScreen: STOCK7S-23253
IBScreen BuildingBlocks: BB_SC-10181...16 total

ref: mol2, SDF, SMILES, flexibase
0.16,5.55,-50.82,1,6,0, 236.275, 4

Similar to: 43699956, 43699957,
157229
 
#94

eMolecules: 1112173
AKOS: AKOS002731604
Alinda: IVK/0022438
ChemBridge: 9054171
Maybridge: HTS10166...24 total

ref: mol2, SDF, SMILES, flexibase
0.26,8.28,-56.25,0,7,-1, 277.304, 5

Similar to: 37831833,
34746270
 
#95

Molport: MolPort-020-114-137
MicroCombiChem BB Make-on-demand: 100191
PubChem: 53531677, 15818950, 21462658
SureChEMBL: SCHEMBL8837987
Ambinter: Amb19435802...9 total

ref: mol2, SDF, SMILES, flexibase
0.16,6.75,-85.89,2,5,1, 236.295, 4
mid: mol2, SDF, SMILES, flexibase
0.16,4.52,-62.77,1,5,0, 235.287, 4
54186702
 
#96

MicroCombiChem BB Make-on-demand: 100201
PubChem: 58576328, 66691739
SureChEMBL: SCHEMBL12041888, SCHEMBL9983742, SCHEMBL457489
Enamine BB Make on Demand: BBV-34748059
UORSY BB Make-on-demand: BBV-34748059...8 total

ref: mol2, SDF, SMILES, flexibase
2.34,9.03,-50.62,1,4,0, 302.296, 5
hi: mol2, SDF, SMILES, flexibase
2.34,6.82,-43.64,0,4,-1, 301.288, 5
34670100
 
#97

MicroCombiChem BB Make-on-demand: 100206
PubChem: 22337276
SureChEMBL: SCHEMBL5010735
ref: mol2, SDF, SMILES, flexibase
1.35,8.44,-54.36,1,5,0, 276.336, 5
hi: mol2, SDF, SMILES, flexibase
1.35,6.23,-47.89,0,5,-1, 275.328, 5

Similar to: 46437781,
35122404
 
#98

Molport BB: MolPort-011-014-839
MicroCombiChem BB Make-on-demand: 100211
PubChem: 43396136
Enamine BB Make on Demand: BBV-25033147
UORSY BB Make-on-demand: BBV-25033147...5 total

ref: mol2, SDF, SMILES, flexibase
0.04,5.96,-52,1,6,0, 252.27, 4
mid: mol2, SDF, SMILES, flexibase
0.04,3.74,-48.16,0,6,-1, 251.262, 4
6727104
 
#99

eMolecules: 2325578
Molport: MolPort-002-129-205
AKOS: AKOS003316511
Alinda: IVK/0017704
ChemBridge: 9049289...16 total

ref: mol2, SDF, SMILES, flexibase
0.14,4.97,-59.59,0,7,-1, 293.299, 5

Similar to: 37828127, 37828134,
1561664
 
#100

Molport: MolPort-002-505-453
Molport BB: MolPort-002-505-453
NCI Plated 2007: 87120
PBMR Labs Building Blocks: RBK_029239
MicroCombiChem BB Make-on-demand: 100216...11 total

ref: mol2, SDF, SMILES, flexibase
1.85,7.31,-48.7,1,4,0, 248.326, 4

Similar to: 43699959, 43699960,

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 = 499 ) limit 0,100

Smiles were