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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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39953840
 
#1

KaironKem: K654
Otava (Virtual): 6443111
Infarmatik (Depleted): EL-0176
PubChem: 45074587
ref: mol2, SDF, SMILES, flexibase
0.22,2.01,-9.54,1,4,0, 153.185, 1
39410546
 
#2

KaironKem: K894
PubChem: 13161805, 59319619
SureChEMBL: SCHEMBL13324127, SCHEMBL2053373
ref: mol2, SDF, SMILES, flexibase
-0.54,1.19,-9.94,0,5,0, 189.24, 2
lo: mol2, SDF, SMILES, flexibase
-0.54,1.71,-35.6,1,5,1, 190.248, 2
83859674
 
#3

KaironKem: K958
ref: mol2, SDF, SMILES, flexibase
5.08,7.91,-6.86,0,5,0, 342.66, 3
8100893
 
#4

eMolecules: 44689767
Molport: MolPort-027-835-518
Ark Pharm Building Blocks: AK111010
BePharm Building Blocks: B111365
Chembo Pharma: KB-46849...18 total

ref: mol2, SDF, SMILES, flexibase
-0.19,3.22,-11,2,4,0, 152.182, 0
mid: mol2, SDF, SMILES, flexibase
0.54,2.81,-31.19,2,4,1, 153.19, 0
83859673
 
#5

KaironKem: K954
ref: mol2, SDF, SMILES, flexibase
4.41,7.69,-7.21,1,1,0, 278.804, 5
83859672
 
#6

KaironKem: K1054
ref: mol2, SDF, SMILES, flexibase
9.06,16.4,-4.46,0,2,0, 512.326, 15
39207825
 
#7

Chemstep: 13312
KaironKem: K337
BOC Sciences BB (Depleted): 1792-42-3
Debye Scientific BB (Depleted): DB-065264
PubChem: 59114626...6 total

ref: mol2, SDF, SMILES, flexibase
2.68,6.28,-9.21,1,2,0, 182.226, 0
lo: mol2, SDF, SMILES, flexibase
2.68,6.72,-29.38,2,2,1, 183.234, 0
5615360
 
#8

Chembo Pharma: KB-12437
KaironKem: K336
Mcule: MCULE-3222998032
NCI Plated 2007: 14306
Pharmeks: PHAR103404...28 total

ref: mol2, SDF, SMILES, flexibase
2.59,6.48,-10.42,1,2,0, 168.199, 0
lo: mol2, SDF, SMILES, flexibase
2.59,6.94,-35.1,2,2,1, 169.207, 0
lo: mol2, SDF, SMILES, flexibase
2.59,6.91,-35.39,2,2,1, 169.207, 0
83859670
 
#9

KaironKem: K942
ref: mol2, SDF, SMILES, flexibase
2.90,6.51,-3.88,0,2,0, 228.339, 2
83859668
 
#10

KaironKem: K943
SureChEMBL: SCHEMBL3218743, SCHEMBL2285725
ref: mol2, SDF, SMILES, flexibase
1.20,4.25,-32.4,1,2,1, 167.276, 1
mid: mol2, SDF, SMILES, flexibase
1.20,1.88,-2.6,0,2,0, 166.268, 1
10342264
 
#11

ChemMol: 97805672, 44021904
eMolecules: 875229
Molport: MolPort-016-580-514, MolPort-000-882-723
Scientific Exchange (make on demand): F-405517
Acorn PharmaTech: ACN-P001161...41 total

ref: mol2, SDF, SMILES, flexibase
-0.40,-1.7,-9.01,3,4,0, 125.131, 1
ref: mol2, SDF, SMILES, flexibase
-0.40,-1.66,-8.89,3,4,0, 125.131, 1

Similar to: 33845297,
83859667
 
#12

KaironKem: K970
PubChem: 12170404
ref: mol2, SDF, SMILES, flexibase
1.09,3.13,-31.61,3,3,1, 188.291, 3
83859665
 
#13

KaironKem: K970
PubChem: 12170404
ref: mol2, SDF, SMILES, flexibase
1.09,3.02,-32.39,3,3,1, 188.291, 3
83859664
 
#14

KaironKem: K969
PubChem: 11229220
ref: mol2, SDF, SMILES, flexibase
1.41,3.29,-33.02,3,3,1, 188.291, 4
83859663
 
#15

KaironKem: K969
PubChem: 11229220, 11309972
ref: mol2, SDF, SMILES, flexibase
1.41,3.28,-32.99,3,3,1, 188.291, 4
83859661
 
#16

KaironKem: K968
ref: mol2, SDF, SMILES, flexibase
0.85,2.53,-32.11,3,3,1, 174.264, 3
83859660
 
#17

KaironKem: K968
ref: mol2, SDF, SMILES, flexibase
0.85,2.52,-32.12,3,3,1, 174.264, 3
83859658
 
#18

KaironKem: K1036
PubChem: 15184154
SureChEMBL: SCHEMBL8709524
ref: mol2, SDF, SMILES, flexibase
2.29,6.64,-4.8,0,2,0, 180.247, 2
83859657
 
#19

Chembo Pharma: KB-87928
KaironKem: K74
Tetrahedron Building Blocks: TS62147
Debye Scientific BB (Depleted): DB-078425
PubChem: 12119306...6 total

ref: mol2, SDF, SMILES, flexibase
1.15,1.9,-109.1,0,6,-2, 243.24, 4
lo: mol2, SDF, SMILES, flexibase
1.15,1.74,-56.81,1,6,-1, 244.248, 4
20981526
 
#20

Aldrich CPR: CDS008275|ALDRICH
Alfa-Aesar: H35474
Anward: ANW-50275
Ark Pharm Building Blocks: AK-26680
BePharm Building Blocks: B104285...16 total

ref: mol2, SDF, SMILES, flexibase
1.47,2.04,-39.94,0,3,-1, 145.141, 0
mid: mol2, SDF, SMILES, flexibase
1.47,1.19,-8.97,1,3,0, 146.149, 0

Similar to: 39134305, 39134315, 39248924,
12478436
 
#21

KaironKem: K17
Labotest: LT00439785
Tetrahedron Building Blocks: TS46073
TimTec: ST51005772
Apollo Scientific (Depleted): OR11272...10 total

ref: mol2, SDF, SMILES, flexibase
1.37,1.79,-6.03,1,4,0, 176.175, 2
mid: mol2, SDF, SMILES, flexibase
1.37,2.81,-38.31,0,4,-1, 175.167, 2
mid: mol2, SDF, SMILES, flexibase
1.37,2.78,-43.97,0,4,-1, 175.167, 2
83859654
 
#22

KaironKem: K944
ref: mol2, SDF, SMILES, flexibase
2.75,6.99,-8.28,0,3,0, 271.339, 2
20653599
 
#23

eMolecules: 2537165
Molport: MolPort-002-305-516
Chembo Pharma: KB-242064
ChemBridge: 9014676
ChemDiv BuildingBlocks: BB01-3178...8 total

39140933
 
#24

eMolecules: 3724933
Molport: MolPort-001-760-762
Enamine: Z139573692
Enamine Building Blocks: EN300-71750
Exclusive Chemistry: EC-000.1284...9 total

ref: mol2, SDF, SMILES, flexibase
0.89,1.72,-37.64,2,2,1, 143.254, 3
mid: mol2, SDF, SMILES, flexibase
0.89,4.05,-101.5,3,2,2, 144.262, 3
hi: mol2, SDF, SMILES, flexibase
0.89,2.67,-29.44,2,2,1, 143.254, 3

Similar to: 39321249, 37081764, 37081765, 22073394, ... 4 in total.
39140931
 
#25

eMolecules: 3724933
Molport: MolPort-001-760-762
Enamine: Z139573692
Enamine Building Blocks: EN300-71750
Exclusive Chemistry: EC-000.1284...9 total

ref: mol2, SDF, SMILES, flexibase
0.89,2.92,-33.26,2,2,1, 143.254, 3
mid: mol2, SDF, SMILES, flexibase
0.89,4.71,-104.99,3,2,2, 144.262, 3
hi: mol2, SDF, SMILES, flexibase
0.89,3.37,-26.14,2,2,1, 143.254, 3

Similar to: 39321249, 37081764, 37081765, 22073394, ... 4 in total.
19369225
 
#26

eMolecules: 1967800
Aldrich CPR: CDS008259|ALDRICH
Anward: ANW-58395
Ark Pharm Building Blocks: AK-81737
BePharm Building Blocks: B58307...20 total

ref: mol2, SDF, SMILES, flexibase
-0.02,2.49,-106.56,4,2,2, 130.235, 1
mid: mol2, SDF, SMILES, flexibase
-0.02,2.17,-31.69,3,2,1, 129.227, 1
mid: mol2, SDF, SMILES, flexibase
-0.02,0.15,-42.15,3,2,1, 129.227, 1

Similar to: 31993073, 31993089, 31993114, 31994362, ... 4 in total.
39953849
 
#27

eMolecules: 33046490
Molport: MolPort-010-705-099
KaironKem: K652
Mcule: MCULE-8164428028
Otava (Virtual): 6479102...6 total

ref: mol2, SDF, SMILES, flexibase
0.35,0.67,-8.18,2,4,0, 153.185, 2

Similar to: 38857479,
164927
 
#28

Anward: ANW-54448
Ark Pharm Building Blocks: AK-87042
BePharm Building Blocks: B22802
Bosche Scientific: E12808
Chembo Pharma: KB-23716...17 total

ref: mol2, SDF, SMILES, flexibase
0.62,2.19,-9.48,1,3,0, 124.143, 2
mid: mol2, SDF, SMILES, flexibase
0.62,2.66,-36.43,2,3,1, 125.151, 2

Similar to: 38220178, 39236940, 39236942,
83859652
 
#29

KaironKem: K1035
ref: mol2, SDF, SMILES, flexibase
2.67,7.57,-4.67,0,2,0, 194.274, 3
3851823
 
#30

ChemMol: 30110545, 44013214, 1031105, 97800877
eMolecules: 521147
Scientific Exchange (make on demand): F-405503
ACB Blocks: MIX-0748
Acorn PharmaTech: ACN-P000912...108 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.13,-8.28,1,4,0, 154.169, 3
ref: mol2, SDF, SMILES, flexibase
0.99,3.13,-5.36,1,4,0, 154.169, 3

Similar to: 5919814, 33845724, 39134095,
22009318
 
#31

BOC Sciences BB: 194602-23-8
Chembo Pharma: KB-83439
Fragmenta: BEN245
KaironKem: K462
ChEBI: CHEBI:59007...6 total

ref: mol2, SDF, SMILES, flexibase
1.50,5.06,-85.02,1,7,0, 328.39, 5
mid: mol2, SDF, SMILES, flexibase
1.50,2.65,-60.59,0,7,-1, 327.382, 5

Similar to: 34433310, 36746365, 36780559, 37079781, 37080876, ... 8 in total.
83859650
 
#32

KaironKem: K1420
PubChem: 69798840
SureChEMBL: SCHEMBL6490246
ref: mol2, SDF, SMILES, flexibase
1.91,4.91,-81.34,2,7,0, 342.417, 5
mid: mol2, SDF, SMILES, flexibase
1.91,3.83,-58.64,1,7,-1, 341.409, 5
83859649
 
#33

KaironKem: K1420
PubChem: 69798840
SureChEMBL: SCHEMBL6490246
ref: mol2, SDF, SMILES, flexibase
1.91,4.92,-82.32,2,7,0, 342.417, 5
mid: mol2, SDF, SMILES, flexibase
1.91,3.83,-58.01,1,7,-1, 341.409, 5
34433310
 
#34

KaironKem: K1420
PubChem: 11267877, 69798840
SureChEMBL: SCHEMBL6490243
ref: mol2, SDF, SMILES, flexibase
1.91,4.98,-81.17,2,7,0, 342.417, 5
mid: mol2, SDF, SMILES, flexibase
1.91,3.79,-58.13,1,7,-1, 341.409, 5

Similar to: 22009318,
38857479
 
#35

KaironKem: K648
Otava (Virtual): 6430977
Infarmatik (Depleted): EL-0175
PubChem: 12109023
ref: mol2, SDF, SMILES, flexibase
-0.03,-0.2,-9.32,2,4,0, 139.158, 1

Similar to: 39953849,
83859647
 
#36

KaironKem: K1023
SureChEMBL: SCHEMBL14696219
Enamine BB Make on Demand: BBV-42838844
ref: mol2, SDF, SMILES, flexibase
3.01,5.25,-2.1,1,1,0, 208.345, 2
83859645
 
#37

KaironKem: K974
PubChem: 12008585
SureChEMBL: SCHEMBL9139518
ref: mol2, SDF, SMILES, flexibase
2.55,7.3,-12.28,0,4,0, 205.213, 1
83859644
 
#38

KaironKem: K962
PubChem: 10942771
SureChEMBL: SCHEMBL1745011
Enamine BB Make on Demand: BBV-46767740
ref: mol2, SDF, SMILES, flexibase
2.28,4.35,-3.4,1,1,0, 162.232, 0
38350291
 
#39

KaironKem: K962
PubChem: 10942771, 11194506
SureChEMBL: SCHEMBL1745011, SCHEMBL14429883
Enamine BB Make on Demand: BBV-46767740
ref: mol2, SDF, SMILES, flexibase
2.28,4.35,-3.41,1,1,0, 162.232, 0
83859643
 
#40

KaironKem: K856
SureChEMBL: SCHEMBL5610531
ref: mol2, SDF, SMILES, flexibase
2.55,4.72,-7.24,1,3,0, 236.311, 4
83859641
 
#41

KaironKem: K856
SureChEMBL: SCHEMBL5610531
ref: mol2, SDF, SMILES, flexibase
2.55,4.76,-7.24,1,3,0, 236.311, 4
83859639
 
#42

KaironKem: K956
ref: mol2, SDF, SMILES, flexibase
4.19,6.9,-7.63,0,5,0, 274.663, 2
83859638
 
#43

KaironKem: K955
ref: mol2, SDF, SMILES, flexibase
4.35,6.96,-6.59,0,5,0, 292.653, 2
83859637
 
#44

KaironKem: K980
SureChEMBL: SCHEMBL8270456
Enamine BB Make on Demand: BBV-44250301
UORSY BB Make-on-demand: BBV-44250301
ref: mol2, SDF, SMILES, flexibase
2.37,3.73,-40.64,3,4,1, 231.36, 7
83859636
 
#45

KaironKem: K1401
PubChem: 54552536
SureChEMBL: SCHEMBL6269762
ref: mol2, SDF, SMILES, flexibase
2.81,8.03,-11.89,0,5,0, 305.353, 3
83859634
 
#46

KaironKem: K946
SureChEMBL: SCHEMBL4382780
ref: mol2, SDF, SMILES, flexibase
2.24,5.17,-6.24,0,4,0, 252.358, 3
83859633
 
#47

KaironKem: K1415
ref: mol2, SDF, SMILES, flexibase
2.53,6.73,-59.25,0,9,-1, 413.472, 7
83859632
 
#48

KaironKem: K957
ref: mol2, SDF, SMILES, flexibase
4.95,8.32,-8.11,0,5,0, 353.559, 2
83859630
 
#49

KaironKem: K986
ref: mol2, SDF, SMILES, flexibase
2.04,5.38,-11.73,1,5,0, 295.039, 2
18102838
 
#50

Ark Pharm Building Blocks: AK-24583
BioSynth: W-203443
Bosche Scientific: A18140
Chembo Pharma: KB-19680
Chemstep: 14711...22 total

ref: mol2, SDF, SMILES, flexibase
-0.37,0.57,-18.64,3,5,0, 150.141, 0
mid: mol2, SDF, SMILES, flexibase
0.26,-0.66,-48.61,3,5,-1, 149.133, 0
mid: mol2, SDF, SMILES, flexibase
-0.20,0.57,-12.36,4,5,0, 150.141, 0
lo: mol2, SDF, SMILES, flexibase
-0.37,1,-41.3,4,5,1, 151.149, 0

Similar to: 38221099,
1679385
 
#51

KaironKem: K176
NCI Plated 2007: 47655
ChemDB: 5011867
Debye Scientific BB (Depleted): DB-073754
PubChem: 240861...7 total

ref: mol2, SDF, SMILES, flexibase
4.51,3.96,-57.84,0,3,-1, 281.209, 4
4416631
 
#52

ChemMol: 1037060
Aldrich CPR: R468428|ALDRICH
Apollo Scientific: PC6497
Ark Pharm Building Blocks: AK135973
Aromalake BB: LS10542...22 total

ref: mol2, SDF, SMILES, flexibase
1.66,3.47,-3.91,2,4,0, 192.096, 1

Similar to: 5510640, 4348058,
5291871
 
#53

Chembo Pharma: KB-67188
J&K Chemical: A01287623
KaironKem: K1137
Sigma Aldrich (Building Blocks): 670790|ALDRICH
Tetrahedron Building Blocks: TS74683...7 total

ref: mol2, SDF, SMILES, flexibase
1.01,1.23,-12.87,0,10,0, 301.255, 7

Similar to: 6761554, 38277562,
19682468
 
#54

Ark Pharm Building Blocks: AK164902
Fluorochem: 097055
KaironKem: K1404
PKChem Building Blocks: PKCBB_01668
AsisChem BB (Depleted): PKB-01668...58 total

ref: mol2, SDF, SMILES, flexibase
2.53,4.04,-40.64,3,1,1, 150.245, 1
13516868
 
#55

eMolecules: 28203181
Molport: MolPort-020-016-004
AK Scientific: W8089, W3871
AKOS: AKOS015919979
Aldrich CPR: CDS015433|ALDRICH...50 total

ref: mol2, SDF, SMILES, flexibase
2.01,5.12,-38.67,2,1,1, 148.229, 0

Similar to: 21803509, 39255910,
39953813
 
#56

ChemMol: 44500019, 44032477, 44001258
Molport: MolPort-027-640-498
AK Scientific: Z1680
Anward: ANW-54848
Apexmol Building Blocks: AM20061436...22 total

ref: mol2, SDF, SMILES, flexibase
0.37,1.39,-58.41,3,3,1, 151.189, 0
mid: mol2, SDF, SMILES, flexibase
0.37,0.02,-9.66,2,3,0, 150.181, 0

Similar to: 43404619, 43404625, 43404640, 43404656, ... 5 in total.
33362829
 
#57

Molport: MolPort-019-878-005
AK Scientific: AG1025
American Custom Chemicals Corp.: CRB0000127
Capot Chemical: 14504
Combi-Blocks: QA-8533...15 total

ref: mol2, SDF, SMILES, flexibase
1.07,3.11,-16.99,0,12,0, 373.318, 10
2557094
 
#58

ChemMol: 51500559, 44022281
eMolecules: 887639
Scientific Exchange (make on demand): F-441464
AK Scientific: 1901AB
AKOS: AKOS000151754...52 total

ref: mol2, SDF, SMILES, flexibase
0.09,3.52,-92.48,4,2,2, 144.262, 4

Similar to: 39259242,
391898
 
#59

ChemMol: 97800222, 30104486, 44004030, 44010753, 83603306, 2000453, 96707572, 97602629, 30200463
eMolecules: 2858743
Molport: MolPort-002-465-320
A&J Pharmtech: AJ-00389
Acros Organics: 30299...205 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-1.48,-36.33,4,3,1, 115.156, 1
hi: mol2, SDF, SMILES, flexibase
1.88,3.13,-11.09,2,6,0, 340.36, 3

Similar to: 6488375, 34594854, 34594855, 34594856, 34594857, ... 5 in total.
391899
 
#60

ChemMol: 2000443, 30202641, 96707889, 44011518, 97602775
eMolecules: 2858743
Molport: MolPort-002-465-320
ACT Chemical BB: ACT05031
AK Scientific: X4031...155 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-1.46,-36.57,4,3,1, 115.156, 1
hi: mol2, SDF, SMILES, flexibase
2.63,8.06,-6.21,0,2,0, 284.1, 1

Similar to: 6488375, 34594854, 34594855, 34594856, 34594857, ... 5 in total.
159033
 
#61

eMolecules: 501801
ACB Blocks: PYR-0424
AK Scientific: 7563AD
AKOS: AKOS000103580
Alfa-Aesar: H51073...68 total

ref: mol2, SDF, SMILES, flexibase
2.11,1.96,-47.66,0,3,-1, 186.19, 2

Similar to: 34430370,
1494997
 
#62

ChemMol: 42306857, 44009140, 1033280, 1203247, 30109631, 97801607, 44029153
eMolecules: 724481
Molport: MolPort-000-006-276
A&J Pharmtech: AJ-00888
Acorn PharmaTech: ACN-S004119...92 total

ref: mol2, SDF, SMILES, flexibase
-0.60,2.16,-41.13,0,4,-1, 123.091, 1
53775
 
#63

eMolecules: 1073995
AKOS: AKOS000597643
Aldrich CPR: S720739|ALDRICH
Asinex: BAS01126669
Chembo Pharma: KB-105453...23 total

ref: mol2, SDF, SMILES, flexibase
1.28,4.96,-63.65,1,5,-1, 241.226, 3
lo: mol2, SDF, SMILES, flexibase
1.28,5.25,-76.49,2,5,0, 242.234, 3

Similar to: 37789153, 37793367, 37793896,
32141
 
#64

eMolecules: 1107011
Scientific Exchange (make on demand): POD_96/0092
AKOS: AKOS000520218
Aldrich CPR: S704776|ALDRICH
Asinex: BAS01099234...26 total

ref: mol2, SDF, SMILES, flexibase
1.45,7.38,-68.98,1,5,-1, 241.226, 3

Similar to: 39383489,
1512611
 
#65

Chembo Pharma: KB-86836
KaironKem: K573
Innovapharm Make-on-Demand: VT-00208277
Alfa Chemistry (Depleted): ACM69537504
ChemDB: 5645845...12 total

ref: mol2, SDF, SMILES, flexibase
1.06,4.93,-61.35,1,5,-1, 241.226, 3
lo: mol2, SDF, SMILES, flexibase
1.06,5.2,-68.32,2,5,0, 242.234, 3
2913599
 
#66

eMolecules: 1186955, 31249879
Molport: MolPort-001-922-034, MolPort-016-587-263
AKOS: AKOS000506274
Alfa-Aesar: H33646
Asinex: BAS00294099...34 total

ref: mol2, SDF, SMILES, flexibase
2.82,7.66,-44.21,0,3,-1, 207.249, 6

Similar to: 5820373, 34475882, 36193816, 36194065, 39953837, ... 5 in total.
391904
 
#67

ChemMol: 97800223, 30202652, 1030627, 44002812, 30102692
eMolecules: 486536, 710089
Molport: MolPort-016-580-528, MolPort-001-769-341, MolPort-000-006-025
ACB Blocks: C5A-0373
Acros Organics: 41832...156 total

ref: mol2, SDF, SMILES, flexibase
-0.14,-0.9,-31.8,3,2,1, 102.157, 1
391905
 
#68

ChemMol: 1030628, 30202653, 1202829, 30116366, 44027527
eMolecules: 710089
Molport: MolPort-000-006-025, MolPort-016-580-529
ACB Blocks: C5A-0373
Acros Organics: 41831...153 total

ref: mol2, SDF, SMILES, flexibase
-0.14,-0.93,-31.71,3,2,1, 102.157, 1
161414
 
#69

ChemMol: 1203567, 97801265, 96707913, 30114429, 2000511, 1036154, 44002483
eMolecules: 515134
Molport: MolPort-000-004-002
Acros Organics: 38063
ACT Chemical BB: ACT02060...98 total

ref: mol2, SDF, SMILES, flexibase
-0.11,-0.23,-37.89,3,2,1, 116.184, 1

Similar to: 33799584,
388340
 
#70

ChemMol: 1036155, 96707554, 96712483, 30114427, 44006572
eMolecules: 43677785, 483659
Molport: MolPort-019-879-036
Scientific Exchange (make on demand): F-033590
ACB Blocks: C6A-0347...112 total

ref: mol2, SDF, SMILES, flexibase
0.36,-0.09,-31.46,3,2,1, 116.184, 1

Similar to: 33798841, 33798842, 33798843, 33798844, 33799346, ... 13 in total.
388341
 
#71

ChemMol: 1036155, 30114427, 44006572, 96707554, 96712482
eMolecules: 483659
Scientific Exchange (make on demand): F-033590
ACB Blocks: C6A-0347
Acorn PharmaTech: ACN-S003502...108 total

ref: mol2, SDF, SMILES, flexibase
0.36,-0.1,-31.48,3,2,1, 116.184, 1

Similar to: 33798841, 33798842, 33798843, 33798844, 33799346, ... 13 in total.
22014984
 
#72

ChemMol: 96709372, 2000976
AK Scientific: 5021AC
Ark Pharm Building Blocks: AK112057
Bosche Scientific: P15968
Chembo Pharma: KB-205273...16 total

ref: mol2, SDF, SMILES, flexibase
2.91,2.09,-46.56,3,5,1, 270.397, 4

Similar to: 34436265, 34461066, 39952015, 39952032, 39952033, ... 5 in total.
22014981
 
#73

ChemMol: 96709372, 2000976
AK Scientific: 5021AC
Ark Pharm Building Blocks: AK112057
Bosche Scientific: P15968
Chembo Pharma: KB-205273...16 total

ref: mol2, SDF, SMILES, flexibase
2.91,2.03,-46.83,3,5,1, 270.397, 4

Similar to: 34436265, 34461066, 39952015, 39952032, 39952033, ... 5 in total.
20397630
 
#74

ChemMol: 97300195, 44032379, 96709388, 2000706
Acorn PharmaTech: ACN-S001789
AK Scientific: W4312
Aldrich CPR: CDS019467|ALDRICH
Anward: ANW-49283...35 total

ref: mol2, SDF, SMILES, flexibase
1.09,3.68,-45.44,2,5,1, 270.397, 3
mid: mol2, SDF, SMILES, flexibase
1.09,4.47,-42.15,2,5,1, 270.397, 3
mid: mol2, SDF, SMILES, flexibase
1.09,2.25,-5.14,1,5,0, 269.389, 3

Similar to: 37038944, 37038945, 39952015, 44239602, 44239605, ... 5 in total.
4202261
 
#75

ChemMol: 2000113, 1203558, 96708173, 30116800, 44028114, 44017162, 97300494
Molport: MolPort-000-001-461
ACT Chemical BB: ACT07521
AK Scientific: X9144, W3600
Aldrich CPR: CDS005500|ALDRICH...55 total

ref: mol2, SDF, SMILES, flexibase
1.79,3.49,-41.92,3,4,1, 229.344, 5
hi: mol2, SDF, SMILES, flexibase
4.43,10.91,-57.41,3,11,1, 583.754, 10

Similar to: 44239964,
39115189
 
#76

Chembo Pharma: KB-287845
Chemstep: 71866
KaironKem: K698
IBM Patent Data: 135785035
PubChem: 22120293...6 total

ref: mol2, SDF, SMILES, flexibase
-0.51,-0.59,-50.5,3,4,1, 187.263, 2
mid: mol2, SDF, SMILES, flexibase
-0.51,-1.77,-7.34,2,4,0, 186.255, 2
39114530
 
#77

Chemstep: 70742
KaironKem: K695
PubChem: 21949293
SureChEMBL: SCHEMBL3938238
ref: mol2, SDF, SMILES, flexibase
-0.86,-0.45,-47.58,3,4,1, 173.236, 1
mid: mol2, SDF, SMILES, flexibase
-0.86,-1.76,-8.38,2,4,0, 172.228, 1
43214564
 
#78

KaironKem: K1102
PubChem: 22321697
SureChEMBL: SCHEMBL412749
ref: mol2, SDF, SMILES, flexibase
1.48,5.07,-43.3,2,5,1, 284.424, 4
lo: mol2, SDF, SMILES, flexibase
1.48,6.99,-126.09,3,5,2, 285.432, 4
lo: mol2, SDF, SMILES, flexibase
1.48,5.64,-41.25,2,5,1, 284.424, 4

Similar to: 43214591, 43214592, 65611795,
19851050
 
#79

ChemMol: 44032380, 96709373, 2000972
Molport: MolPort-002-500-638, MolPort-000-006-069
AK Scientific: 5919AD
AKOS: AKOS015996733
Aldrich CPR: CDS007977|ALDRICH...40 total

ref: mol2, SDF, SMILES, flexibase
1.09,3.79,-45.59,2,5,1, 270.397, 3

Similar to: 36878871, 36878910, 36878912, 36878923, 39350743, ... 11 in total.
21948317
 
#80

ChemMol: 44021478
Bosche Scientific: P17421
Chembo Pharma: KB-105695
Chemstep: 71191
EvoBlocks: EB11533...21 total

ref: mol2, SDF, SMILES, flexibase
-0.13,1.08,-43.37,4,4,1, 179.247, 1
hi: mol2, SDF, SMILES, flexibase
-0.13,-0.33,-7.12,3,4,0, 178.239, 1

Similar to: 31719311, 36226492, 36226493, 36765457, 37078327, ... 8 in total.
391890
 
#81

ChemMol: 1203069, 97803933, 30111619
eMolecules: 489444
Molport: MolPort-019-857-239, MolPort-001-779-762, MolPort-020-001-051
Scientific Exchange (make on demand): K-030694
Acorn PharmaTech: ACN-S003884...169 total

ref: mol2, SDF, SMILES, flexibase
0.67,-1.31,-4.59,2,2,0, 118.176, 1

Similar to: 33866480, 33866481,
1734479
 
#82

Molport: MolPort-006-170-177
Enamine: Z432755178
KaironKem: K517
Mcule: MCULE-1783979615
Enamine-REAL: Z432755178...17 total

ref: mol2, SDF, SMILES, flexibase
2.81,-0.56,-35.48,1,2,1, 205.325, 3

Similar to: 33826886, 41681645, 1558001,
3873121
 
#83

ChemMol: 44029208
Chembo Pharma: KB-73782
CiVentiChem: CV-1224
Element Store BB: b2star-153559-76-3
KaironKem: K580...25 total

ref: mol2, SDF, SMILES, flexibase
5.37,2.81,-46.66,0,3,-1, 362.493, 3

Similar to: 34648278, 38244469, 589127,
19089978
 
#84

ChemMol: 96705780
AK Scientific: X5539
AKOS: AKOS004119601
Aldrich CPR: PH010321|ALDRICH
Alfa-Aesar: H66232...39 total

ref: mol2, SDF, SMILES, flexibase
2.58,4.37,-40.25,3,1,1, 150.245, 1

Similar to: 39017396, 39017397, 2577188, 3394484, ... 4 in total.
403118
 
#85

ChemMol: 44011212, 1034674, 97803947, 30100341
eMolecules: 510612
AKOS: AKOS000278512
Angene Building Blocks: AGN-PC-0JLTC2
Anward: ANW-36050...64 total

ref: mol2, SDF, SMILES, flexibase
3.71,1.52,-54.35,0,2,-1, 211.24, 2

Similar to: 2580941, 32002776, 34526021, 39377724, ... 4 in total.
14985574
 
#86

ChemMol: 44013343, 2000377, 96709858, 96712329
AK Scientific: W6912
Aldrich CPR: PH009705|ALDRICH
Angene Building Blocks: AGN-PC-0OC6FI
Anward: ANW-45681...46 total

ref: mol2, SDF, SMILES, flexibase
-0.15,4.09,-20.51,1,3,0, 134.138, 0

Similar to: 26058811, 6513211,
43214582
 
#87

KaironKem: K1123
ref: mol2, SDF, SMILES, flexibase
1.82,5.09,-49.06,2,4,1, 241.355, 2

Similar to: 59825414, 59825417, 59825422,
43214581
 
#88

KaironKem: K1123
ref: mol2, SDF, SMILES, flexibase
1.82,5.08,-49.22,2,4,1, 241.355, 2

Similar to: 59825414, 59825417, 59825422,
43214580
 
#89

Apexmol Building Blocks: AM805674
KaironKem: K1123
Synblock: PB37752
Tetrahedron Building Blocks: TS92486
ref: mol2, SDF, SMILES, flexibase
1.82,5.23,-46.48,2,4,1, 241.355, 2

Similar to: 59825414, 59825417, 59825422,
40379069
 
#90

KaironKem: K1042
BindingDB.org: 50343541
ChEMBL12: CHEMBL506460
ChEMBL12 10uM: CHEMBL506460
ChEMBL19: CHEMBL506460...7 total

ref: mol2, SDF, SMILES, flexibase
1.24,4.02,-43.95,3,1,1, 152.261, 1
12358803
 
#91

Acros Organics: 33928
AKOS: AKOS015892776
Alfa-Aesar: A16683
Anward: ANW-43678
Ark Pharm Building Blocks: AK-63272...29 total

ref: mol2, SDF, SMILES, flexibase
1.68,5.63,-53.12,0,2,-1, 165.212, 1

Similar to: 16975718, 17004012, 32191891, 32191892, 38285492, ... 6 in total.
12362974
 
#92

AK Scientific: V0820
Alfa-Aesar: H66120
Anward: ANW-43041
Ark Pharm Building Blocks: AK134565
Capot Chemical: 21670...25 total

ref: mol2, SDF, SMILES, flexibase
1.83,3.23,-40.2,3,1,1, 138.234, 0

Similar to: 20857927, 33748436, 34332919, 34332920, ... 7 in total.
2599001
 
#93

ChemMol: 51500675, 44009127, 30112301, 97805172
Acorn PharmaTech: ACN-S001533
AK Scientific: W5495
AKOS: AKOS002664371
Alfa-Aesar: H32361...47 total

ref: mol2, SDF, SMILES, flexibase
0.86,4.03,-40.73,0,6,-1, 167.1, 2
38665627
 
#94

ChemMol: 51503598
KaironKem: K747
Synchem UG and Co KG: cdp114fp1
Debye Scientific BB (Depleted): DB-083194
PubChem: 13241118...7 total

ref: mol2, SDF, SMILES, flexibase
-0.23,1.22,-17.16,2,6,0, 167.124, 2
1692681
 
#95

ChemMol: 30112298, 51500725
AK Scientific: W5494
Angene Building Blocks: AGN-PC-0JPGO6
Anward: ANW-51629
APIChem: AC-6154...32 total

ref: mol2, SDF, SMILES, flexibase
0.57,4,-38.4,0,6,-1, 167.1, 2
1692680
 
#96

ChemMol: 51500608, 97805165
AK Scientific: X8251
Angene Building Blocks: AGN-PC-0JPGO4
Anward: ANW-72722
Apexmol Building Blocks: AM808258...33 total

ref: mol2, SDF, SMILES, flexibase
0.52,0.79,-54.52,0,6,-1, 167.1, 2
hi: mol2, SDF, SMILES, flexibase
1.77,7.38,-93.79,5,6,2, 375.476, 4
2599035
 
#97

ChemMol: 51500757
AK Scientific: W5004
AKOS: AKOS002665546
Alfa-Aesar: H35766
Angene Building Blocks: AGN-PC-0JT7H8...38 total

ref: mol2, SDF, SMILES, flexibase
0.64,3.99,-55.87,0,6,-1, 167.1, 2

Similar to: 39221663, 39953839,
22200307
 
#98

Chembo Pharma: KB-86323
KaironKem: K81
Tetrahedron Building Blocks: TS43182
Vesino Industrial Co Ltd: VP14876
Debye Scientific BB (Depleted): DB-072771...7 total

ref: mol2, SDF, SMILES, flexibase
-0.11,1.23,-10.88,2,6,0, 167.124, 2
2598995
 
#99

ChemMol: 51500656, 44033385, 1033005
AK Scientific: 7435AA
Anward: ANW-61793
Apexmol Building Blocks: AM20050823
Ark Pharm Building Blocks: AK-28786...28 total

ref: mol2, SDF, SMILES, flexibase
0.03,2.52,-35.36,3,5,1, 140.122, 1
19735907
 
#100

ChemMol: 96709334, 44012117, 2001000
eMolecules: 707337
Molport: MolPort-021-795-168, MolPort-000-005-125
Scientific Exchange (make on demand): F-331477
ACB Blocks: ARP-0011...63 total

ref: mol2, SDF, SMILES, flexibase
0.35,4.42,-47.57,2,6,1, 209.229, 2
hi: mol2, SDF, SMILES, flexibase
0.35,3.02,-9.74,1,6,0, 208.221, 2

Similar to: 26029020, 38581901, 39956585,

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 = 681 ) limit 0,100

Smiles were