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24705
 
#1

ChemMol: 2102143, 96701005
Molport: MolPort-002-128-194
AKOS: AKOS004118340
Chembo Pharma: KB-226633
ChemBridge: 9026003...31 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.49,-22.04,2,4,0, 289.356, 5

Similar to: 19367,
9766
 
#2

ChemMol: 2102124, 30104646
Angene Building Blocks: AGN-PC-0MWFIW
APIChem: AC-6204
BioSynth: Q-200221
Bosche Scientific: D4715...30 total

ref: mol2, SDF, SMILES, flexibase
2.75,-1.36,-10.65,2,2,0, 257.358, 5

Similar to: 8049063,
34627120
 
#3

Fragmenta: ACE005
Vesino Industrial Co Ltd: VZ34622
PubChem: 15678647
SureChEMBL: SCHEMBL9525188
ref: mol2, SDF, SMILES, flexibase
4.98,9.69,-9.22,0,3,0, 344.625, 4

Similar to: 4834358,
1570959
 
#4

Fragmenta: ACE007
NCI Plated 2007: 20134
Vesino Industrial Co Ltd: VZ36457
ChemDB: 4959395
Debye Scientific BB (Depleted): DB-050054...11 total

ref: mol2, SDF, SMILES, flexibase
-1.46,1.11,-12.66,1,4,0, 157.169, 3
1735380
 
#5

eMolecules: 526167
Molport: MolPort-003-938-113
Scientific Exchange (make on demand): F-394641
AK Scientific: V6221
Alinda: IBS-L0131772...31 total

ref: mol2, SDF, SMILES, flexibase
1.85,2.53,-10.46,3,3,0, 219.071, 1
334302
 
#6

ChemMol: 44021530, 96700648
Scientific Exchange (make on demand): H-049206
AK Scientific: Y9207
AKOS: AKOS003867781
Aldrich CPR: S803375|ALDRICH...34 total

ref: mol2, SDF, SMILES, flexibase
0.71,3.72,-13.02,1,3,0, 150.181, 1
lo: mol2, SDF, SMILES, flexibase
0.71,3.48,-26.86,2,3,1, 151.189, 1

Similar to: 34567722, 39051086,
34499111
 
#7

ChemMol: 96701667
AK Scientific: 3067AC
AKOS: AKOS015843794
Anward: ANW-66536
Ark Pharm Building Blocks: AK-39597...22 total

ref: mol2, SDF, SMILES, flexibase
2.14,4.88,-10.23,1,5,0, 289.722, 3
2056959
 
#8

eMolecules: 8241628
Molport: MolPort-002-818-640
Fragmenta: ACE021
Mcule: MCULE-7412265808
Ryan Scientific (Depleted): 003-04583...10 total

ref: mol2, SDF, SMILES, flexibase
7.04,-1.05,-22.45,1,4,0, 463.773, 5
2581472
 
#9

ChemMol: 30107943
Scientific Exchange Building Blocks: F-332733
Alfa-Aesar: B22717
APIChem: AC-20343
Fragmenta: ACE025...14 total

ref: mol2, SDF, SMILES, flexibase
1.55,5.4,-9.79,0,3,0, 186.232, 5
22058191
 
#10

Ark Pharm Building Blocks: AK-56573
Fragmenta: ACE027
Tractus: TRA0012678
Vesino Industrial Co Ltd: VZ34116
AKOS BB (make-on-demand): AKOS015912331...9 total

ref: mol2, SDF, SMILES, flexibase
2.73,9.41,-16.63,0,3,0, 302.395, 7

Similar to: 22058194, 44126539,
22058194
 
#11

Ark Pharm Building Blocks: AK-56573
Fragmenta: ACE027
Tractus: TRA0012678
Vesino Industrial Co Ltd: VZ34116
AKOS BB (make-on-demand): AKOS015912331...9 total

ref: mol2, SDF, SMILES, flexibase
2.73,9.41,-16.62,0,3,0, 302.395, 7

Similar to: 44126539, 22058191,
22058198
 
#12

Molport: MolPort-003-846-966
Fragmenta: ACE029
Key Organics Building Blocks: AF-0022
KeyOrganics: AF-0022
Matrix Scientific: 059305...15 total

ref: mol2, SDF, SMILES, flexibase
4.25,11.46,-7.44,0,2,0, 286.396, 7

Similar to: 34384646, 42900523, 42900526, 42907650, 42907652, ... 5 in total.
5162345
 
#13

Chembo Pharma: KB-209153
Fragmenta: ACE032
ChemDB: 7620798
Debye Scientific BB (Depleted): DB-049885
IBM Patent Data: 136125818...6 total

ref: mol2, SDF, SMILES, flexibase
3.22,2.93,-8.04,0,2,0, 222.291, 4

Similar to: 7500208, 28628857, 34343475,
22053683
 
#14

Fragmenta: ACE036
Toronto Research Chemicals: B690620
Tractus: TRA0146538
PubChem: 12573419
SureChEMBL: SCHEMBL4321251...5 total

ref: mol2, SDF, SMILES, flexibase
1.95,5.45,-8.76,0,3,0, 194.658, 6
6156
 
#15

ChemMol: 30104427, 44003992, 2100102
AKOS: AKOS004118314
American Custom Chemicals Corp.: API0000100
Apexmol Building Blocks: AM20060710
APIChem: AC-1382...132 total

ref: mol2, SDF, SMILES, flexibase
1.22,4.11,-17.73,2,3,0, 273.357, 5

Similar to: 3831139,
22011563
 
#16

ChemMol: 44034791, 30112247
Anward: ANW-45600
Apexmol Building Blocks: AM84737
APIChem: AC-6224
Ark Pharm Building Blocks: AK-31680...25 total

ref: mol2, SDF, SMILES, flexibase
1.64,6.42,-12.92,3,7,0, 342.399, 8

Similar to: 38214677,
3844076
 
#17

AKOS: AKOS004900541
Aldrich CPR: R193348|ALDRICH
Amadis Chemical: A845583
Fragmenta: AND001
Lab Seeker Building Blocks: SC-26591...28 total

ref: mol2, SDF, SMILES, flexibase
4.32,2.38,-4.35,0,1,0, 272.432, 0

Similar to: 3978360, 3978361, 4025339, 4025340, 4104852, ... 20 in total.
3844078
 
#18

AKOS: AKOS004900541
Aldrich CPR: R193348|ALDRICH
Amadis Chemical: A845583
Fragmenta: AND001
Lab Seeker Building Blocks: SC-26591...27 total

ref: mol2, SDF, SMILES, flexibase
4.32,2.32,-4.31,0,1,0, 272.432, 0

Similar to: 3978360, 3978361, 4025339, 4025340, 4104852, ... 20 in total.
3978360
 
#19

eMolecules: 26402132
Molport: MolPort-002-509-792
Fragmenta: AND001
IBScreen NP: STOCK1N-05185
Mcule: MCULE-3814030883...18 total

ref: mol2, SDF, SMILES, flexibase
4.32,2.35,-4.41,0,1,0, 272.432, 0

Similar to: 3978361, 4025339, 4025340, 4104852, 5275705, ... 25 in total.
3978361
 
#20

ChemMol: 97602745, 30109474, 44001245
eMolecules: 26402132
Molport: MolPort-002-509-792
AK Scientific: O160
Amadis Chemical: A845583...46 total

ref: mol2, SDF, SMILES, flexibase
4.32,2.3,-4.6,0,1,0, 272.432, 0

Similar to: 4025339, 4025340, 4104852, 5275705, 5275766, ... 25 in total.
4096012
 
#21

Fragmenta: AND021
Mcule: MCULE-1672250680
TimTec: ST50409163
ChEMBL12: CHEMBL143624
ChemDB: 5578482...15 total

ref: mol2, SDF, SMILES, flexibase
4.76,-0.64,-1.51,1,1,0, 276.464, 0

Similar to: 3814431, 3843674, 3843675, 3843676, 3843677, ... 9 in total.
4096014
 
#22

Fragmenta: AND021
Mcule: MCULE-1672250680
TimTec: ST50409163
ChEMBL12: CHEMBL143624
ChemDB: 5578482...19 total

ref: mol2, SDF, SMILES, flexibase
4.76,-0.2,-1.3,1,1,0, 276.464, 0

Similar to: 3814431, 3843674, 3843675, 3843676, 3843677, ... 9 in total.
3844056
 
#23

AKOS: AKOS004900538
Fragmenta: AND022
MolMall (formerly Molecular Diversity Preservation International): 688, 1088
ChemDB: 7648389, 5566559
KEGG via PubChem: C01876...16 total

ref: mol2, SDF, SMILES, flexibase
4.58,2.12,-3.53,0,1,0, 274.448, 0

Similar to: 4095488, 4095964, 4095965, 4095966, 4095967, ... 79 in total.
3844058
 
#24

AKOS: AKOS004900538
American Custom Chemicals Corp.: SHG0000895
Fragmenta: AND022
MolMall (formerly Molecular Diversity Preservation International): 688, 1088
ChemDB: 7648389...20 total

ref: mol2, SDF, SMILES, flexibase
4.58,2.14,-4.4,0,1,0, 274.448, 0
3849995
 
#25

AKOS: AKOS004908849
Fragmenta: AND023
MolMall (Depleted): 8072
MolMall (formerly Molecular Diversity Preservation International): 18142
Food Database: FDB007261...11 total

ref: mol2, SDF, SMILES, flexibase
4.58,-0.56,-1.89,1,1,0, 274.448, 0
3849997
 
#26

AKOS: AKOS004908849
Fragmenta: AND023
MolMall (Depleted): 8072
MolMall (formerly Molecular Diversity Preservation International): 18142
Food Database: FDB007261...14 total

ref: mol2, SDF, SMILES, flexibase
4.58,-0.47,-1.8,1,1,0, 274.448, 0

Similar to: 3965770,
3849998
 
#27

AKOS: AKOS004908849
Fragmenta: AND023
MolMall (Depleted): 8072
MolMall (formerly Molecular Diversity Preservation International): 18142
PubChem: 2754168...6 total

ref: mol2, SDF, SMILES, flexibase
4.58,0.42,-1.53,1,1,0, 274.448, 0

Similar to: 34041638, 34041639, 34041640, 34041641, ... 4 in total.
3850000
 
#28

AKOS: AKOS004908849
Fragmenta: AND023
MolMall (Depleted): 8072
MolMall (formerly Molecular Diversity Preservation International): 18142
NCI Plated 2007: 71291...7 total

ref: mol2, SDF, SMILES, flexibase
4.58,-0.18,-1.55,1,1,0, 274.448, 0
4228285
 
#29

Aldrich CPR: R193364|ALDRICH
Fragmenta: AND024
TimTec: ST50559489
ChemDB: 6633963
KEGG via PubChem: C00619...13 total

ref: mol2, SDF, SMILES, flexibase
4.39,10.13,-5.42,0,1,0, 272.432, 0

Similar to: 5188397, 5188450, 5842916,
4228287
 
#30

Aldrich CPR: R193364|ALDRICH
Fragmenta: AND024
TimTec: ST50559489
ChemDB: 6633963
IBM Patent Data: 136154064...19 total

ref: mol2, SDF, SMILES, flexibase
4.39,10.3,-5.48,0,1,0, 272.432, 0

Similar to: 5188397, 5188450, 5842916,
17003111
 
#31

Fragmenta: AND024
NCI Plated 2007: 69543
PubChem: 54088524
SureChEMBL: SCHEMBL13973080
ref: mol2, SDF, SMILES, flexibase
4.39,10.25,-5.72,0,1,0, 272.432, 0

Similar to: 1691405, 2113559, 3869630, 3869631, 3869632, ... 9 in total.
13818175
 
#32

Fragmenta: AND025
Molcan: androstenol
ChEMBL12: CHEMBL142465
ChEMBL19: CHEMBL142465
PubChem: 44361940...9 total

ref: mol2, SDF, SMILES, flexibase
4.51,7.69,-2.04,1,1,0, 274.448, 0
13818179
 
#33

Fragmenta: AND025
Molcan: androstenol
ChEMBL12: CHEMBL142465
ChEMBL19: CHEMBL142465
PubChem: 44361940...9 total

ref: mol2, SDF, SMILES, flexibase
4.51,7.66,-2.2,1,1,0, 274.448, 0
4352597
 
#34

Fragmenta: AND025
Molcan: androstenol
IBM Patent Data: 135760853
PubChem: 56993462, 9795543, 16759983, 16093471, 7204844
SureChEMBL: SCHEMBL14360552...10 total

ref: mol2, SDF, SMILES, flexibase
4.51,-0.21,-2.04,1,1,0, 274.448, 0

Similar to: 4352598, 4758337, 5275811, 5275908, 5276646, ... 9 in total.
4352598
 
#35

Fragmenta: AND025
Molcan: androstenol
Sequoia Research Products: 1153-51-1
Sigma Aldrich (Building Blocks): W510718|ALDRICH, A7883|SIGMA
Tetrahedron Building Blocks: TS33634...36 total

ref: mol2, SDF, SMILES, flexibase
4.51,7.69,-2.28,1,1,0, 274.448, 0

Similar to: 4352600, 4534065, 4758337, 5275811, 5275908, ... 11 in total.
5276646
 
#36

Fragmenta: AND026
Molcan: androstenol, androstenol
NCI Plated 2007: 65888, 71076
Tractus: TRA0148510
ChEMBL12: CHEMBL358398...15 total

ref: mol2, SDF, SMILES, flexibase
4.51,-0.4,-2.02,1,1,0, 274.448, 0

Similar to: 5276735, 12501291, 12501293, 12501295, ... 11 in total.
5276735
 
#37

Fragmenta: AND026
Molcan: androstenol, androstenol
Tractus: TRA0148510
ChEMBL12: CHEMBL358398
ChEMBL19: CHEMBL358398...13 total

ref: mol2, SDF, SMILES, flexibase
4.51,-0.51,-1.99,1,1,0, 274.448, 0

Similar to: 12501291, 12501293, 12501295,
44960183
 
#38

Fragmenta: AND026
Molcan: androstenol, androstenol
IBM Patent Data: 135760853
PubChem: 56993462, 56604929, 46780394
SureChEMBL: SCHEMBL3163769...8 total

ref: mol2, SDF, SMILES, flexibase
4.51,7.73,-2.09,1,1,0, 274.448, 0
4758337
 
#39

AK Scientific: 1099AC
Ark Pharm Building Blocks: AK115771
BePharm Building Blocks: B55979
Chembo Pharma: KB-244359
Fluorochem: 036064...25 total

ref: mol2, SDF, SMILES, flexibase
4.51,-0.49,-2.02,1,1,0, 274.448, 0

Similar to: 5275811, 5275908, 5276646, 5276735, 12501291, ... 11 in total.
4529305
 
#40

FineTech: FT-0619945
Fragmenta: AND027, AND042
Molcan: androstenone
ChEMBL12: CHEMBL142472
ChEMBL19: CHEMBL142472...21 total

ref: mol2, SDF, SMILES, flexibase
4.32,2.28,-4.59,0,1,0, 272.432, 0

Similar to: 4529306, 4529307, 4534033, 5765380, 5765381, ... 21 in total.
4529307
 
#41

FineTech: FT-0619945
Fragmenta: AND027, AND042
Molcan: androstenone
ChEMBL12: CHEMBL142472
ChEMBL19: CHEMBL142472...21 total

ref: mol2, SDF, SMILES, flexibase
4.32,2.2,-4.83,0,1,0, 272.432, 0

Similar to: 4534033, 5765380, 5765381, 5765425, 5765426, ... 21 in total.
4352601
 
#42

Fragmenta: AND042, AND027
Molcan: androstenone
Fragmenta (Depleted): AND038
IBM Patent Data: 135762643
PubChem: 9816949...11 total

ref: mol2, SDF, SMILES, flexibase
4.32,10.22,-4.66,0,1,0, 272.432, 0

Similar to: 4352602, 4529304, 4529305, 4529306, 4529307, ... 7 in total.
4352602
 
#43

AK Scientific: O048
Chembo Pharma: KB-196520
Fragmenta: AND027, AND042
Molcan: androstenone
Molport BB: MolPort-003-940-301...26 total

ref: mol2, SDF, SMILES, flexibase
4.32,10.02,-4.92,0,1,0, 272.432, 0

Similar to: 4352603, 4352604, 4529304, 4529305, 4529306, ... 21 in total.
17013970
 
#44

Fragmenta: AND028
Molcan: androstadienone, androstadienone
NCI Plated 2007: 93234
PubChem: 9860254
SureChEMBL: SCHEMBL13336490...6 total

ref: mol2, SDF, SMILES, flexibase
4.14,10.07,-5.87,0,1,0, 270.416, 0

Similar to: 4721064, 4933776, 4933777, 4933778, 4933779, ... 9 in total.
33995204
 
#45

Fragmenta: AND028
Molcan: androstadienone
PubChem: 9860254
SureChEMBL: SCHEMBL13336490
ref: mol2, SDF, SMILES, flexibase
4.14,10.08,-5.67,0,1,0, 270.416, 0
33995205
 
#46

Fragmenta: AND028
Molcan: androstadienone
PubChem: 57519389, 9860254
SureChEMBL: SCHEMBL13336490
ref: mol2, SDF, SMILES, flexibase
4.14,10.31,-6.29,0,1,0, 270.416, 0
6067825
 
#47

Fragmenta: AND028
Molcan: androstadienone, androstadienone
Toronto Research Chemicals: A637340
IBM Patent Data: 135767415
PubChem: 9860254...9 total

ref: mol2, SDF, SMILES, flexibase
4.14,10.12,-6.14,0,1,0, 270.416, 0

Similar to: 14421297, 14421300, 14421304, 16990836, 17013970, ... 5 in total.
22011064
 
#48

Ark Pharm Building Blocks: AK135032
Chembo Pharma: KB-215873, KB-13208
Fragmenta: AZA002
AKOS BB (make-on-demand): AKOS015891401
Debye Scientific BB (Depleted): DB-013862...12 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.1,-8.44,1,3,0, 201.225, 1
hi: mol2, SDF, SMILES, flexibase
1.51,2.36,-41.63,0,3,-1, 200.217, 1

Similar to: 34596617, 34596618, 36489295, 39258354, 39258355, ... 29 in total.
22011068
 
#49

Ark Pharm Building Blocks: AK135032
Chembo Pharma: KB-13208, KB-215873
Fragmenta: AZA002
AKOS BB (make-on-demand): AKOS015891401
Debye Scientific BB (Depleted): DB-013862...10 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.1,-8.43,1,3,0, 201.225, 1
hi: mol2, SDF, SMILES, flexibase
1.51,2.36,-41.67,0,3,-1, 200.217, 1

Similar to: 34596617, 34596618, 36489295, 39258354, 39258355, ... 29 in total.
6116357
 
#50

Fragmenta: AZA003
Innovapharm BB Make on Demand: BBV-00063731
ChemDB: 7638710
PubChem: 59337585, 150846
SureChEMBL: SCHEMBL1552771...8 total

ref: mol2, SDF, SMILES, flexibase
0.88,3.46,-8.26,1,3,0, 187.198, 1
mid: mol2, SDF, SMILES, flexibase
1.06,0.91,-43.57,0,3,-1, 186.19, 1

Similar to: 13821324, 13821326, 22011064, 22011068, ... 8 in total.
6116557
 
#51

Fragmenta: AZA003
Innovapharm BB Make on Demand: BBV-00063731
ChemDB: 7638710
PubChem: 150846
SureChEMBL: SCHEMBL1552771...5 total

ref: mol2, SDF, SMILES, flexibase
0.88,3.46,-8.26,1,3,0, 187.198, 1
mid: mol2, SDF, SMILES, flexibase
1.06,0.91,-43.58,0,3,-1, 186.19, 1

Similar to: 13821324, 13821326, 22011064, 22011068, ... 8 in total.
66348872
 
#52

ChemMol: 44031704, 30117364
AK Scientific: W5760
American Custom Chemicals Corp.: CCH0007550
Angene Building Blocks: AGN-PC-0RBN8S
Apexmol Building Blocks: AM20090694...37 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.25,-6.88,2,5,0, 226.276, 3

Similar to: 44857615, 44857616,
71609426
 
#53

Fragmenta: AZE003
Tractus: TRA0036240
PubChem: 53394972, 59867744, 57864647, 57582917
SureChEMBL: SCHEMBL2051746, SCHEMBL13698647, SCHEMBL13992244, SCHEMBL4650296
ref: mol2, SDF, SMILES, flexibase
6.84,17.21,-18.23,0,4,0, 497.541, 9
71609429
 
#54

Fragmenta: AZE003
Tractus: TRA0036240
PubChem: 59867744, 53394972
SureChEMBL: SCHEMBL13992244, SCHEMBL4650296
ref: mol2, SDF, SMILES, flexibase
6.84,17.42,-15.42,0,4,0, 497.541, 9
28101825
 
#55

ChemMol: 30113714
AK Scientific: 9915AA, 6422AD
American Custom Chemicals Corp.: HCH0036734
Apexmol Building Blocks: AM84654
APIChem: AC-8740...30 total

ref: mol2, SDF, SMILES, flexibase
6.84,17.5,-14.41,0,4,0, 497.541, 9
71609431
 
#56

Anward: ANW-44582
Fragmenta: AZE003
Tractus: TRA0036240
PubChem: 53394972, 59867744
SureChEMBL: SCHEMBL4650296...8 total

ref: mol2, SDF, SMILES, flexibase
6.84,17.21,-18.23,0,4,0, 497.541, 9
53658
 
#57

ChemMol: 83600545, 30107967
Molport: MolPort-001-794-049
AK Scientific: K851
AKOS: AKOS003244796
Aldrich CPR: S836168|ALDRICH...81 total

ref: mol2, SDF, SMILES, flexibase
-0.09,-1.61,-3.96,6,3,0, 123.159, 0

Similar to: 5286123,
21992932
 
#58

ChemMol: 30107961
APIChem: AC-20361
Ark Pharm Building Blocks: AK-59026
Chembo Pharma: KB-190834
Fragmenta: BEN002...9 total

ref: mol2, SDF, SMILES, flexibase
4.45,4.93,-9.84,4,3,0, 303.576, 2
13481388
 
#59

ChemMol: 44028685
Ark Pharm Building Blocks: AK135454
Chembo Pharma: KB-239447
Fragmenta: BEN004
Tetrahedron Building Blocks: TS64227...8 total

ref: mol2, SDF, SMILES, flexibase
4.21,12.32,-11.88,0,4,0, 340.382, 6

Similar to: 21786402, 34601097, 35804112,
13481383
 
#60

ChemMol: 44028682, 96701504
Anward: ANW-65695
Ark Pharm Building Blocks: AK-89395
BePharm Building Blocks: B52973
Bide Pharmatech BB: BD52973...16 total

ref: mol2, SDF, SMILES, flexibase
0.41,0.25,-12.19,2,4,0, 160.132, 0
254871
 
#61

eMolecules: 520076
Molport: MolPort-003-719-553
Scientific Exchange: LK-48
AK Scientific: 8501AD
Alinda Building Blocks: ALBB-019187...24 total

ref: mol2, SDF, SMILES, flexibase
2.52,-3.81,-5.38,2,2,0, 267.904, 0

Similar to: 31483485,
2509782
 
#62

ChemMol: 44020432
eMolecules: 2868400
Molport: MolPort-002-469-704
AK Scientific: Z4787
Aldrich CPR: T328049|ALDRICH...43 total

ref: mol2, SDF, SMILES, flexibase
1.95,4.55,-8.89,0,2,0, 133.15, 0
21297549
 
#63

ChemMol: 96701438, 44024943, 30104450, 42305363
AK Scientific: H339
Anward: ANW-72995
APIChem: AC-6805
Ark Pharm Building Blocks: AK109192...27 total

ref: mol2, SDF, SMILES, flexibase
2.24,7.47,-12.26,0,2,0, 170.215, 2

Similar to: 34455297, 39238176, 39269681, 44369152, 44370728, ... 6 in total.
21985310
 
#64

ChemMol: 30109399, 44014767, 30104106
Molport: MolPort-003-889-278
Acorn PharmaTech: ACN-S002009
ACT Chemical BB: ACT04895
AK Scientific: R756...65 total

ref: mol2, SDF, SMILES, flexibase
2.38,7.63,-10.32,3,5,0, 277.331, 3
lo: mol2, SDF, SMILES, flexibase
2.38,8.08,-46.05,4,5,1, 278.339, 3
2569976
 
#65

ChemMol: 44027036, 30104976
Anward: ANW-58726
Ark Pharm Building Blocks: AK-72504
BePharm Building Blocks: B15156
Bide Pharmatech BB: BD15156...23 total

ref: mol2, SDF, SMILES, flexibase
3.39,7.53,-11.82,0,2,0, 243.693, 0

Similar to: 5934826, 34405302, 34405303,
36427514
 
#66

Chembo Pharma: KB-261647
Fragmenta: BEN028
Sphinx Make-on-demand: BIM-27-1814
PubChem: 11776382
ref: mol2, SDF, SMILES, flexibase
-0.01,-3,-56.28,2,6,-1, 238.248, 2
mid: mol2, SDF, SMILES, flexibase
-0.01,-2.54,-27.16,3,6,0, 239.256, 2
lo: mol2, SDF, SMILES, flexibase
-0.01,-2.52,-21.15,3,6,0, 239.256, 2
45238556
 
#67

Chemstep: 10704
Fragmenta: BEN035
IBM Patent Data: 136110902
PubChem: 23000234
SureChEMBL: SCHEMBL7216263...5 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.23,-12.06,2,3,0, 162.192, 1
14985096
 
#68

AK Scientific: W8547
Aldrich CPR: CDS018372|ALDRICH
Angene Building Blocks: AGN-PC-0NK7H1
Anward: ANW-45202
Ark Pharm Building Blocks: AK-45407...29 total

ref: mol2, SDF, SMILES, flexibase
1.83,2.03,-7.81,1,3,0, 181.216, 1
mid: mol2, SDF, SMILES, flexibase
2.28,0.04,-48.35,0,3,-1, 180.208, 1
2565191
 
#69

ChemMol: 30112776, 44012139, 96700906, 51501113
Acros Organics: 45094
AK Scientific: W9641
Angene Building Blocks: AGN-PC-0MV2IN
Anward: ANW-51705...53 total

ref: mol2, SDF, SMILES, flexibase
1.36,1.64,-6.28,1,3,0, 176.2, 0

Similar to: 31894548, 31894949, 39953740,
2539373
 
#70

ChemMol: 30112764, 44019394, 1031169
Molport: MolPort-000-002-629
Acros Organics: 22536
AK Scientific: W9673
AKOS: AKOS000814239...60 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.79,-5.77,0,3,0, 190.227, 1

Similar to: 31894565, 31895007, 34328207, 34398558, 39953740, ... 5 in total.
2576385
 
#71

ChemMol: 96701246
Anward: ANW-65708
Ark Pharm Building Blocks: AK-89380
BePharm Building Blocks: B168395
Chembo Pharma: KB-08311...17 total

ref: mol2, SDF, SMILES, flexibase
1.75,4.86,-9.17,1,3,0, 196.637, 2
2581466
 
#72

Molport: MolPort-002-679-221
AKOS: AKOS000301133
Aldrich CPR: CDS002569|ALDRICH
Asinex: ASN00943014
Asinex Building Blocks: BAS00943014...24 total

ref: mol2, SDF, SMILES, flexibase
0.51,1,-9.59,2,4,0, 178.191, 2
1595533
 
#73

ChemMol: 44009562, 96701712
AK Scientific: Z5086
Angene Building Blocks: AGN-PC-0JLTK1
Anward: ANW-56543
Apexmol Building Blocks: AM86176...30 total

ref: mol2, SDF, SMILES, flexibase
2.10,-2.32,-8.69,1,2,0, 151.19, 0

Similar to: 39256738,
13376268
 
#74

ChemMol: 96701773, 51502902
Molport: MolPort-016-581-748
AK Scientific: Y7409
Anward: ANW-63687
Ark Pharm Building Blocks: AK-76951...32 total

ref: mol2, SDF, SMILES, flexibase
1.76,1.96,-6.37,1,2,0, 134.134, 0

Similar to: 34570365, 34887409,
44564084
 
#75

Fragmenta: BEN054
Vesino Industrial Co Ltd: VZ35077
Debye Scientific BB (Depleted): DB-050052
PubChem: 19767052
SureChEMBL: SCHEMBL2267233...5 total

ref: mol2, SDF, SMILES, flexibase
2.60,3.42,-6.09,1,2,0, 162.188, 1
34085856
 
#76

ChemMol: 96700998
Fragmenta: BEN055
Vesino Industrial Co Ltd: VZ35136
Debye Scientific BB (Depleted): DB-050040
PubChem: 13542526...6 total

ref: mol2, SDF, SMILES, flexibase
2.14,2.65,-6.33,1,2,0, 148.161, 0

Similar to: 38283520,
56444
 
#77

ChemMol: 1202940, 30101142, 98001839
eMolecules: 481554
AK Scientific: O338
AKOS: AKOS000113415
Alfa-Aesar: B23834...62 total

ref: mol2, SDF, SMILES, flexibase
4.78,2.49,-6.01,1,2,0, 234.339, 3

Similar to: 5765155, 34519974, 34578925, 39233971, ... 4 in total.
21987655
 
#78

ChemMol: 44005146, 96701669
Acorn PharmaTech: ACN-S001620
AK Scientific: Y6362
Angene Building Blocks: AGN-PC-0N58ZB
Anward: ANW-61735...30 total

ref: mol2, SDF, SMILES, flexibase
-0.37,-2.59,-9.66,6,4,0, 151.169, 1

Similar to: 38583444, 39385511,
37594061
 
#79

Fragmenta: BEN060
Vesino Industrial Co Ltd: VZ34902
AKOS BB (make-on-demand): AKOS015912045
BOC Sciences BB (Depleted): 17892-26-1
ChEMBL19: CHEMBL1814048...9 total

ref: mol2, SDF, SMILES, flexibase
2.30,0.9,-8.21,3,3,0, 206.028, 1
mid: mol2, SDF, SMILES, flexibase
2.30,1.9,-44.1,2,3,-1, 205.02, 1
337935
 
#80

ChemMol: 30104547, 30101150, 97801627, 2000002, 44004082
eMolecules: 859495
Scientific Exchange (make on demand): M-965960
Acorn PharmaTech: ACN-S003758
Acros Organics: CC45714...108 total

ref: mol2, SDF, SMILES, flexibase
0.13,5.46,-9.04,2,4,0, 174.207, 2
34627119
 
#81

Chembo Pharma: KB-281542
Fragmenta: BEN065
Vesino Industrial Co Ltd: VZ34438
Debye Scientific BB (Depleted): DB-050039
PubChem: 15678646...6 total

ref: mol2, SDF, SMILES, flexibase
5.25,7.5,-5.22,1,2,0, 268.143, 3

Similar to: 3162436, 109730, 22057023,
122948
 
#82

eMolecules: 666592
Molport: MolPort-000-998-593
AKOS: AKOS000108509
Aldrich CPR: R702609|ALDRICH
Asinex Building Blocks: BAS06839633...37 total

ref: mol2, SDF, SMILES, flexibase
3.97,6.51,-9.29,2,2,0, 260.749, 1
39103885
 
#83

ChemMol: 96701601
AK Scientific: 6737AC
Amadis Chemical: A845553
Anward: ANW-65698
Ark Pharm Building Blocks: AK-89391...15 total

ref: mol2, SDF, SMILES, flexibase
2.81,5.35,-2.76,2,1,0, 163.264, 1
39103915
 
#84

ChemMol: 96701605
AK Scientific: 6398AD
Anward: ANW-65679
Ark Pharm Building Blocks: AK-89418
BePharm Building Blocks: B96953...13 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.53,-2.35,2,1,0, 163.264, 2
236039
 
#85

ChemMol: 30100904
eMolecules: 2013042
Molport: MolPort-002-139-933
AKOS: AKOS015851944
Aldrich CPR: CDS010560|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
4.36,6.87,-4.6,1,2,0, 213.28, 3

Similar to: 34334606, 34335377, 34485340, 34613631, 36373424, ... 5 in total.
1090552
 
#86

ChemMol: 44004625, 98002103, 30105483
Molport: MolPort-001-760-022
Acros Organics: 42734
AK Scientific: Q029
Angene Building Blocks: AGN-PC-0K2XCR...50 total

ref: mol2, SDF, SMILES, flexibase
2.69,0.67,-5,0,2,0, 231.089, 3
1640903
 
#87

Aldrich CPR: S714445|ALDRICH, S327875|ALDRICH
Element Store BB: b2star-574-42-5
Fragmenta: BEN077
NCI Plated 2007: 2438
TimTec: ST51253089...24 total

ref: mol2, SDF, SMILES, flexibase
6.65,2.64,-5.11,0,1,0, 350.461, 6

Similar to: 4531945, 5284748, 5826392, 6403854, 34375845, ... 7 in total.
37594062
 
#88

Fragmenta: BEN087
Debye Scientific BB (Depleted): DB-050019
PubChem: 11264330
ref: mol2, SDF, SMILES, flexibase
4.72,8.9,-2.23,0,0,0, 212.745, 3
13306204
 
#89

Chembo Pharma: KB-254988
Fragmenta: BEN090
Individual Suppliers: ZINC13306204
PubChem: 11572382
ref: mol2, SDF, SMILES, flexibase
1.85,5,-14.79,0,5,0, 252.266, 6
22010876
 
#90

Ark Pharm Building Blocks: AK135580
Chembo Pharma: KB-48476
Fragmenta: BEN092
AKOS BB (make-on-demand): AKOS015891414
Debye Scientific BB (Depleted): DB-014724...8 total

ref: mol2, SDF, SMILES, flexibase
2.94,7.12,-5.49,0,2,0, 243.1, 3

Similar to: 34436821, 34436823, 34628442, 34628443, 36462212, ... 11 in total.
22010878
 
#91

Ark Pharm Building Blocks: AK135580
Chembo Pharma: KB-48476
Fragmenta: BEN092
AKOS BB (make-on-demand): AKOS015891414
Debye Scientific BB (Depleted): DB-014724...8 total

ref: mol2, SDF, SMILES, flexibase
2.94,7.12,-5.49,0,2,0, 243.1, 3

Similar to: 34436821, 34436823, 34628442, 34628443, 36462212, ... 13 in total.
400318
 
#92

ChemMol: 30102897, 44035178
eMolecules: 523814
Alfa-Aesar: L11443
Anward: ANW-56176
Apexmol Building Blocks: AM20020410...48 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.27,-9.91,0,3,0, 177.203, 3

Similar to: 39311977, 44126479,
80804
 
#93

ChemMol: 30107960, 44006175
AK Scientific: I597
AKOS: AKOS000265517
Alinda: IBS-L0126676
Angene Building Blocks: AGN-PC-0RT5Y8...63 total

ref: mol2, SDF, SMILES, flexibase
1.71,5.98,-9.51,0,2,0, 159.188, 2

Similar to: 4266224, 34226854, 34226855,
80805
 
#94

ChemMol: 30107960, 44006175
AK Scientific: I597
AKOS: AKOS000265517
Alinda: IBS-L0126676
Angene Building Blocks: AGN-PC-0RT5Y8...61 total

ref: mol2, SDF, SMILES, flexibase
1.71,5.98,-9.32,0,2,0, 159.188, 2

Similar to: 4266224, 34226854, 34226855, 34564996, 34564997, ... 5 in total.
66348476
 
#95

ChemMol: 44000397
Fragmenta: BEN100
AKOS BB (make-on-demand): AKOS015901641
PubChem: 46942254
ref: mol2, SDF, SMILES, flexibase
5.27,12.56,-8.2,0,3,0, 394.268, 6
2567350
 
#96

ChemMol: 30107758, 44006343, 96700967
eMolecules: 890677, 526789
Molport: MolPort-005-938-473, MolPort-001-766-011
AK Scientific: L640
AKOS: AKOS015848105...66 total

ref: mol2, SDF, SMILES, flexibase
0.14,-0.76,-12.16,3,4,0, 200.263, 3

Similar to: 37052941, 37053588,
364427
 
#97

eMolecules: 1377874
Scientific Exchange (make on demand): POD_12/0701
AKOS: AKOS000383788
Alinda: IBS-L0137802
Apollo Scientific: PC6301...38 total

ref: mol2, SDF, SMILES, flexibase
4.02,6,-8.73,1,3,0, 315.316, 4
mid: mol2, SDF, SMILES, flexibase
4.02,6.13,-41.61,0,3,-1, 314.308, 4

Similar to: 6352243, 14256082, 14256083, 14256084, 32239899, ... 7 in total.
37594063
 
#98

Chembo Pharma: KB-282950
Fragmenta: BEN113
Tetrahedron Building Blocks: TS49878
PubChem: 13001548
SureChEMBL: SCHEMBL1806974...6 total

ref: mol2, SDF, SMILES, flexibase
1.10,-1.23,-9.03,4,4,0, 220.681, 1
1688182
 
#99

ChemMol: 96700978
Anward: ANW-65703
Apexmol Building Blocks: AM808245, AM808269
Ark Pharm Building Blocks: AK-89385
BePharm Building Blocks: B21751...21 total

ref: mol2, SDF, SMILES, flexibase
0.49,-6.2,-9.85,4,4,0, 186.236, 1

Similar to: 37055126,
34382089
 
#100

ChemMol: 96701505, 30112577
Molport: MolPort-019-931-516
AK Scientific: X9810
AKOS: AKOS011538458
Angene Building Blocks: AGN-PC-002Q39...38 total

ref: mol2, SDF, SMILES, flexibase
-0.15,-2.87,-10.45,5,5,0, 187.224, 2

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 = 579 ) limit 0,100

Smiles were