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34013998
 
#1

eMolecules: 1986453
Molport: MolPort-002-964-496
Element Store BB: b2star-64-73-3
Collaborative Drug Discovery: 47016
Leadscope via PubChem: LS-187188...9 total

ref: mol2, SDF, SMILES, flexibase
-0.64,-0.49,-52.28,7,10,0, 464.858, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,-1.88,-55.96,6,10,-1, 463.85, 2
mid: mol2, SDF, SMILES, flexibase
-0.20,0.77,-90.19,6,10,-1, 463.85, 2
mid: mol2, SDF, SMILES, flexibase
-1.23,1.4,-67.58,6,10,0, 464.858, 2
mid: mol2, SDF, SMILES, flexibase
-1.23,2.4,-112.95,5,10,-1, 463.85, 2
hi: mol2, SDF, SMILES, flexibase
-0.64,-0.91,-104.95,5,10,-2, 462.842, 2
hi: mol2, SDF, SMILES, flexibase
-0.20,1.26,-198.85,5,10,-2, 462.842, 2

Similar to: 35024485, 35024487, 8034234, 11592647, 11592648, ... 8 in total.
35024487
 
#2

eMolecules: 1986453
Molport: MolPort-002-964-496
Element Store BB: b2star-64-73-3
Collaborative Drug Discovery: 47016
Leadscope via PubChem: LS-187188...8 total

ref: mol2, SDF, SMILES, flexibase
-0.64,-1.01,-48.87,7,10,0, 464.858, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,-3.15,-52.77,6,10,-1, 463.85, 2
mid: mol2, SDF, SMILES, flexibase
-0.20,0.03,-89.81,6,10,-1, 463.85, 2
mid: mol2, SDF, SMILES, flexibase
-1.23,0.86,-74.36,6,10,0, 464.858, 2
mid: mol2, SDF, SMILES, flexibase
-1.23,1.86,-121.6,5,10,-1, 463.85, 2
hi: mol2, SDF, SMILES, flexibase
-0.64,-2.15,-102.01,5,10,-2, 462.842, 2
hi: mol2, SDF, SMILES, flexibase
-0.64,1.12,-168.63,5,10,-2, 462.842, 2

Similar to: 36372411, 36372562, 36372563, 40465245, ... 10 in total.
35024485
 
#3

eMolecules: 1986453
Molport: MolPort-002-964-496
Element Store BB: b2star-64-73-3
Toronto Research Chemicals: D230730
Alfa-Aesar (Depleted): J63102...21 total

ref: mol2, SDF, SMILES, flexibase
-0.93,-0.48,-58.22,6,10,-1, 463.85, 1
mid: mol2, SDF, SMILES, flexibase
-0.64,-1.08,-55.55,7,10,0, 464.858, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,-3.36,-53.24,6,10,-1, 463.85, 2
mid: mol2, SDF, SMILES, flexibase
-1.38,-0.26,-37.35,7,10,0, 464.858, 1
mid: mol2, SDF, SMILES, flexibase
-0.64,-1.72,-135.9,5,10,-2, 462.842, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,0.28,-126.25,6,10,-1, 463.85, 2
hi: mol2, SDF, SMILES, flexibase
-0.93,0.51,-141.41,5,10,-2, 462.842, 1
hi: mol2, SDF, SMILES, flexibase
-0.64,-0.73,-228.57,4,10,-3, 461.834, 2
hi: mol2, SDF, SMILES, flexibase
-1.38,0.68,-90.24,6,10,-1, 463.85, 1
hi: mol2, SDF, SMILES, flexibase
-0.64,0.83,-169.94,5,10,-2, 462.842, 2
hi: mol2, SDF, SMILES, flexibase
-1.38,0.6,-136.94,5,10,-2, 462.842, 1
hi: mol2, SDF, SMILES, flexibase
-0.64,-2.38,-104,5,10,-2, 462.842, 2
lo: mol2, SDF, SMILES, flexibase
-0.93,-0.51,-36.04,7,10,0, 464.858, 1

Similar to: 34013998, 13719774, 13719778,
35565140
 
#4

ChemMol: 30103228
APIChem: AC-13651
Chembo Pharma: KB-76714
Element Store BB: b2star-24390-14-5, b2star-564-25-0
Enamine Building Blocks: EN300-49866...14 total

ref: mol2, SDF, SMILES, flexibase
-0.87,-1.92,-48.55,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.18,-54.62,7,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-1.46,2.34,-69.73,6,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,1.35,-133.6,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-0.6,-137.06,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-1.61,-0.61,-66.02,6,10,-1, 443.432, 1
hi: mol2, SDF, SMILES, flexibase
-0.87,-0.92,-107.16,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-0.43,1.33,-97.57,6,10,0, 443.432, 2
hi: mol2, SDF, SMILES, flexibase
-0.43,-0.58,-67.59,5,10,0, 442.424, 2

Similar to: 33848905, 31672726,
35565139
 
#5

ChemMol: 30103228
APIChem: AC-13651
Element Store BB: b2star-24390-14-5, b2star-564-25-0
Enamine Building Blocks: EN300-49866
Ryan Scientific BB: 000-35005...12 total

ref: mol2, SDF, SMILES, flexibase
-0.87,-2.59,-54,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-0.43,-57.12,7,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-1.46,1.7,-76,6,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.74,-133.03,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-1.27,-141.37,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-0.87,-1.59,-112.08,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-0.43,0.72,-132.07,6,10,-1, 443.432, 2
hi: mol2, SDF, SMILES, flexibase
-0.43,-1.24,-138.81,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-1.61,-0.73,-67.82,6,10,-1, 443.432, 1

Similar to: 34038129,
36379569
 
#6

Chembo Pharma: KB-76714
Element Store BB: b2star-564-25-0, b2star-24390-14-5
Enamine Building Blocks: EN300-49866
Ryan Scientific BB: 000-35005
StruChem BB: SC-16404...10 total

ref: mol2, SDF, SMILES, flexibase
-0.87,-0.77,-53.41,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,1,-57.41,6,10,0, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-0.01,-42.65,7,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.32,-131.88,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-1.46,1.27,-46.26,6,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-1.46,1.86,-42.48,5,10,0, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.52,-97.27,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,-0.38,-88.28,7,10,0, 444.44, 1
hi: mol2, SDF, SMILES, flexibase
-1.16,-2.55,-73.57,6,10,-1, 443.432, 1
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.87,-69.83,6,10,-1, 443.432, 1
hi: mol2, SDF, SMILES, flexibase
-0.87,0.23,-116.2,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.77,-73.01,6,10,-1, 443.432, 1

Similar to: 33848905, 31672726,
36379568
 
#7

Element Store BB: b2star-564-25-0, b2star-24390-14-5
Enamine Building Blocks: EN300-49866
Ryan Scientific BB: 000-35005
StruChem BB: SC-16404
Collaborative Drug Discovery: 46555...9 total

ref: mol2, SDF, SMILES, flexibase
-0.87,-1.1,-56.35,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.3,-59.27,6,10,0, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.03,-134.8,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-0.8,-43.92,7,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-1.46,1.17,-49.49,6,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-1.46,1.84,-47.28,5,10,0, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-0.16,-61.53,6,10,0, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,-0.52,-78.97,7,10,0, 444.44, 1
hi: mol2, SDF, SMILES, flexibase
-1.16,-2.69,-68,6,10,-1, 443.432, 1
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.92,-69.93,6,10,-1, 443.432, 1
hi: mol2, SDF, SMILES, flexibase
-0.87,-0.11,-116.68,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.84,-73.07,6,10,-1, 443.432, 1

Similar to: 38471842, 38799634, 38799635,
34804522
 
#8

Element Store BB: b2star-72957-42-7
Vesino Industrial Co Ltd: VA10174
BindingDB.org: 50026192
ref: mol2, SDF, SMILES, flexibase
-3.73,-6.74,-239.07,6,18,-3, 503.174, 8
mid: mol2, SDF, SMILES, flexibase
-3.73,-5.63,-376.66,5,18,-4, 502.166, 8

Similar to: 34951257, 33822007, 33822008, 33822009, 8660410, ... 9 in total.
3871400
 
#9

Element Store BB: b2star-93839-85-1
BindingDB.org: 92542
ChemDB: 6916767
PubChem: 21714625, 3363163, 16218856
ref: mol2, SDF, SMILES, flexibase
0.26,-2.5,-34.44,6,11,0, 363.292, 4
ref: mol2, SDF, SMILES, flexibase
-0.91,-0.98,-48.87,4,11,-1, 362.284, 4
hi: mol2, SDF, SMILES, flexibase
-0.91,-0.11,-136.64,4,11,-2, 361.276, 4
lo: mol2, SDF, SMILES, flexibase
-4.23,-2.08,-47.4,6,11,1, 364.3, 4
3871399
 
#10

Element Store BB: b2star-93839-85-1
BindingDB.org: 92542
ChemDB: 6916767
PubChem: 21714625, 3363163, 16218856
ref: mol2, SDF, SMILES, flexibase
0.26,-2.66,-32.14,6,11,0, 363.292, 4
ref: mol2, SDF, SMILES, flexibase
-0.91,-1.14,-47.54,4,11,-1, 362.284, 4
hi: mol2, SDF, SMILES, flexibase
-0.91,-0.27,-135.03,4,11,-2, 361.276, 4
lo: mol2, SDF, SMILES, flexibase
-4.23,-2.63,-44.59,6,11,1, 364.3, 4
3871398
 
#11

Element Store BB: b2star-93839-85-1
BindingDB.org: 92542
ChemDB: 6916767
PubChem: 21714625, 3363163, 16218856
ref: mol2, SDF, SMILES, flexibase
0.26,-1.6,-37.09,6,11,0, 363.292, 4
ref: mol2, SDF, SMILES, flexibase
-0.91,-0.08,-50.18,4,11,-1, 362.284, 4
hi: mol2, SDF, SMILES, flexibase
-0.91,0.79,-140.03,4,11,-2, 361.276, 4
lo: mol2, SDF, SMILES, flexibase
-4.23,-1.97,-44.82,6,11,1, 364.3, 4
3871397
 
#12

Element Store BB: b2star-93839-85-1
BindingDB.org: 92542
ChemDB: 6916767
PubChem: 21714625, 3363163, 16218856
ref: mol2, SDF, SMILES, flexibase
0.26,-0.95,-35.45,6,11,0, 363.292, 4
ref: mol2, SDF, SMILES, flexibase
-0.91,0.58,-50.13,4,11,-1, 362.284, 4
hi: mol2, SDF, SMILES, flexibase
-0.91,1.45,-139.94,4,11,-2, 361.276, 4
lo: mol2, SDF, SMILES, flexibase
-4.23,-1.37,-49.18,6,11,1, 364.3, 4
90366688
 
#13

Element Store BB: b2star-23708-48-7
59436529
 
#14

Element Store BB: b2star-155589-48-3
PubChem: 15970672, 16055553, 15972830
59436713
 
#15

Element Store BB: b2star-308796-04-5
PubChem: 15972146, 15972482
33793414
 
#16

Element Store BB: b2star-480438-44-6
PubChem: 16216971

Similar to: 4748100,
59228393
 
#17

Element Store BB: b2star-90878-19-6
PubChem: 15970757, 18694488, 20322791, 16057725, 15605759
98369926
 
#18

Element Store BB: b2star-12170-97-7
98369925
 
#19

Element Store BB: b2star-12170-97-7
98369924
 
#20

Element Store BB: b2star-12170-97-7
98369923
 
#21

Element Store BB: b2star-12170-97-7
59436538
 
#22

Element Store BB: b2star-35166-78-0
PubChem: 15970693, 20293513
59436528
 
#23

Element Store BB: b2star-56812-60-3
PubChem: 15970669
59054088
 
#24

Element Store BB: b2star-6921-34-2
PubChem: 58000140, 16054896, 20093849, 23198950, 15971004, 57471618, 20089599, 18681230, 15972175, 15811058, 25200179, 18688128, 15914830
59720810
 
#25

Element Store BB: b2star-1643-73-8
PubChem: 16057679, 57995728
95876935
 
#26

Element Store BB: b2star-152329-44-7
59447806
 
#27

Element Store BB: b2star-480438-42-4
PubChem: 15974129
59720445
 
#28

Element Store BB: b2star-107549-22-4
PubChem: 16217187, 16056842
71614067
 
#29

Element Store BB: b2star-307496-33-9
Tractus: TRA0050035
71618346
 
#30

Element Store BB: b2star-307496-26-0
60290309
 
#31

Element Store BB: b2star-308796-02-3
PubChem: 16217047
98369922
 
#32

Element Store BB: b2star-127087-36-9
4214738
 
#33

AK Scientific: X4863, 4265AB, 1800AB
Angene Building Blocks: AGN-PC-0W778F, AGN-PC-0SCGVY
Apexmol Building Blocks: AM84912
APIChem: AC-19717
Ark Pharm Building Blocks: AK-75883...105 total

32011515
 
#34

Element Store BB: b2star-65154-06-5
Leadscope via PubChem: LS-44921
Lipidomics: LMGP01020121
31516925
 
#35

Element Store BB: b2star-53046-98-3
ref: mol2, SDF, SMILES, flexibase
3.83,7.31,-25.81,4,12,0, 499.524, 13

Similar to: 28631820, 28631827, 28631825, 28631822, 16480289, ... 9 in total.
15149860
 
#36

Element Store BB: b2star-51798-45-9
Sigma Aldrich (Building Blocks): E0881|SIGMA
Alfa-Aesar (Depleted): J61120
ChEMBL12: CHEMBL1172108
ChEMBL19: CHEMBL1172108...9 total

ref: mol2, SDF, SMILES, flexibase
-3.86,-1.29,-67.65,10,15,0, 512.568, 14
ref: mol2, SDF, SMILES, flexibase
-3.99,-1.15,-63.93,10,15,0, 512.568, 14

Similar to: 35024634,
5138509
 
#37

Element Store BB: b2star-92614-59-0
ref: mol2, SDF, SMILES, flexibase
-4.57,0.99,-78.36,5,9,-1, 334.374, 10
hi: mol2, SDF, SMILES, flexibase
-4.57,0.68,-92.38,4,9,-2, 333.366, 10
5138480
 
#38

Element Store BB: b2star-92614-59-0
ref: mol2, SDF, SMILES, flexibase
-4.57,1.51,-79.87,5,9,-1, 334.374, 10
hi: mol2, SDF, SMILES, flexibase
-4.57,0.95,-93.04,4,9,-2, 333.366, 10
33913548
 
#39

Element Store BB: b2star-6926-14-3
ref: mol2, SDF, SMILES, flexibase
-2.24,-7.97,-13.13,6,11,0, 406.384, 5
5883430
 
#40

Element Store BB: b2star-6926-14-3
ref: mol2, SDF, SMILES, flexibase
-2.24,-7.41,-14.57,6,11,0, 406.384, 5

Similar to: 8952338, 8952339, 13370587, 13370590, 13370593, ... 9 in total.
4896578
 
#41

Element Store BB: b2star-1780-97-8
ref: mol2, SDF, SMILES, flexibase
3.29,9.29,-13.17,1,5,0, 469.416, 3

Similar to: 17353793, 17353794, 17353795, 17353796, 19862755, ... 8 in total.
5112887
 
#42

Element Store BB: b2star-90632-40-9
ref: mol2, SDF, SMILES, flexibase
-4.12,-1.98,-126.65,4,8,-2, 238.136, 7
mid: mol2, SDF, SMILES, flexibase
-4.12,-3.06,-57.71,5,8,-1, 239.144, 7
3914109
 
#43

eMolecules: 4775080, 738083
Molport: MolPort-002-506-959, MolPort-002-509-917
Scientific Exchange (make on demand): POD_33/0476, F-124870
Acros Organics: 36485
AK Scientific: M912...80 total

ref: mol2, SDF, SMILES, flexibase
0.46,4.22,-45.18,0,4,-1, 167.14, 1
mid: mol2, SDF, SMILES, flexibase
0.32,4.19,-12.93,0,4,0, 168.148, 1

Similar to: 5179896, 34583794, 39250103, 39343261, 39343262, ... 8 in total.
95630887
 
#44

Element Store BB: b2star-894777-14-1, b2star-677736-23-1
98369921
 
#45

Element Store BB: b2star-511543-00-3
ref: mol2, SDF, SMILES, flexibase
4.19,12.92,-34.34,0,0,1, 363.467, 2
mid: mol2, SDF, SMILES, flexibase
4.19,12.38,-7.21,0,0,0, 362.459, 2
lo: mol2, SDF, SMILES, flexibase
4.19,13.29,-100.07,0,0,2, 364.475, 2
98369920
 
#46

Element Store BB: b2star-511543-00-3
ref: mol2, SDF, SMILES, flexibase
4.19,12.24,-35.21,0,0,1, 363.467, 2
mid: mol2, SDF, SMILES, flexibase
4.19,11.72,-6.96,0,0,0, 362.459, 2
lo: mol2, SDF, SMILES, flexibase
4.19,12.63,-101.52,0,0,2, 364.475, 2
98369919
 
#47

Element Store BB: b2star-908128-78-9
ref: mol2, SDF, SMILES, flexibase
0.75,9.04,-37.64,0,4,1, 369.406, 2
mid: mol2, SDF, SMILES, flexibase
0.75,8.94,-36.69,0,4,1, 369.406, 2
mid: mol2, SDF, SMILES, flexibase
0.75,8.66,-12.96,0,4,0, 368.398, 2
mid: mol2, SDF, SMILES, flexibase
0.75,9.37,-101.25,0,4,2, 370.414, 2
98369918
 
#48

Element Store BB: b2star-908128-78-9
ref: mol2, SDF, SMILES, flexibase
0.75,8.93,-36.76,0,4,1, 369.406, 2
mid: mol2, SDF, SMILES, flexibase
0.75,9.03,-37.55,0,4,1, 369.406, 2
mid: mol2, SDF, SMILES, flexibase
0.75,8.65,-12.86,0,4,0, 368.398, 2
mid: mol2, SDF, SMILES, flexibase
0.75,9.35,-101.41,0,4,2, 370.414, 2
98369917
 
#49

Element Store BB: b2star-908128-78-9
ref: mol2, SDF, SMILES, flexibase
0.75,8.58,-35.2,0,4,1, 369.406, 2
mid: mol2, SDF, SMILES, flexibase
0.75,8.31,-11.4,0,4,0, 368.398, 2
mid: mol2, SDF, SMILES, flexibase
0.75,9.05,-102.37,0,4,2, 370.414, 2
38307484
 
#50

Element Store BB: b2star-862095-91-8
Sigma Aldrich (Building Blocks): 683701|ALDRICH
Tractus: TRA0089850
ChEMBL12: CHEMBL1214299
ChEMBL19: CHEMBL1214299...9 total

ref: mol2, SDF, SMILES, flexibase
-1.37,9.88,-29.75,0,3,1, 276.188, 1
ref: mol2, SDF, SMILES, flexibase
-1.04,9.91,-31.3,0,3,1, 276.188, 1
43220853
 
#51

Element Store BB: b2star-872143-57-2
ref: mol2, SDF, SMILES, flexibase
0.03,11.68,-27.99,0,4,1, 380.296, 1

Similar to: 34662593,
34662593
 
#52

Element Store BB: b2star-872143-57-2
Sigma Aldrich (Building Blocks): 674788|ALDRICH
Frontier (Depleted): P13419
SureChEMBL: SCHEMBL874543
ref: mol2, SDF, SMILES, flexibase
-0.30,11.97,-30.44,0,4,1, 380.296, 1
ref: mol2, SDF, SMILES, flexibase
0.03,11.72,-31.44,0,4,1, 380.296, 1

Similar to: 43220852, 43220853, 43764010, 47912496, 47912498, ... 6 in total.
38347975
 
#53

Element Store BB: b2star-872143-57-2
Sigma Aldrich (Building Blocks): 667080|ALDRICH
SureChEMBL: SCHEMBL14087058, SCHEMBL12265976
ref: mol2, SDF, SMILES, flexibase
-0.30,11.97,-30.41,0,4,1, 380.296, 1
ref: mol2, SDF, SMILES, flexibase
0.03,11.72,-31.44,0,4,1, 380.296, 1
43220852
 
#54

Element Store BB: b2star-872143-57-2
ref: mol2, SDF, SMILES, flexibase
0.03,11.68,-27.97,0,4,1, 380.296, 1

Similar to: 34662593,
49952234
 
#55

Acros Organics: 17295
Alfa-Aesar: L03140, B25035, A12949
Anward: ANW-41418
Chembo Pharma: KB-81310
Element Store BB: b2star-341-02-6...29 total

18123155
 
#56

ChemMol: 96700504
eMolecules: 7325536
Molport: MolPort-002-941-733
Acros Organics: 24174
BioSynth: W-203229...36 total

ref: mol2, SDF, SMILES, flexibase
-0.77,-4.96,-33.74,2,7,-1, 152.093, 0
ref: mol2, SDF, SMILES, flexibase
-0.77,-5.01,-31.2,2,7,-1, 152.093, 0
mid: mol2, SDF, SMILES, flexibase
-0.77,-6.06,-35.4,2,7,-1, 152.093, 0
mid: mol2, SDF, SMILES, flexibase
-0.31,-6,-94.24,1,7,-2, 151.085, 0
mid: mol2, SDF, SMILES, flexibase
-1.23,-2.99,-11.54,3,7,0, 153.101, 0
mid: mol2, SDF, SMILES, flexibase
-0.77,-4.94,-35.93,2,7,-1, 152.093, 0
lo: mol2, SDF, SMILES, flexibase
-1.23,-3.06,-7.87,3,7,0, 153.101, 0

Similar to: 39268773, 39268776, 39268778,
12371977
 
#57

Element Store BB: b2star-24346-00-7
Tractus: TRA0049095, TRA0168540
Collaborative Drug Discovery: 46228, 42120
Human Metabolome Database: HMDB01185
22055066
 
#58

AKOS: AKOS005066164
Bosche Scientific: N0721
Element Store BB: b2star-34233-69-7
Sigma Aldrich (Building Blocks): C0832|SIGMA
Tetrahedron Building Blocks: TS78628...22 total

ref: mol2, SDF, SMILES, flexibase
2.85,9.66,-16.17,1,5,0, 342.83, 1
hi: mol2, SDF, SMILES, flexibase
2.85,10.9,-39.98,2,5,1, 343.838, 1

Similar to: 31880687, 32131087, 34539532, 34652231, 38423058, ... 7 in total.
34223289
 
#59

Element Store BB: b2star-73232-52-7
ref: mol2, SDF, SMILES, flexibase
-2.63,6.53,-55.68,2,5,1, 356.442, 2

Similar to: 40646368, 5764759, 20225, 3874476, 7997968, ... 8 in total.
34064749
 
#60

Element Store BB: b2star-63181-94-2
ref: mol2, SDF, SMILES, flexibase
-2.05,6.34,-30.17,1,2,1, 206.309, 5
33934978
 
#61

eMolecules: 33569328
American Custom Chemicals Corp.: CCH0010366, CCH0012336
Element Store BB: b2star-33818-15-4
IBScreen NP: STOCK1N-27501
Pharmeks: PHAR020821...10 total

5048329
 
#62

eMolecules: 33569328
American Custom Chemicals Corp.: CCH0010366, CCH0012336
Element Store BB: b2star-33818-15-4
IBScreen NP: STOCK1N-27501
Pharmeks: PHAR020821...10 total

33934977
 
#63

eMolecules: 33569328
American Custom Chemicals Corp.: CCH0010366, CCH0012336
Element Store BB: b2star-33818-15-4
IBScreen NP: STOCK1N-27501
Pharmeks: PHAR020821...10 total

1842903
 
#64

Angene Building Blocks: AGN-PC-0R3VLI
BioSynth: G-4205
Element Store BB: b2star-64681-08-9
FineTech: FT-0627676
Alfa Chemistry (Depleted): ACM4217849...17 total

95628216
 
#65

AK Scientific: O174
Ark Pharm Building Blocks: AK163095
BioSynth: G-4205
BOC Sciences BB: 28319-77-9
Element Store BB: b2star-64681-08-9...25 total

96035795
 
#66

Element Store BB: b2star-7758-31-8
Sigma Aldrich (Building Blocks): B3650|SIGMA
Synchem UG and Co KG: tj042
Bovine Metabolome: BMDB01252
ChEBI: CHEBI:15710...12 total

59064364
 
#67

Element Store BB: b2star-12108-13-3
Leadscope via PubChem: LS-2092, LS-153906
PubChem: 20315870, 25199988
5116013
 
#68

AK Scientific: V1963
BOC Sciences BB: 100648-13-3
Element Store BB: b2star-100648-13-3
Sigma Aldrich (BB, Depleted): 35391|FLUKA
SureChEMBL: SCHEMBL10533601...5 total

ref: mol2, SDF, SMILES, flexibase
4.35,6.02,-20.42,1,4,0, 375.664, 3
ref: mol2, SDF, SMILES, flexibase
4.35,6.02,-21.68,1,4,0, 375.664, 3
mid: mol2, SDF, SMILES, flexibase
4.35,5.55,-40.12,0,4,-1, 374.656, 3
mid: mol2, SDF, SMILES, flexibase
4.35,5.55,-40.92,0,4,-1, 374.656, 3

Similar to: 38558341,
5116010
 
#69

AK Scientific: V1963
BOC Sciences BB: 100648-13-3
Element Store BB: b2star-100648-13-3
Sigma Aldrich (BB, Depleted): 35391|FLUKA
SureChEMBL: SCHEMBL10533601...5 total

ref: mol2, SDF, SMILES, flexibase
4.35,6.02,-11.71,1,4,0, 375.664, 3
ref: mol2, SDF, SMILES, flexibase
4.35,6.01,-11.96,1,4,0, 375.664, 3
mid: mol2, SDF, SMILES, flexibase
4.35,5.55,-41.15,0,4,-1, 374.656, 3
mid: mol2, SDF, SMILES, flexibase
4.35,5.54,-40.73,0,4,-1, 374.656, 3

Similar to: 38558341,
5211163
 
#70

eMolecules: 4306108
Scientific Exchange (make on demand): POD_10/0150
Aldrich CPR: S716030|ALDRICH
Ark Pharm Building Blocks: AK135424
Chembo Pharma: KB-102307...15 total

ref: mol2, SDF, SMILES, flexibase
1.13,-3.08,-14.03,1,6,0, 216.218, 3
hi: mol2, SDF, SMILES, flexibase
1.13,-2.5,-31.74,0,6,-1, 215.21, 3

Similar to: 4130681, 4148353,
31439338
 
#71

Chembo Pharma: KB-49235
Element Store BB: b2star-1932-60-1
Tetrahedron Building Blocks: TS14157
BOC Sciences BB (Depleted): 1932-60-1
Protein Databank: QMP...6 total

98177455
 
#72

Element Store BB: b2star-5930-72-3
Vesino Industrial Co Ltd: VZ36000
86040441
 
#73

Acros Organics: 27714
AK Scientific: O007
Apexmol Building Blocks: AM101197
Ark Pharm Building Blocks: AK-67743
BePharm Building Blocks: B3040...26 total

86040405
 
#74

AK Scientific: O025
Ark Pharm Building Blocks: AK-35798
BePharm Building Blocks: B3041
Bide Pharmatech BB: BD3041
Chembo Pharma: KB-63346...21 total

53045858
 
#75

eMolecules: 475652
Enolase via KEGG (EFI): C01384_1
Acros Organics: 12523
AK Scientific: S429
Alfa-Aesar: A14596...126 total

39945938
 
#76

Element Store BB: b2star-51508-59-9
Sigma Aldrich (Building Blocks): 268739|ALDRICH
PubChem: 16211758
33429259
 
#77

Element Store BB: b2star-480438-46-8
95093689
 
#78

eMolecules: 7683901
Molport: MolPort-002-040-374
AK Scientific: Z3593
Aldrich CPR: CBR00222|ALDRICH
Alinda Building Blocks: ALBB-006878...26 total

33607923
 
#79

Element Store BB: b2star-26905-40-8
96482542
 
#80

AK Scientific: Q949
Alfa-Aesar: H25801
Ark Pharm Building Blocks: AK-35751
Bide Pharmatech BB: BD21608
Chembo Pharma: KB-205395...10 total

96068571
 
#81

Alfa-Aesar: H31081
Ark Pharm Building Blocks: AK-35752
Bide Pharmatech BB: BD21609
Chembo Pharma: KB-205285
Element Store BB: b2star-58520-04-0...9 total

98369916
 
#82

Element Store BB: b2star-11099-03-9
ref: mol2, SDF, SMILES, flexibase
4.93,7.92,-37.11,5,5,1, 357.522, 13
5733059
 
#83

American Custom Chemicals Corp.: NEW0110602
Anward: ANW-53406
Ark Pharm Building Blocks: AK-93366
BePharm Building Blocks: B230883
Chembo Pharma: KB-212273...21 total

ref: mol2, SDF, SMILES, flexibase
5.06,5.4,-13.84,1,5,0, 308.337, 4
ref: mol2, SDF, SMILES, flexibase
5.06,4.03,-12.43,1,5,0, 308.337, 4
ref: mol2, SDF, SMILES, flexibase
3.88,7.3,-13.43,1,5,0, 308.337, 4
ref: mol2, SDF, SMILES, flexibase
3.88,7.2,-16.24,1,5,0, 308.337, 4

Similar to: 17327079, 18043362, 18068930,
98369915
 
#84

Element Store BB: b2star-69616-74-6
ref: mol2, SDF, SMILES, flexibase
3.11,3.72,-15.82,2,6,0, 330.336, 6
hi: mol2, SDF, SMILES, flexibase
3.11,4.28,-43.87,1,6,-1, 329.328, 6
25694391
 
#85

Aldrich CPR: S480398|ALDRICH
Element Store BB: b2star-6222-55-5
TimTec: ST51254006
ChemDB: 6660866
ref: mol2, SDF, SMILES, flexibase
3.85,4.34,-48.63,2,11,-1, 493.477, 7
ref: mol2, SDF, SMILES, flexibase
3.85,5.85,-49.17,2,11,-1, 493.477, 7
ref: mol2, SDF, SMILES, flexibase
2.23,7.72,-52.65,2,11,-1, 493.477, 7
ref: mol2, SDF, SMILES, flexibase
2.23,7.25,-49.23,2,11,-1, 493.477, 7
hi: mol2, SDF, SMILES, flexibase
3.85,5.1,-120.89,1,11,-2, 492.469, 7
hi: mol2, SDF, SMILES, flexibase
3.85,6.62,-120.7,1,11,-2, 492.469, 7
31430204
 
#86

Element Store BB: b2star-24939-17-1
ref: mol2, SDF, SMILES, flexibase
2.48,6.96,-21.28,2,5,0, 338.359, 7
hi: mol2, SDF, SMILES, flexibase
3.23,6.12,-49.85,2,5,-1, 337.351, 6
36773571
 
#87

Element Store BB: b2star-6315-4-4

Similar to: 14956229,
98369914
 
#88

Element Store BB: b2star-6258-6-6
ref: mol2, SDF, SMILES, flexibase
3.67,7.61,-25.95,2,10,0, 480.502, 4
95616600
 
#89

eMolecules: 902550, 594884
AK Scientific: H977
Chembo Pharma: KB-147102, KB-278210
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...66 total

95616599
 
#90

eMolecules: 594884, 902550
AK Scientific: H977
Chembo Pharma: KB-278210, KB-147102
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...61 total

98369913
 
#91

Element Store BB: b2star-871126-35-1
ref: mol2, SDF, SMILES, flexibase
3.97,10.26,-10.45,0,5,0, 319.744, 6
5115570
 
#92

Element Store BB: b2star-72447-64-4
Sigma Aldrich (BB, Depleted): 32324|FLUKA, 32356|FLUKA
ref: mol2, SDF, SMILES, flexibase
3.10,4.04,-10.38,3,6,0, 315.354, 3
mid: mol2, SDF, SMILES, flexibase
3.10,4.04,-12.16,3,6,0, 315.354, 3
98369912
 
#93

Element Store BB: b2star-444619-08-3
ref: mol2, SDF, SMILES, flexibase
4.50,7.88,-8.93,1,4,0, 257.374, 13
ref: mol2, SDF, SMILES, flexibase
4.50,7.84,-8.73,1,4,0, 257.374, 13
31485177
 
#94

Element Store BB: b2star-1874-24-4
ref: mol2, SDF, SMILES, flexibase
1.69,5.79,-15.5,0,6,0, 197.146, 4

Similar to: 477427, 16892591, 1606955, 17174320, 84888, ... 6 in total.
98369911
 
#95

Element Store BB: b2star-7187-1-1
ref: mol2, SDF, SMILES, flexibase
3.19,6.89,-9.43,1,5,0, 271.272, 5
87612235
 
#96

Alfa-Aesar: H63234
Ark Pharm Building Blocks: AK-41635
BePharm Building Blocks: B20244
Combi-Blocks: QB-5147
Element Store BB: b2star-32854-09-4...13 total

96036709
 
#97

AK Scientific: U715
Alfa-Aesar: H63234
Ark Pharm Building Blocks: AK-41635
BOC Sciences BB: 1069-29-0
Element Store BB: b2star-32854-09-4...13 total

13430929
 
#98

Alfa-Aesar: H63234
Bosche Scientific: D15052
Element Store BB: b2star-32854-09-4
Indofine: 04-1084
Labotest: LT03333141...11 total

ref: mol2, SDF, SMILES, flexibase
-1.21,1.73,-44.3,5,6,1, 269.368, 9
mid: mol2, SDF, SMILES, flexibase
-1.21,1.78,-7.65,4,6,0, 268.36, 9

Similar to: 32193840, 32193842, 32193844, 32193847, ... 4 in total.
89220030
 
#99

Molport: MolPort-019-918-660, MolPort-002-499-284
A&J Pharmtech: AJ-00607
Acros Organics: 33783, 42731
ACT Chemical BB: ACT10100
AK Scientific: X3240...69 total

hi: mol2, SDF, SMILES, flexibase
1.90,6.77,-53.67,5,7,1, 440.564, 5
95616273
 
#100

Molport: MolPort-019-918-660, MolPort-002-501-555
A&J Pharmtech: AJ-00609
ACT Chemical BB: ACT06590
AK Scientific: W8000
Alfa-Aesar: H64396...43 total

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 = 842 ) limit 0,100

Smiles were