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1596462
 
#1

eMolecules: 3725187, 17365388, 43445218
AK Scientific: W4367, X3552
AKOS: AKOS000112928
Alinda Building Blocks: ALBB-013879
Angene Building Blocks: AGN-PC-0QWMYG...62 total

mid: mol2, SDF, SMILES, flexibase
-0.11,0.39,-5.16,3,3,0, 109.132, 1
19371708
 
#2

eMolecules: 1012581, 514116
Molport: MolPort-001-768-421
Acorn PharmaTech: ACN-S002924
Acros Organics: 13366
Aldrich CPR: PH011527|ALDRICH...84 total

ref: mol2, SDF, SMILES, flexibase
-2.83,-1.42,-57.54,3,4,0, 130.147, 1
mid: mol2, SDF, SMILES, flexibase
-2.83,-0.15,-90.67,4,4,1, 131.155, 1
mid: mol2, SDF, SMILES, flexibase
-2.83,-1.54,-37.75,3,4,0, 130.147, 1
hi: mol2, SDF, SMILES, flexibase
-2.83,-1.75,-43.99,2,4,-1, 129.139, 1

Similar to: 33799774, 33799775, 33799776, 34563767, ... 4 in total.
38338234
 
#3

Acorn PharmaTech: ACN-S002085
Anward: ANW-75368, ANW-18971
APIChem: AC-1189
Ark Pharm Building Blocks: AK-53357, AK-39351
BePharm Building Blocks: B9703...26 total

ref: mol2, SDF, SMILES, flexibase
-0.08,1.39,-104.11,4,2,2, 116.208, 1
mid: mol2, SDF, SMILES, flexibase
-0.08,0.15,-35.27,3,2,1, 115.2, 1
lo: mol2, SDF, SMILES, flexibase
-0.08,0.04,-35.21,3,2,1, 115.2, 1
38338233
 
#4

Acorn PharmaTech: ACN-S002085
Anward: ANW-75368, ANW-18971
APIChem: AC-1189
Ark Pharm Building Blocks: AK-53357, AK-39351
BePharm Building Blocks: B9703...26 total

ref: mol2, SDF, SMILES, flexibase
-0.08,1.39,-104.07,4,2,2, 116.208, 1
mid: mol2, SDF, SMILES, flexibase
-0.08,0.12,-36.88,3,2,1, 115.2, 1
lo: mol2, SDF, SMILES, flexibase
-0.08,0.04,-34.72,3,2,1, 115.2, 1
19735340
 
#5

eMolecules: 707688
Molport: MolPort-003-848-154
Scientific Exchange (make on demand): M-586766
ACB Blocks: MIX-0732
Acorn PharmaTech: ACN-S002893...95 total

8672866
 
#6

ChemMol: 96703882
Acorn PharmaTech: ACN-S003257
AK Scientific: I204
Aldrich CPR: CDS003419|ALDRICH
Alfa-Aesar: H27549...44 total

ref: mol2, SDF, SMILES, flexibase
0.32,2.46,-9.98,0,2,0, 129.546, 0
mid: mol2, SDF, SMILES, flexibase
1.19,0.32,-5.55,1,2,0, 129.546, 0
mid: mol2, SDF, SMILES, flexibase
1.19,2.14,-32.36,0,2,-1, 128.538, 0
mid: mol2, SDF, SMILES, flexibase
0.99,2.58,-14.13,1,2,0, 129.546, 0
4216077
 
#7

ChemMol: 83603429, 97804660, 30113502, 96705443, 44014240
eMolecules: 722205
A&J Pharmtech: AJ-02334
Acros Organics: RF05036
AK Scientific: W5148...66 total

ref: mol2, SDF, SMILES, flexibase
1.05,2,-8.31,1,3,0, 171.985, 0
ref: mol2, SDF, SMILES, flexibase
1.05,1.85,-4.09,1,3,0, 171.985, 0
hi: mol2, SDF, SMILES, flexibase
1.05,1.83,-26.78,0,3,-1, 170.977, 0
18102448
 
#8

eMolecules: 1009420
Acorn PharmaTech: ACN-S004619
Acros Organics: MO07170
AK Scientific: U855
Aldrich CPR: CDS005311|ALDRICH...33 total

ref: mol2, SDF, SMILES, flexibase
0.94,-0.49,-36.92,0,3,-1, 129.526, 0
mid: mol2, SDF, SMILES, flexibase
0.48,0.61,-15.3,1,3,0, 130.534, 0

Similar to: 39295281,
30678375
 
#9

Acorn PharmaTech: ACN-S002147
Anward: ANW-29863
Apexmol Building Blocks: AM20100128
APIChem: AC-6901
Ark Pharm Building Blocks: AK-27545...24 total

ref: mol2, SDF, SMILES, flexibase
1.82,2.56,-12.35,1,4,0, 189.005, 0
mid: mol2, SDF, SMILES, flexibase
1.82,2.5,-4.65,1,4,0, 189.005, 0
25624380
 
#10

eMolecules: 43470193
AK Scientific: W8692
Anward: ANW-72913
Apexmol Building Blocks: AM20120538
Ark Pharm Building Blocks: AK-77644...17 total

ref: mol2, SDF, SMILES, flexibase
-0.90,-2.57,-48.63,5,4,1, 172.252, 3
mid: mol2, SDF, SMILES, flexibase
-0.90,-2.42,-39.63,5,4,1, 172.252, 3
8659457
 
#11

ChemMol: 1202704, 30105952
eMolecules: 32179401
AK Scientific: W6896
AKOS: AKOS015836068
Angene Building Blocks: AGN-PC-0OC3XZ...37 total

ref: mol2, SDF, SMILES, flexibase
0.86,-0.51,-38.43,1,5,-1, 214.002, 0
ref: mol2, SDF, SMILES, flexibase
0.86,-0.57,-36.93,1,5,-1, 214.002, 0
mid: mol2, SDF, SMILES, flexibase
0.40,1.57,-12.35,2,5,0, 215.01, 0
mid: mol2, SDF, SMILES, flexibase
0.40,1.46,-13.4,2,5,0, 215.01, 0
6119231
 
#12

ChemMol: 44011380
eMolecules: 10499909
ACT Chemical BB: ACT10148
AK Scientific: W8158
Aldrich CPR: CDS002807|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
0.52,2.32,-10.68,1,3,0, 147.963, 0
mid: mol2, SDF, SMILES, flexibase
0.52,2.07,-32.12,0,3,-1, 146.955, 0
mid: mol2, SDF, SMILES, flexibase
0.52,2.24,-4.32,1,3,0, 147.963, 0
18206667
 
#13

ChemMol: 1201466, 96700366
eMolecules: 31410033, 491060
Molport: MolPort-023-292-954, MolPort-001-761-231, MolPort-000-844-008
AKOS: AKOS000307934, AKOS015922366
Alfa-Aesar: L06845...79 total

ref: mol2, SDF, SMILES, flexibase
-0.33,4.62,-30.49,0,6,-1, 113.056, 1
mid: mol2, SDF, SMILES, flexibase
-0.33,4.8,-5.21,1,6,0, 114.064, 1
mid: mol2, SDF, SMILES, flexibase
-0.33,4.8,-12.25,1,6,0, 114.064, 1
lo: mol2, SDF, SMILES, flexibase
-0.33,4.66,-30.37,0,6,-1, 113.056, 1
4674340
 
#14

CCP W191G non-binders: MFCD00005236
eMolecules: 816622
ACB Blocks: MIX-0347
Acros Organics: 17103
Aldrich CPR: CDS003675|ALDRICH...92 total

ref: mol2, SDF, SMILES, flexibase
-0.38,0.35,-32.72,3,3,1, 84.102, 0
mid: mol2, SDF, SMILES, flexibase
-0.07,-0.05,-29.23,4,3,1, 84.102, 0
mid: mol2, SDF, SMILES, flexibase
-0.07,-0.21,-5.35,3,3,0, 83.094, 0
mid: mol2, SDF, SMILES, flexibase
-0.07,-0.16,-6.4,3,3,0, 83.094, 0

Similar to: 33961338,
35940042
 
#15

AK Scientific: Z3875
Angene Building Blocks: AGN-PC-0NWZP2
Anward: ANW-56444
Apexmol Building Blocks: AM86165
Ark Pharm Building Blocks: AK-32821...25 total

ref: mol2, SDF, SMILES, flexibase
2.57,3.96,-6.31,1,2,0, 170.574, 0
ref: mol2, SDF, SMILES, flexibase
2.57,3.96,-4.71,1,2,0, 170.574, 0
21981888
 
#16

Anward: ANW-49577
Ark Pharm Building Blocks: AK-47612
BePharm Building Blocks: B71578
Capot Chemical: 5771
Fluorochem: 078980...9 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.97,-17.33,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,0.72,-7.53,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,1.51,-32.02,0,2,-1, 207.434, 0
16696633
 
#17

AK Scientific: O738, V7661, K306
American Custom Chemicals Corp.: CHM0292923
APIChem: AC-1976
Ark Pharm Building Blocks: AK-36318
BePharm Building Blocks: B7105...31 total

ref: mol2, SDF, SMILES, flexibase
0.49,3.16,-99.91,4,2,2, 156.273, 0
mid: mol2, SDF, SMILES, flexibase
0.49,1.17,-44.65,3,2,1, 155.265, 0
hi: mol2, SDF, SMILES, flexibase
0.49,2.84,-31.24,3,2,1, 155.265, 0

Similar to: 34482590, 38343295, 38343296,
18037976
 
#18

eMolecules: 485950
Molport: MolPort-001-783-877
Acros Organics: 34619
AK Scientific: W8968
Alfa-Aesar: L02753...39 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.44,-39.55,0,2,-1, 139.174, 0
ref: mol2, SDF, SMILES, flexibase
1.39,5,-49.19,0,2,-1, 139.174, 0
mid: mol2, SDF, SMILES, flexibase
0.81,3.41,-7.64,0,2,0, 140.182, 1
mid: mol2, SDF, SMILES, flexibase
1.39,3.34,-16.95,1,2,0, 140.182, 1

Similar to: 34597087, 15977263,
21981780
 
#19

Anward: ANW-16203
Ark Pharm Building Blocks: AK-39820
BePharm Building Blocks: B65420
Capot Chemical: 5406
Fluorochem: 092862...8 total

ref: mol2, SDF, SMILES, flexibase
2.27,1.88,-17.87,1,2,0, 163.991, 0
mid: mol2, SDF, SMILES, flexibase
2.27,0.65,-7.55,1,2,0, 163.991, 0
mid: mol2, SDF, SMILES, flexibase
2.27,1.45,-31.81,0,2,-1, 162.983, 0

Similar to: 34354372,
6093719
 
#20

ChemMol: 97800646, 30113144, 44028719
eMolecules: 1175612
Molport: MolPort-000-004-386
AK Scientific: W4705
Angene Building Blocks: AGN-PC-0O838J...55 total

ref: mol2, SDF, SMILES, flexibase
1.12,0.34,-6.69,2,3,0, 134.138, 0
ref: mol2, SDF, SMILES, flexibase
1.12,1.13,-56.14,1,3,-1, 133.13, 0
mid: mol2, SDF, SMILES, flexibase
1.12,0.38,-10.98,2,3,0, 134.138, 0
2036729
 
#21

ChemMol: 96701117
Molport: MolPort-009-197-384
AK Scientific: Z5532
AKOS: AKOS003611445
Anward: ANW-59824...38 total

ref: mol2, SDF, SMILES, flexibase
2.61,2.98,-5.26,1,1,0, 150.202, 0
hi: mol2, SDF, SMILES, flexibase
2.61,3.73,-49.12,0,1,-1, 149.194, 0
54009856
 
#22

eMolecules: 502994, 487717
Molport: MolPort-001-769-208, MolPort-003-931-420
Acros Organics: 18958
ACT Chemical BB: ACT04187
AK Scientific: 4486AA...87 total

84317435
 
#23

Ark Pharm Building Blocks: AK-45026
Molport BB: MolPort-039-010-527
Synergy Scientific BB: SYNS47174
AKOS BB (make-on-demand): AKOS015910186
Bide Pharmatech BB (Depleted): BD47174...6 total

ref: mol2, SDF, SMILES, flexibase
-0.58,3.53,-33.12,2,5,0, 203.238, 5
mid: mol2, SDF, SMILES, flexibase
-0.58,2.91,-50.21,1,5,-1, 202.23, 5
84317434
 
#24

Molport BB: MolPort-039-010-538
Synergy Scientific BB: SYNS42616
Bide Pharmatech BB (Depleted): BD42616
Fluorochem (Depleted): 364305
ref: mol2, SDF, SMILES, flexibase
-0.59,0.67,-55.91,1,4,-1, 172.204, 4
lo: mol2, SDF, SMILES, flexibase
-0.59,2.14,-42.45,2,4,0, 173.212, 4
22114009
 
#25

AK Scientific: W4322
Aldrich CPR: CDS019465|ALDRICH
American Custom Chemicals Corp.: CCH0001359
Anward: ANW-49228
Apexmol Building Blocks: AM20070680...32 total

ref: mol2, SDF, SMILES, flexibase
0.03,1.15,-46.62,3,5,1, 217.289, 3
mid: mol2, SDF, SMILES, flexibase
0.03,-0.27,-7.01,2,5,0, 216.281, 3

Similar to: 21298238,
19168190
 
#26

eMolecules: 851356
Scientific Exchange (make on demand): F-235433
Acros Organics: 43315
Aldrich CPR: CDS009912|ALDRICH
Anward: ANW-51677...37 total

ref: mol2, SDF, SMILES, flexibase
-1.11,0.57,-38.6,4,4,1, 119.144, 4
mid: mol2, SDF, SMILES, flexibase
-1.11,0.01,-6.02,3,4,0, 118.136, 4
mid: mol2, SDF, SMILES, flexibase
-1.11,-0.17,-46.93,4,4,1, 119.144, 4
9144851
 
#27

ChemMol: 96700309, 44022269, 44012322
eMolecules: 1009036
AK Scientific: U001
AKOS: AKOS002676263, AKOS000265057, AKOS015995816
Aldrich CPR: CDS003714|ALDRICH...88 total

ref: mol2, SDF, SMILES, flexibase
-1.30,-1.76,-11.94,5,5,0, 126.119, 0

Similar to: 25492098,
84317427
 
#28

Molport BB: MolPort-039-063-828
Synergy Scientific BB: SYNS39982
PubChem: 66715514
SureChEMBL: SCHEMBL529260
ref: mol2, SDF, SMILES, flexibase
0.30,3.71,-69.06,3,6,0, 258.318, 4
mid: mol2, SDF, SMILES, flexibase
0.30,3.46,-50.72,2,6,-1, 257.31, 4
16929766
 
#29

ChemMol: 44007564
Acros Organics: 39950
AK Scientific: V5338, W4702
AKOS: AKOS000280735, AKOS015845096
American Custom Chemicals Corp.: ING0003185...85 total

ref: mol2, SDF, SMILES, flexibase
0.56,1.96,-11.51,2,4,0, 159.185, 5
ref: mol2, SDF, SMILES, flexibase
0.56,1.27,-5.9,2,4,0, 159.185, 5

Similar to: 38632756,
4237901
 
#30

eMolecules: 721081, 710004
Molport: MolPort-008-326-632
ACB Blocks: APY-0220
Acorn PharmaTech: ACN-S002497
Acros Organics: KM00316...62 total

ref: mol2, SDF, SMILES, flexibase
1.39,2.86,-31.34,3,3,1, 140.21, 1
mid: mol2, SDF, SMILES, flexibase
1.87,2.4,-25.55,4,3,1, 140.21, 1
mid: mol2, SDF, SMILES, flexibase
1.87,2.27,-5.09,3,3,0, 139.202, 1
mid: mol2, SDF, SMILES, flexibase
1.87,2.25,-5.44,3,3,0, 139.202, 1

Similar to: 12359789, 38220520, 39133935,
38541413
 
#31

Acorn PharmaTech: ACN-S003638
AK Scientific: W8000, W7842
Anward: ANW-50333, ANW-33948
Apexmol Building Blocks: AM20070549
APIChem: AC-9570...41 total

ref: mol2, SDF, SMILES, flexibase
1.27,2.98,-111.38,4,2,2, 144.262, 2
hi: mol2, SDF, SMILES, flexibase
1.27,1.83,-31.38,3,2,1, 143.254, 2

Similar to: 25695618, 38338240,
2583967
 
#32

ChemMol: 44027722, 30105574, 83603277
eMolecules: 2729883
Acros Organics: MO00831, 45158
AK Scientific: W8177
Angene Building Blocks: AGN-PC-0OHBZ5...40 total

ref: mol2, SDF, SMILES, flexibase
1.22,2.9,-6.53,1,2,0, 208.002, 0
ref: mol2, SDF, SMILES, flexibase
1.22,2.92,-4.65,1,2,0, 208.002, 0
mid: mol2, SDF, SMILES, flexibase
1.22,3.31,-31.37,2,2,1, 209.01, 0
1444556
 
#33

ChemMol: 30101568
eMolecules: 2425535
Molport: MolPort-002-230-021
AK Scientific: I018
AKOS: AKOS005439340...81 total

ref: mol2, SDF, SMILES, flexibase
5.94,8.77,-7.56,1,3,0, 359.665, 3
ref: mol2, SDF, SMILES, flexibase
5.94,8.77,-7.17,1,3,0, 359.665, 3

Similar to: 38497574, 38564982,
19690527
 
#34

Acorn PharmaTech: ACN-S003505
Acros Organics: 41616
Alfa-Aesar: A12970
Anward: ANW-33443
Ark Pharm Building Blocks: AK-72878...21 total

ref: mol2, SDF, SMILES, flexibase
1.36,0.53,-42.51,1,5,-1, 154.101, 1
mid: mol2, SDF, SMILES, flexibase
1.36,-0.25,-12.51,2,5,0, 155.109, 1

Similar to: 5161671,
152267
 
#35

ChemMol: 44005240, 1031591, 30110801, 97800255
eMolecules: 529189
Acorn PharmaTech: ACN-S004047
Acros Organics: 12788, AC12788
AKOS: AKOS000118806...93 total

ref: mol2, SDF, SMILES, flexibase
1.63,3.99,-50.09,0,2,-1, 141.171, 1

Similar to: 33806259,
157069
 
#36

ChemMol: 1031573, 44001322
eMolecules: 487433
Enolase via KEGG (EFI): C02595_1
Molport: MolPort-000-871-573
Scientific Exchange (make on demand): M-283451...129 total

ref: mol2, SDF, SMILES, flexibase
1.26,4.06,-45.75,0,2,-1, 141.171, 2
8698081
 
#37

ChemMol: 1032911, 30111077, 44006200
eMolecules: 495074
Molport: MolPort-001-767-609, MolPort-002-473-068
Acros Organics: 31958
AK Scientific: I225...71 total

ref: mol2, SDF, SMILES, flexibase
0.65,3.58,-25.29,1,5,0, 154.125, 1
hi: mol2, SDF, SMILES, flexibase
1.11,2.45,-43.87,0,5,-1, 153.117, 1
4272219
 
#38

ChemMol: 30110790, 1032319, 1033622, 44008001
eMolecules: 477037
Molport: MolPort-001-760-699
Acorn PharmaTech: ACN-S003613
Acros Organics: 38204...67 total

ref: mol2, SDF, SMILES, flexibase
1.06,0.48,-7.66,3,5,0, 154.125, 1

Similar to: 5161671,
1716582
 
#39

ChemMol: 44006910, 30110525, 51500650, 97801394, 83602854, 96706423
eMolecules: 23817340, 728666
Molport: MolPort-003-179-010, MolPort-000-001-274
A&J Pharmtech: AJ-00927
Acros Organics: 43736...91 total

ref: mol2, SDF, SMILES, flexibase
0.38,2.52,-48.16,3,4,0, 138.126, 1

Similar to: 19090245,
1591846
 
#40

ChemMol: 30106791, 44005549
Scientific Exchange (make on demand): Z-098441
AKOS: AKOS000121470
Aldrich CPR: T331708|ALDRICH
Anward: ANW-75032...65 total

ref: mol2, SDF, SMILES, flexibase
3.69,2.26,-6.75,0,3,0, 199.209, 2
hi: mol2, SDF, SMILES, flexibase
0.84,4.26,-65.74,7,10,1, 475.455, 5

Similar to: 31995700, 31995703, 34437547, 34485849, 39018989, ... 5 in total.
4552321
 
#41

ChemMol: 30111517, 97801093, 96705435
eMolecules: 1884998, 506122
Molport: MolPort-000-850-000
Scientific Exchange: T_01/0042
ACB Blocks: MIX-0250...85 total

ref: mol2, SDF, SMILES, flexibase
0.02,1.63,-41.97,1,7,-1, 156.077, 2
51270812
 
#42

ChemMol: 97804787, 30112439, 44007731, 51500116
eMolecules: 707145
ACB Blocks: MIX-0152
Acorn PharmaTech: ACN-S004284, ACN-S001536
AK Scientific: X7158...90 total

ref: mol2, SDF, SMILES, flexibase
0.29,1.64,-40.47,1,4,-1, 138.102, 1
hi: mol2, SDF, SMILES, flexibase
0.29,1.24,-100.46,0,4,-2, 137.094, 1
hi: mol2, SDF, SMILES, flexibase
0.64,2.99,-97.22,9,9,2, 424.484, 4

Similar to: 6382813,
54009803
 
#43

ChemMol: 44004671, 83601473, 1033158, 30105541, 97806490
eMolecules: 483101
Molport: MolPort-001-760-601
Acros Organics: 24105
AK Scientific: N213...102 total

ref: mol2, SDF, SMILES, flexibase
0.46,2.78,-76.91,1,4,-1, 138.102, 1
hi: mol2, SDF, SMILES, flexibase
0.46,2.37,-129.91,0,4,-2, 137.094, 1
52507513
 
#44

ChemMol: 44011717, 51500004, 42306994, 97801381, 30110444
eMolecules: 4354024
Molport: MolPort-000-003-942
ACT Chemical BB: ACT01569
Aldrich CPR: CDS013887|ALDRICH...67 total

ref: mol2, SDF, SMILES, flexibase
0.57,2.79,-84.29,1,4,-1, 138.102, 1

Similar to: 6524172,
4261952
 
#45

ChemMol: 1202431, 30101633, 83600532, 98000668, 1036859, 44002120
eMolecules: 484469
Scientific Exchange (make on demand): M-171926
Acorn PharmaTech: ACN-S003787
Acros Organics: 23307...78 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.3,-7.1,2,4,0, 156.116, 1

Similar to: 34553172, 38585287,
164646
 
#46

ChemMol: 1202430, 44003350, 30110369, 98000710, 1037056
eMolecules: 483776
Scientific Exchange (make on demand): F-415580
Acros Organics: 16839
AK Scientific: H631...72 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.13,-5.23,2,4,0, 156.116, 1

Similar to: 34555027,
1702288
 
#47

ChemMol: 51500644, 44003540, 30103766, 42307071
A&J Pharmtech: AJ-00379
AK Scientific: W6066
AKOS: AKOS002665641
Angene Building Blocks: AGN-PC-0KKP3G...59 total

ref: mol2, SDF, SMILES, flexibase
1.13,2.98,-55.26,0,3,-1, 136.13, 1

Similar to: 32134505,
2582042
 
#48

ChemMol: 96707823, 51501962, 30110497, 44020582, 97801122
eMolecules: 722523, 527802
Acros Organics: SB01942, 42942
AK Scientific: W5407, W9651
AKOS: AKOS015844280...122 total

ref: mol2, SDF, SMILES, flexibase
0.65,3.85,-45.53,0,3,-1, 136.13, 1
lo: mol2, SDF, SMILES, flexibase
0.65,4.3,-45.37,1,3,0, 137.138, 1
3852415
 
#49

ChemMol: 1036929, 44010158, 30101106
eMolecules: 492234
Acorn PharmaTech: ACN-S002615
Acros Organics: 24695
AKOS: AKOS000120351...74 total

ref: mol2, SDF, SMILES, flexibase
1.99,3.75,-4.85,2,4,0, 172.571, 1
330879
 
#50

ChemMol: 1032842, 44006507, 1201699, 51500020, 96705480
Acorn PharmaTech: ACN-S003290
Acros Organics: 36082
Aldrich CPR: CDS003090|ALDRICH
Alfa-Aesar: H31108...66 total

ref: mol2, SDF, SMILES, flexibase
2.07,0.68,-4.75,0,4,0, 172.571, 1
1680684
 
#51

ChemMol: 30105807, 44004877
eMolecules: 528090
Acros Organics: 12640
AK Scientific: L752
AKOS: AKOS000120767...90 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.21,-42.77,3,1,1, 122.191, 1
1651943
 
#52

ChemMol: 44031729, 30109658, 97801133
Molport: MolPort-001-826-675
Scientific Exchange: POD_08/0709
AKOS: AKOS003238481
Alfa-Aesar: B25299...53 total

ref: mol2, SDF, SMILES, flexibase
2.44,3.04,-10.72,0,5,0, 195.174, 3

Similar to: 5781912, 34478178, 39642344, 44198609, ... 4 in total.
19798345
 
#53

ChemMol: 51500241, 44009342, 30110584, 97801812, 1032746
eMolecules: 717461
Molport: MolPort-000-001-370
Acorn PharmaTech: ACN-S002051
Acros Organics: 36106...72 total

ref: mol2, SDF, SMILES, flexibase
1.00,1.75,-41.46,2,4,-1, 216.014, 1
hi: mol2, SDF, SMILES, flexibase
2.14,6.34,-94.81,7,7,2, 410.566, 4

Similar to: 4228123,
11764179
 
#54

ChemMol: 97805688, 44009622
eMolecules: 5415595
Molport: MolPort-006-068-948
Acros Organics: NP42936, 42936
AK Scientific: X0105...62 total

ref: mol2, SDF, SMILES, flexibase
0.39,1.89,-48.74,0,3,-1, 142.159, 1
145801
 
#55

ChemMol: 44002163, 30101708, 1031661, 97800644
eMolecules: 505131
ACB Blocks: MIX-0836
AKOS: AKOS000592865
Aldrich CPR: R257745|ALDRICH...90 total

ref: mol2, SDF, SMILES, flexibase
1.22,4.93,-94.4,0,4,-2, 170.145, 2

Similar to: 33806259,
36047177
 
#56

ChemMol: 1203459, 1032258, 98000722, 1033561, 30110815, 44003363, 96707610
eMolecules: 490434
Acros Organics: 24197
AK Scientific: H641
Alfa-Aesar: A12568...73 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.33,-6.71,1,4,0, 157.1, 1

Similar to: 164412,
36047178
 
#57

ChemMol: 1033824, 83600884, 30102059, 1201165, 98001259, 97800784, 1032234, 96707699, 44002410
eMolecules: 486130
Acros Organics: 30337
AKOS: AKOS005063849
Alfa-Aesar: A14350...74 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.37,-9.42,1,4,0, 157.1, 1

Similar to: 164886,
1706158
 
#58

ChemMol: 44013405
AK Scientific: H640
Alfa-Aesar: L08851
Angene Building Blocks: AGN-PC-0JLB51
Anward: ANW-21401...44 total

ref: mol2, SDF, SMILES, flexibase
1.75,4.28,-45.86,0,4,-1, 156.092, 1

Similar to: 38434103,
2040654
 
#59

ChemMol: 1033682, 44009058, 1032380, 98001372, 97800893, 1201166, 30109787
eMolecules: 499972
Alfa-Aesar: A13134
Angene Building Blocks: AGN-PC-0JK9A0
Anward: ANW-29362...64 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.14,-32.03,0,4,-1, 156.092, 1

Similar to: 39128301, 39128308, 39128319,
2244270
 
#60

ChemMol: 96701047, 97801683, 51500773, 44027193, 30108381, 44009261
eMolecules: 1846368
Molport: MolPort-000-003-905
Acorn PharmaTech: ACN-S004161
AK Scientific: R622...69 total

ref: mol2, SDF, SMILES, flexibase
0.58,2.41,-41.7,0,3,-1, 140.093, 1
4329304
 
#61

ChemMol: 44007252, 1036750, 30110379, 1201929, 98000844
eMolecules: 495364
Molport: MolPort-001-776-349
Acorn PharmaTech: ACN-S003713
Acros Organics: 39702...70 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.36,-5.28,2,4,0, 174.106, 1

Similar to: 38585287,
1646566
 
#62

ChemMol: 1032371, 44022515, 30115968, 1033674
Molport: MolPort-002-344-527
Acros Organics: 40489
AK Scientific: W7291
Aldrich CPR: S577219|ALDRICH...48 total

ref: mol2, SDF, SMILES, flexibase
2.26,0.47,-41.84,0,4,-1, 172.547, 1

Similar to: 39125411,
78157
 
#63

ChemMol: 97801728, 1033791, 30106444, 1032201, 44005347
eMolecules: 920007
Molport: MolPort-001-770-949
Acorn PharmaTech: ACN-S003425
AK Scientific: Q332...63 total

ref: mol2, SDF, SMILES, flexibase
2.28,2.91,-5.89,1,4,0, 173.555, 1
12341369
 
#64

eMolecules: 2065751
Molport: MolPort-002-113-913
AK Scientific: W7035
AKOS: AKOS001031984
Alinda Building Blocks: ALBB-013717...53 total

ref: mol2, SDF, SMILES, flexibase
1.03,6.12,-46.62,0,3,-1, 193.222, 1
lo: mol2, SDF, SMILES, flexibase
1.03,4.16,-7.31,1,3,0, 194.23, 1

Similar to: 12492097, 8075007,
332355
 
#65

ChemMol: 30115287, 1202564, 44011282, 2100929
eMolecules: 933867
Molport: MolPort-001-756-363
Acorn PharmaTech: ACN-S004233
Acros Organics: NP44275...89 total

ref: mol2, SDF, SMILES, flexibase
1.18,2.85,-42.95,0,3,-1, 200.999, 1

Similar to: 34529491,
2456171
 
#66

ChemMol: 51500611, 97801670, 44001261, 1032598, 30109569
Molport: MolPort-000-002-380
AK Scientific: X8238
Aldrich CPR: CDS004682|ALDRICH
Alfa-Aesar: H64258...69 total

ref: mol2, SDF, SMILES, flexibase
1.49,2.81,-53.08,0,3,-1, 200.999, 1
hi: mol2, SDF, SMILES, flexibase
1.62,5.59,-54.06,5,10,1, 465.534, 7
1596127
 
#67

ChemMol: 30109570, 1035864, 44030797
eMolecules: 485181
Acorn PharmaTech: ACN-S002035
Acros Organics: 15035
AK Scientific: L214...76 total

ref: mol2, SDF, SMILES, flexibase
2.66,0.99,-8.51,0,3,0, 202.007, 1
3866429
 
#68

ChemMol: 42307060, 44003309, 96706443, 51500687, 1201688, 30103579, 1033123
eMolecules: 728364
Molport: MolPort-000-002-381
A&J Pharmtech: AJ-00935
Acorn PharmaTech: ACN-S004354...87 total

ref: mol2, SDF, SMILES, flexibase
1.71,2.86,-42.01,0,3,-1, 200.999, 1
2566454
 
#69

ChemMol: 44015202, 30117158
eMolecules: 887192
Molport: MolPort-002-461-798
AK Scientific: W5719
AKOS: AKOS009462959...43 total

ref: mol2, SDF, SMILES, flexibase
2.82,0.49,-41.24,0,5,-1, 292.008, 2
39663
 
#70

Scientific Exchange (make on demand): POD_87/0038
AK Scientific: X5247
AKOS: AKOS000807562, AKOS002389300
American Custom Chemicals Corp.: CHM0025841
Anward: ANW-72914...50 total

ref: mol2, SDF, SMILES, flexibase
1.63,3.72,-8,1,4,0, 165.148, 2

Similar to: 8617556,
153933
 
#71

ChemMol: 30105534, 44016180, 98002030, 44004664
Molport: MolPort-001-770-100, MolPort-005-311-359
Scientific Exchange (make on demand): C-015933
TCM Database @ Taiwan: tcm03_003987
Acros Organics: 43293...115 total

ref: mol2, SDF, SMILES, flexibase
0.64,-0.32,-46.52,4,2,1, 124.163, 1

Similar to: 36458558,
12956316
 
#72

ChemMol: 44031897, 96706702
A&J Pharmtech: AJ-01262, AJ-03068
Adesis: 4-187
AK Scientific: W8211
Aldrich CPR: ADE000935|ALDRICH...36 total

ref: mol2, SDF, SMILES, flexibase
0.51,3.27,-20.68,2,3,0, 134.138, 0
lo: mol2, SDF, SMILES, flexibase
0.97,1.2,-31.69,3,3,1, 135.146, 0
lo: mol2, SDF, SMILES, flexibase
0.51,2.23,-9.64,3,3,0, 135.146, 0
152925
 
#73

ChemMol: 1035766, 1201675, 30100111, 44009730, 98000683, 83601095
eMolecules: 494981
Acros Organics: 24193
AK Scientific: L426
Alfa-Aesar: A11060...63 total

ref: mol2, SDF, SMILES, flexibase
2.15,3.19,-5.22,0,3,0, 159.091, 1
2557001
 
#74

ChemMol: 30108592, 98002858, 1035916, 44009781, 1202055
Molport: MolPort-001-777-316
Acorn PharmaTech: ACN-S004554
Acros Organics: 39734
AK Scientific: L120...61 total

ref: mol2, SDF, SMILES, flexibase
2.13,3.23,-11.27,0,3,0, 159.091, 1
2565580
 
#75

ChemMol: 97801460, 30109593, 98002867, 44009716, 1035733
AK Scientific: L036
Anward: ANW-35611
Apexmol Building Blocks: AM20050384
APIChem: AC-3243...42 total

ref: mol2, SDF, SMILES, flexibase
2.13,3.1,-10.95,0,3,0, 159.091, 1
1847543
 
#76

ChemMol: 98002859, 44009714, 30115089, 1035730
AK Scientific: W5666
AKOS: AKOS005216704
Angene Building Blocks: AGN-PC-0JL7YX
Anward: ANW-28050...38 total

ref: mol2, SDF, SMILES, flexibase
2.67,2.3,-4.69,0,3,0, 175.546, 1

Similar to: 34876027,
404428
 
#77

ChemMol: 30103085, 44032435, 1030196
Molport: MolPort-001-760-355
Acros Organics: 12137
AK Scientific: O404
AKOS: AKOS004907172...95 total

ref: mol2, SDF, SMILES, flexibase
0.46,-0.34,-50.22,4,3,1, 154.189, 2
586631
 
#78

ChemMol: 1035938, 98000724, 30109130, 44003346, 1202244, 97800409
Acros Organics: 30335
AK Scientific: L513
AKOS: AKOS000119938
Alfa-Aesar: A16183...58 total

ref: mol2, SDF, SMILES, flexibase
2.67,2.3,-4.74,0,3,0, 175.546, 1

Similar to: 39953717,
16158176
 
#79

ChemMol: 98002941, 44001254, 30109131
Angene Building Blocks: AGN-PC-0KNWT8
Anward: ANW-34816
Apexmol Building Blocks: AM61616
APIChem: AC-237...38 total

ref: mol2, SDF, SMILES, flexibase
2.64,5.86,-10.06,0,3,0, 175.546, 1

Similar to: 6091249,
1847554
 
#80

ChemMol: 1035444, 44007258, 1202243, 98001656
AK Scientific: L239
AKOS: AKOS015850022
Alfa-Aesar: A11400
Angene Building Blocks: AGN-PC-0JL7Y9...50 total

ref: mol2, SDF, SMILES, flexibase
2.67,2.29,-6.47,0,3,0, 175.546, 1

Similar to: 6091274, 34557540, 34876027,
1841425
 
#81

ChemMol: 1035901, 44008508, 1202058, 97802076, 98002314, 30110655
Acorn PharmaTech: ACN-S004432
AK Scientific: W4401
Alfa-Aesar: H32906
Angene Building Blocks: AGN-PC-0JLP2T...52 total

ref: mol2, SDF, SMILES, flexibase
2.67,2.29,-5.51,0,3,0, 175.546, 1
2526736
 
#82

ChemMol: 30115091, 1035443, 98002918, 44007243
AK Scientific: W4442
Angene Building Blocks: AGN-PC-0JLXPY
Anward: ANW-50214
Apexmol Building Blocks: AM20030343...43 total

ref: mol2, SDF, SMILES, flexibase
2.64,2.28,-8.91,0,3,0, 175.546, 1

Similar to: 6091274, 34876027,
345705
 
#83

ChemMol: 30112785, 51501438
AK Scientific: X8709
AKOS: AKOS005146125
Angene Building Blocks: AGN-PC-0JWMJD
Anward: ANW-70660...25 total

ref: mol2, SDF, SMILES, flexibase
2.07,0.85,-13.82,1,6,0, 211.173, 4
hi: mol2, SDF, SMILES, flexibase
1.64,5.12,-19.4,4,9,0, 391.435, 4

Similar to: 4220862, 44200663,
39488
 
#84

ChemMol: 1201703, 97806560, 30107412, 44005921
eMolecules: 499335
Molport: MolPort-000-003-524
Acros Organics: 37879
ACT Chemical BB: ACT02438...70 total

ref: mol2, SDF, SMILES, flexibase
1.90,3.23,-37.67,0,3,-1, 190.993, 1
hi: mol2, SDF, SMILES, flexibase
5.18,10.58,-9.32,0,5,0, 400.869, 5
hi: mol2, SDF, SMILES, flexibase
5.18,11.22,-45.36,1,5,1, 401.877, 5
hi: mol2, SDF, SMILES, flexibase
5.18,10.99,-45.03,1,5,1, 401.877, 5
2563861
 
#85

ChemMol: 98002457, 30109808, 44009712, 1035440
Acorn PharmaTech: ACN-S001690
ACT Chemical BB: ACT12593
AK Scientific: X8178
Alfa-Aesar: H61494...47 total

ref: mol2, SDF, SMILES, flexibase
2.80,1.69,-4.49,0,3,0, 219.997, 1
2387727
 
#86

ChemMol: 97801851, 30109610, 1035757, 98002190, 44009728
eMolecules: 917431
Acorn PharmaTech: ACN-S001226, ACN-S004461
AK Scientific: X3089
Alfa-Aesar: H61807...56 total

ref: mol2, SDF, SMILES, flexibase
2.80,5.81,-6.26,0,3,0, 219.997, 1
2582087
 
#87

ChemMol: 1035441, 98001698, 30110797, 44003347, 1202075
Acros Organics: 38089
ACT Chemical BB: ACT00335
Alfa-Aesar: B22523
Angene Building Blocks: AGN-PC-0KK7QT...55 total

ref: mol2, SDF, SMILES, flexibase
2.80,1.61,-7.04,0,3,0, 219.997, 1
2516088
 
#88

ChemMol: 44009711, 30115099, 1035439, 98002828, 83603526
ACT Chemical BB: ACT07607
AK Scientific: W6340
AKOS: AKOS015835257
Alfa-Aesar: L15503...51 total

ref: mol2, SDF, SMILES, flexibase
2.80,1.73,-6.24,0,3,0, 219.997, 1
1706157
 
#89

ChemMol: 1202073, 44009729, 1035762, 98000779
eMolecules: 512274
Acros Organics: 11949
Alfa-Aesar: A11057
Angene Building Blocks: AGN-PC-0BXIE0...91 total

ref: mol2, SDF, SMILES, flexibase
2.06,5.23,-5.05,0,3,0, 141.101, 1
20446513
 
#90

ChemMol: 44019926
Molport: MolPort-020-002-533
Acros Organics: 43586
AK Scientific: X7064
AKOS: AKOS015900639...50 total

ref: mol2, SDF, SMILES, flexibase
1.20,3.86,-44.66,2,1,1, 138.165, 0
hi: mol2, SDF, SMILES, flexibase
1.20,2.37,-4.54,1,1,0, 137.157, 0
hi: mol2, SDF, SMILES, flexibase
0.48,2.91,-92.51,9,10,2, 436.52, 5

Similar to: 37860360,
2003983
 
#91

ChemMol: 44015324
AK Scientific: U500
Angene Building Blocks: AGN-PC-0JLB8W
Anward: ANW-52148
Apexmol Building Blocks: AM62575...35 total

ref: mol2, SDF, SMILES, flexibase
2.76,2.95,-4.47,0,3,0, 193.536, 1

Similar to: 34626282,
16158179
 
#92

ChemMol: 30115093, 44009772, 98002942
AK Scientific: W3690
Angene Building Blocks: AGN-PC-0MUBX2
Anward: ANW-64224
Apexmol Building Blocks: AM61794...37 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.74,-7.7,0,3,0, 193.536, 1

Similar to: 34368025,
403189
 
#93

ChemMol: 42306986, 44010878, 30100667
eMolecules: 512344
Molport: MolPort-000-002-891
Acorn PharmaTech: ACN-S004289
Acros Organics: MO07724...60 total

ref: mol2, SDF, SMILES, flexibase
2.35,0.13,-35.94,0,3,-1, 208.983, 1

Similar to: 34475767, 34604330,
21993883
 
#94

ChemMol: 30108340, 97802520, 44006273
AK Scientific: W6120
Alfa-Aesar: H54516
Angene Building Blocks: AGN-PC-0160HM
Anward: ANW-51108...40 total

ref: mol2, SDF, SMILES, flexibase
0.68,0.04,-17.36,2,6,0, 220.181, 2

Similar to: 34669729, 37010660, 37010675, 37022070, ... 5 in total.
4287726
 
#95

ChemMol: 30113909
Acros Organics: MO07323
AK Scientific: W8735
Aldrich CPR: CDS012997|ALDRICH
Angene Building Blocks: AGN-PC-0USKC1...31 total

ref: mol2, SDF, SMILES, flexibase
1.73,3.91,-43.75,0,3,-1, 167.115, 2
38174299
 
#96

ChemMol: 97602564, 1030358, 83601603, 44008414, 44034532, 30111611, 97800939, 30106378
eMolecules: 480699
Molport: MolPort-003-926-274, MolPort-002-317-303
Acorn PharmaTech: ACN-S003717
Acros Organics: 15810...375 total

ref: mol2, SDF, SMILES, flexibase
-0.55,-0.46,-123.51,6,2,2, 116.208, 0
hi: mol2, SDF, SMILES, flexibase
-0.55,-0.77,-38.84,5,2,1, 115.2, 0
38174297
 
#97

ChemMol: 44003478, 1030357, 30103662, 97800938, 44034532, 97602563, 30106282, 44015915, 30111611, 44005254
eMolecules: 480699
Molport: MolPort-002-499-289, MolPort-002-317-340, MolPort-003-926-274, MolPort-005-937-161
Acorn PharmaTech: ACN-S003608
Acros Organics: 24867...535 total

ref: mol2, SDF, SMILES, flexibase
-0.55,-0.46,-123.51,6,2,2, 116.208, 0
hi: mol2, SDF, SMILES, flexibase
-0.55,-0.85,-36.13,5,2,1, 115.2, 0
hi: mol2, SDF, SMILES, flexibase
0.92,3.85,-96.7,7,9,2, 421.505, 5
161414
 
#98

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,
388342
 
#99

ChemMol: 44001953, 1036153, 96707558, 30114428, 2000432, 97800196
eMolecules: 483663
Molport: MolPort-000-004-003
Acorn PharmaTech: ACN-S003421
Acros Organics: 16804...113 total

ref: mol2, SDF, SMILES, flexibase
-0.11,-0.26,-34.98,3,2,1, 116.184, 1

Similar to: 33791341,
391247
 
#100

ChemMol: 1035416, 1030642, 97800571, 30116943, 44024178, 44001670
Molport: MolPort-003-984-633
Acorn PharmaTech: ACN-S003454
Acros Organics: 44253
ACT Chemical BB: ACT09566...92 total

ref: mol2, SDF, SMILES, flexibase
0.10,1.52,-28.29,2,2,1, 116.184, 1

Similar to: 34604181, 34604183, 39042125, 39254188, 39254189, ... 5 in total.

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 = 544 ) limit 0,100

Smiles were