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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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8628578
 
#1

ChemMol: 96700160
eMolecules: 474875, 1867815
Scientific Exchange (make on demand): Z-016469
Acros Organics: 40025
AK Scientific: U862...109 total

ref: mol2, SDF, SMILES, flexibase
1.78,6.41,-10.79,1,2,0, 195.221, 0

Similar to: 38418448, 39244351, 39296378,
19826465
 
#2

Aldrich CPR: S345393|ALDRICH
Florida Heterocyclic Compounds: 3606
Molport BB: MolPort-001-816-278
Ryan Scientific BB: 073-48445
Sigma Aldrich (Building Blocks): 555843|ALDRICH...11 total

ref: mol2, SDF, SMILES, flexibase
1.68,5.7,-19.24,1,3,0, 207.273, 2

Similar to: 32232221, 34429458,
1641089
 
#3

ChemMol: 1032485, 1034072, 1034756, 1033785
eMolecules: 484972
Acros Organics: 17371
AKOS: AKOS000120953
Alfa-Aesar: A12586...76 total

ref: mol2, SDF, SMILES, flexibase
4.40,10.03,-4.17,0,0,0, 218.346, 3

Similar to: 32192521,
19143227
 
#4

eMolecules: 1221250
Molport: MolPort-001-932-781
AKOS: AKOS000613527
Asinex: BAS00436530
Florida Heterocyclic Compounds: 3306...18 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.13,-10.06,1,5,0, 259.7, 3

Similar to: 197038,
19118778
 
#5

Florida Heterocyclic Compounds: 3305
TimTec: ST50985706
Alfa Chemistry (Depleted): ACM111184646
ChemDB: 4664425
PubChem: 40458020...6 total

ref: mol2, SDF, SMILES, flexibase
2.91,5.24,-9.96,1,5,0, 304.151, 3
19170090
 
#6

Florida Heterocyclic Compounds: 3192
ChemDB: 4664343
PubChem: 142223
Ambinter: Amb10554052
ref: mol2, SDF, SMILES, flexibase
0.98,2.14,-4.17,0,4,0, 192.266, 0
mid: mol2, SDF, SMILES, flexibase
0.98,3.71,-28.56,1,4,1, 193.274, 0
19934360
 
#7

Molport: MolPort-002-474-635
Florida Heterocyclic Compounds: 3002
Life Chemicals: F2189-0189
Life Chemicals Building Blocks: F2189-0189
Mcule: MCULE-3061597534...12 total

ref: mol2, SDF, SMILES, flexibase
2.34,4.2,-4.22,0,2,0, 194.665, 2

Similar to: 26513817, 40177195, 40177196,
19934358
 
#8

Molport: MolPort-002-474-635
Florida Heterocyclic Compounds: 3002
Life Chemicals: F2189-0189
Life Chemicals Building Blocks: F2189-0189
Mcule: MCULE-3061597534...12 total

ref: mol2, SDF, SMILES, flexibase
2.34,4.97,-5.51,0,2,0, 194.665, 2

Similar to: 19934360, 26513817, 40177195, 40177196, ... 6 in total.
18201386
 
#9

eMolecules: 3728717, 764917
Molport: MolPort-002-689-475, MolPort-002-474-625
Scientific Exchange (make on demand): POD_72/0911
AKOS: AKOS003231917
Florida Heterocyclic Compounds: 2984...25 total

ref: mol2, SDF, SMILES, flexibase
3.68,8.84,-14.91,1,3,0, 272.307, 2
mid: mol2, SDF, SMILES, flexibase
4.14,6.92,-51.8,0,3,-1, 271.299, 2

Similar to: 34619118, 2155069, 1323723, 5917320, 5917321, ... 7 in total.
5425416
 
#10

Bosche Scientific: M11690
Florida Heterocyclic Compounds: 2977
BOC Sciences BB (Depleted): 15805-10-4
PubChem: 85114
SureChEMBL: SCHEMBL501616...5 total

ref: mol2, SDF, SMILES, flexibase
2.55,3.27,-17.55,2,6,0, 250.265, 2
mid: mol2, SDF, SMILES, flexibase
2.55,3.4,-13.41,2,6,0, 250.265, 2
mid: mol2, SDF, SMILES, flexibase
2.55,3.39,-14.63,2,6,0, 250.265, 2
hi: mol2, SDF, SMILES, flexibase
2.55,3.14,-46.22,1,6,-1, 249.257, 2
hi: mol2, SDF, SMILES, flexibase
2.55,3.38,-46.05,1,6,-1, 249.257, 2
hi: mol2, SDF, SMILES, flexibase
2.55,3.29,-15.96,2,6,0, 250.265, 2

Similar to: 34423507, 34423509, 34616044,
56344
 
#11

eMolecules: 17065969, 3728554
Molport: MolPort-003-004-514, MolPort-002-474-541
Scientific Exchange (make on demand): F-249416
AKOS: AKOS001748157, AKOS005438924
Alinda: IBS-0001549...36 total

ref: mol2, SDF, SMILES, flexibase
2.06,4.15,-42.71,0,4,-1, 190.178, 2
2567797
 
#12

Molport: MolPort-002-474-488
AK Scientific: Y5433
Anward: ANW-61627
Ark Pharm Building Blocks: AK-38320
BePharm Building Blocks: B162899...19 total

ref: mol2, SDF, SMILES, flexibase
0.99,-2.4,-11.36,2,3,0, 172.187, 1

Similar to: 32199226, 32199229, 32223352, 34562812, ... 4 in total.
18286013
 
#13

Amidohydrolase AH-EFI: 2?-deoxyadenosine
ChemMol: 30103235, 44027874, 30103236, 44003126
eMolecules: 496942
Molport: MolPort-003-929-821
Acros Organics: 22672...194 total

ref: mol2, SDF, SMILES, flexibase
-1.97,-5.1,-22.79,4,7,0, 227.22, 2

Similar to: 33835487, 33956826, 34218923, 34610159, 34610160, ... 15 in total.
18286010
 
#14

American Custom Chemicals Corp.: CCH0008510
Bosche Scientific: D2495
Florida Heterocyclic Compounds: 2697
Labotest: LT00138055, LT00454746, LT00440996
Princeton BioMolecular Research: OSSK_578693...20 total

ref: mol2, SDF, SMILES, flexibase
-1.97,-5.87,-16.07,4,7,0, 227.22, 2

Similar to: 33835487, 33956826, 34218923, 34610159, 34610160, ... 15 in total.
21815562
 
#15

Ark Pharm Building Blocks: AK-66094
Chembo Pharma: KB-42524
Florida Heterocyclic Compounds: 2636
Matrix Scientific: 052949
ChemDB: 4663927...12 total

ref: mol2, SDF, SMILES, flexibase
3.00,5.28,-3.02,1,2,0, 229.121, 3

Similar to: 34551110, 36747520, 21813597, 21814255, 5284560, ... 5 in total.
18158601
 
#16

ChemMol: 96707816
eMolecules: 829640, 666501, 857706
Molport: MolPort-000-893-643
Scientific Exchange: POD_09/0048
Scientific Exchange (make on demand): R-096626...73 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.91,-12.6,1,3,0, 236.274, 2
ref: mol2, SDF, SMILES, flexibase
3.00,8.17,-10.06,0,3,0, 236.274, 2
mid: mol2, SDF, SMILES, flexibase
3.24,6,-8.71,1,3,0, 236.274, 2

Similar to: 25490827, 36450405, 36478145,
19300218
 
#17

ChemMol: 30110952, 30202686, 44011516
eMolecules: 7730340, 2895476
Molport: MolPort-002-791-781
Scientific Exchange (make on demand): X-048218
ACT Chemical BB: ACT07168...125 total

ref: mol2, SDF, SMILES, flexibase
-0.71,2.97,-5.92,2,3,0, 165.192, 3
12416739
 
#18

eMolecules: 25837552, 718139
Molport: MolPort-001-798-205
AK Scientific: 7516AC
AKOS: AKOS002937614
Aldrich CPR: S714615|ALDRICH...80 total

ref: mol2, SDF, SMILES, flexibase
2.25,3.63,-6.52,1,3,0, 165.192, 3
17885419
 
#19

Molport: MolPort-000-893-764
Scientific Exchange (make on demand): M-321740
AKOS: AKOS000312935
Chembo Pharma: KB-219741
Enamine Building Blocks: EN300-65929...40 total

ref: mol2, SDF, SMILES, flexibase
0.76,1.14,-40.12,0,4,-1, 175.167, 1

Similar to: 34538503,
19118467
 
#20

Molport: MolPort-001-791-417
Florida Heterocyclic Compounds: 2451
Labotest: LT00080772
Otava: 1055516
Specs Building Blocks: AC-907/25014244...5 total

ref: mol2, SDF, SMILES, flexibase
0.40,4.29,-33.46,3,2,1, 145.185, 0
19074717
 
#21

ChemMol: 1035624, 96700506, 30102915, 44002938, 2001052
eMolecules: 723910
Acros Organics: BTB10673
AK Scientific: L197
AKOS: AKOS000279069...125 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.63,-7.32,2,2,0, 144.177, 0

Similar to: 34427538, 38284751, 39269222, 39269224, ... 6 in total.
31829625
 
#22

Florida Heterocyclic Compounds: 2300
ChEMBL19: CHEMBL1969452
ChemDB: 4663703
PubChem: 362814, 36689155
ref: mol2, SDF, SMILES, flexibase
1.81,6.22,-17.3,0,3,0, 260.12, 3

Similar to: 1618895,
9439022
 
#23

eMolecules: 1427412
Molport: MolPort-002-474-189
AK Scientific: V6384, W3398
AKOS: AKOS009868050, AKOS000539941
Aldrich CPR: BBO000042|ALDRICH...76 total

ref: mol2, SDF, SMILES, flexibase
1.49,5.63,-16.76,1,2,0, 173.215, 0

Similar to: 34519384, 39280922, 40164072, 40164080, 40164100, ... 5 in total.
19934152
 
#24

Florida Heterocyclic Compounds: 2232
Key Organics Building Blocks: CS-10101, CS-10045
Innovapharm BB Make on Demand: BBV-00081343
ChemDB: 4663651
PubChem: 40534653...10 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.09,-5.1,0,2,0, 174.247, 2

Similar to: 19934251, 19934253, 26515909, 26515911, 34397651, ... 9 in total.
19934150
 
#25

Florida Heterocyclic Compounds: 2232
Key Organics Building Blocks: CS-10101, CS-10045
Innovapharm BB Make on Demand: BBV-00081343
ChemDB: 4663651
PubChem: 40534807...10 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.14,-5.23,0,2,0, 174.247, 2

Similar to: 19934152, 19934251, 19934253, 26515909, 26515911, ... 9 in total.
19328005
 
#26

Florida Heterocyclic Compounds: 2144
ChemDB: 4663582
PubChem: 3794574, 44887327
ref: mol2, SDF, SMILES, flexibase
-3.24,1.74,-24.88,0,5,1, 218.284, 1

Similar to: 6584681,
19300662
 
#27

eMolecules: 1978277
AKOS: AKOS002163668
Aldrich CPR: S140910|ALDRICH
BioBlocks: A1546/0067297
Chemical Block: A1546/0067297...23 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.12,-3.17,0,4,0, 262.353, 3
lo: mol2, SDF, SMILES, flexibase
1.63,3.71,-35.75,1,4,1, 263.361, 3

Similar to: 34556061, 35836728, 35861991, 38257967, ... 4 in total.
19300942
 
#28

eMolecules: 511791
AKOS: AKOS000271311
ChemDiv: 8002-9829
Element Store BB: b2star-5472-71-9
Enamine: Z44101853...36 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.92,-9.83,0,5,0, 218.26, 2

Similar to: 5377566,
25760569
 
#29

Element Store BB: b2star-461641-45-2
Florida Heterocyclic Compounds: 28954, 1925
Sigma Aldrich (Building Blocks): 469262|ALDRICH
AKOS BB (make-on-demand): AKOS015888867
ChemDB: 4663400...11 total

ref: mol2, SDF, SMILES, flexibase
2.80,6,-9.73,0,5,0, 294.358, 3

Similar to: 32600163, 32600165, 25760564, 4977606, 4977610, ... 7 in total.
25760564
 
#30

Element Store BB: b2star-461641-45-2
Florida Heterocyclic Compounds: 28954, 1925
Sigma Aldrich (Building Blocks): 469262|ALDRICH
AKOS BB (make-on-demand): AKOS015888867
ChemDB: 4663400...11 total

ref: mol2, SDF, SMILES, flexibase
2.80,6.27,-9.52,0,5,0, 294.358, 3

Similar to: 25760569, 32600163, 32600165,
509415
 
#31

eMolecules: 4431609
Molport: MolPort-002-562-987
AKOS: AKOS000673578
Florida Heterocyclic Compounds: 1875
IBScreen: STOCK2S-26963...15 total

ref: mol2, SDF, SMILES, flexibase
1.68,4.53,-8.94,1,4,0, 202.213, 3

Similar to: 32145675, 34615247,
18322955
 
#32

Florida Heterocyclic Compounds: 1842
ChemDB: 4663321
PubChem: 3775253
ref: mol2, SDF, SMILES, flexibase
5.31,9.66,-13.92,2,8,0, 446.518, 7
22937479
 
#33

Florida Heterocyclic Compounds: 1841
ChemDB: 4663320
PubChem: 3851385, 30741859
SureChEMBL: SCHEMBL1911546
ref: mol2, SDF, SMILES, flexibase
2.10,2.93,-12.72,0,10,0, 434.504, 5
mid: mol2, SDF, SMILES, flexibase
2.10,5.44,-38.97,1,10,1, 435.512, 5
mid: mol2, SDF, SMILES, flexibase
2.10,5.4,-37.96,1,10,1, 435.512, 5
22035878
 
#34

Florida Heterocyclic Compounds: 1841
ChemDB: 4663320
PubChem: 29963466, 3851385
SureChEMBL: SCHEMBL1911546
ref: mol2, SDF, SMILES, flexibase
2.10,3.29,-11.05,0,10,0, 434.504, 5
mid: mol2, SDF, SMILES, flexibase
2.10,5.86,-42.07,1,10,1, 435.512, 5
22035882
 
#35

Florida Heterocyclic Compounds: 1841
ChemDB: 4663320
PubChem: 29963470, 3851385
SureChEMBL: SCHEMBL1911546
ref: mol2, SDF, SMILES, flexibase
2.10,3.51,-20.58,0,10,0, 434.504, 5
mid: mol2, SDF, SMILES, flexibase
2.10,5.88,-52.14,1,10,1, 435.512, 5
32220464
 
#36

Florida Heterocyclic Compounds: 1829, 1838
ChemDB: 4663309, 4663317
PubChem: 600535, 40457240, 44887286, 3435189, 39451105
SureChEMBL: SCHEMBL15063194
Ambinter: Amb10553222...11 total

ref: mol2, SDF, SMILES, flexibase
2.01,5.66,-5.74,0,4,0, 249.31, 5

Similar to: 33968834, 34551047, 34591518, 34606546, 41806618, ... 22 in total.
32220463
 
#37

Florida Heterocyclic Compounds: 1829, 1838
ChemDB: 4663309, 4663317
PubChem: 600535, 40457241, 44887286, 3435189, 39451104
SureChEMBL: SCHEMBL15063194
Ambinter: Amb10553222...11 total

ref: mol2, SDF, SMILES, flexibase
2.01,5.6,-5.88,0,4,0, 249.31, 5

Similar to: 32220464, 33968834, 34551047, 34591518, 34606546, ... 27 in total.
18825333
 
#38

Molport: MolPort-002-473-805
Chembo Pharma: KB-52647
Florida Heterocyclic Compounds: 1792
Molport BB: MolPort-002-473-805
Sigma Aldrich (Building Blocks): SML0280|SIGMA...18 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.6,-9.22,2,4,0, 262.268, 0

Similar to: 33917476, 34031999, 34322083, 34335568, 38447132, ... 5 in total.
8579890
 
#39

ChemMol: 97800289, 2001048, 96700198, 44000854, 1035715, 30100568
eMolecules: 520174, 7533073
Molport: MolPort-003-986-116
Acorn PharmaTech: ACN-S003404
Acros Organics: 12189...174 total

ref: mol2, SDF, SMILES, flexibase
0.65,4.33,-15.71,1,2,0, 145.161, 0
lo: mol2, SDF, SMILES, flexibase
1.95,2.39,-30.88,2,2,1, 146.169, 0

Similar to: 39296378, 2583871,
8579298
 
#40

ChemMol: 30106059, 83603597, 97800317, 44005115, 2001085, 96700272
eMolecules: 32270981, 45485080
Molport: MolPort-001-572-853
Scientific Exchange (make on demand): M-171918
Acorn PharmaTech: ACN-P000952...290 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.55,-9.35,1,2,0, 145.161, 0

Similar to: 39244302, 3944941,
19170248
 
#41

Florida Heterocyclic Compounds: 1646
ChemDB: 4663169
PubChem: 143019
ref: mol2, SDF, SMILES, flexibase
0.60,0.55,-4.75,0,4,0, 168.244, 0
mid: mol2, SDF, SMILES, flexibase
0.60,2.1,-31.03,1,4,1, 169.252, 0
mid: mol2, SDF, SMILES, flexibase
0.60,2.09,-28.3,1,4,1, 169.252, 0
23379482
 
#42

Florida Heterocyclic Compounds: 1645
Innovapharm Make-on-Demand: VT-00681782
Otava (Virtual): 4570805
ChemDB: 4663168
Collaborative Drug Discovery: 6206...14 total

ref: mol2, SDF, SMILES, flexibase
0.68,1.95,-5.98,0,4,0, 172.228, 2

Similar to: 31554351, 32139318, 32139329, 32139367, ... 8 in total.
13515858
 
#43

eMolecules: 479284
Molport: MolPort-001-759-198
Scientific Exchange (make on demand): Z-029389
Acros Organics: 34883
Aldrich CPR: T161470|ALDRICH...66 total

ref: mol2, SDF, SMILES, flexibase
-0.34,2.03,-9.02,0,2,0, 95.101, 0
31947074
 
#44

Florida Heterocyclic Compounds: 1590
ChemDB: 4663122
PubChem: 421291, 49793443, 11277061, 36690917
SureChEMBL: SCHEMBL14675423, SCHEMBL14761736
Ambinter: Amb10553074...9 total

ref: mol2, SDF, SMILES, flexibase
-2.84,6.72,-28.47,0,2,1, 137.206, 1

Similar to: 39274960, 1719646, 388041, 19014797, ... 4 in total.
19170383
 
#45

Chembo Pharma: KB-220626
Florida Heterocyclic Compounds: 1520
ChemDB: 4663071
PubChem: 44887228, 3798878, 3798877
ref: mol2, SDF, SMILES, flexibase
1.59,2.92,-4.49,3,3,0, 221.087, 4
mid: mol2, SDF, SMILES, flexibase
1.59,2.7,-41.29,4,3,1, 222.095, 4
mid: mol2, SDF, SMILES, flexibase
1.59,3.47,-35.8,4,3,1, 222.095, 4

Similar to: 5784398,
5325068
 
#46

Florida Heterocyclic Compounds: 1506
ChemDB: 4663062
PubChem: 3252325
SureChEMBL: SCHEMBL918077
ref: mol2, SDF, SMILES, flexibase
1.10,3.11,-11.28,0,4,0, 172.18, 7
12341485
 
#47

eMolecules: 43049196
Molport: MolPort-002-473-565, MolPort-001-024-689
Scientific Exchange (make on demand): Z-093081
AKOS: AKOS000503115
Aldrich CPR: PH010671|ALDRICH...61 total

ref: mol2, SDF, SMILES, flexibase
2.41,1.63,-6.18,1,3,0, 151.165, 2
ref: mol2, SDF, SMILES, flexibase
2.41,1.78,-6.74,1,3,0, 151.165, 2
ref: mol2, SDF, SMILES, flexibase
1.59,1.85,-4.25,0,3,0, 151.165, 3

Similar to: 6281267,
18107015
 
#48

ChemMol: 44003879, 1201783, 97806725, 30104317, 42306988
eMolecules: 926654
Molport: MolPort-000-003-514, MolPort-001-549-770
AKOS: AKOS001021914
Aldrich CPR: PH010817|ALDRICH...79 total

ref: mol2, SDF, SMILES, flexibase
0.85,3.31,-17.1,1,2,0, 123.155, 0
5052967
 
#49

eMolecules: 32441694
American Custom Chemicals Corp.: CHM0155784
Florida Heterocyclic Compounds: 1374
Mcule: MCULE-7189737631
ChemDB: 4662976...11 total

ref: mol2, SDF, SMILES, flexibase
-0.02,0.54,-11.3,2,3,0, 148.165, 2
lo: mol2, SDF, SMILES, flexibase
-0.02,0.82,-29.28,3,3,1, 149.173, 2

Similar to: 16954992, 36458772, 44260408, 44261134, ... 4 in total.
5331152
 
#50

ChemMol: 96708119, 44020423
AK Scientific: 2743AC
Ark Pharm Building Blocks: AK112541
BePharm Building Blocks: B98958
Boerchem Pharmatech BB: BC639406...25 total

ref: mol2, SDF, SMILES, flexibase
1.64,4.45,-7.29,1,2,0, 132.166, 0
lo: mol2, SDF, SMILES, flexibase
1.64,4.7,-28.48,2,2,1, 133.174, 0
4536813
 
#51

eMolecules: 206842916
Molport: MolPort-001-765-549
Scientific Exchange (make on demand): Z-021839, M-034164
AK Scientific: K008
Alfa-Aesar: L02098...44 total

ref: mol2, SDF, SMILES, flexibase
1.01,1.98,-8.62,1,3,0, 149.149, 2
ref: mol2, SDF, SMILES, flexibase
1.28,2.43,-8.94,0,3,0, 149.149, 3
ref: mol2, SDF, SMILES, flexibase
1.01,3.38,-11.13,1,3,0, 149.149, 2
18272321
 
#52

ChemMol: 42301472
eMolecules: 1943376, 3763297
Molport: MolPort-001-592-121, MolPort-001-587-327
Scientific Exchange (make on demand): M-452205, M-364810
AKOS: AKOS000496188...53 total

ref: mol2, SDF, SMILES, flexibase
1.71,-1.77,-46.31,0,4,-1, 161.14, 1

Similar to: 34560584, 39318490,
157180
 
#53

ChemMol: 96713683
eMolecules: 477129
Molport: MolPort-001-766-704
Scientific Exchange (make on demand): POD_22/0694
Acros Organics: 17633...74 total

ref: mol2, SDF, SMILES, flexibase
0.91,1.69,-9.26,2,4,0, 162.148, 0
17970819
 
#54

ChemMol: 44009505, 42305460, 97801516, 96700948, 30110841
eMolecules: 835678
Scientific Exchange (make on demand): Z-044483, POD_14/0938
TCM Database @ Taiwan: tcm03_007230
Acorn PharmaTech: ACN-S003374...146 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.46,-10.77,1,3,0, 146.149, 0
hi: mol2, SDF, SMILES, flexibase
1.44,1.4,-44.99,0,3,-1, 145.141, 0

Similar to: 34604779,
18187630
 
#55

AK Scientific: V4741
AKOS: AKOS015850366
Anward: ANW-25865
Ark Pharm Building Blocks: AK129049
Bide Pharmatech BB: BD107822...43 total

ref: mol2, SDF, SMILES, flexibase
0.99,2.46,-9.86,2,4,0, 231.038, 0
hi: mol2, SDF, SMILES, flexibase
1.86,1.7,-36.44,1,4,1, 230.03, 0
hi: mol2, SDF, SMILES, flexibase
1.90,0.31,-40.97,1,4,-1, 230.03, 0
19205518
 
#56

Molport: MolPort-001-917-350
AKOS: AKOS000567677
Asinex: BAS00170309
Florida Heterocyclic Compounds: 1187
Labotest: LT00261485...24 total

ref: mol2, SDF, SMILES, flexibase
-4.04,0.17,-29.48,0,4,1, 155.225, 0

Similar to: 39242267,
19075763
 
#57

Amidohydrolase AH-EFI: 4-dimethylaminopyrid
ChemMol: 97804507, 1201379, 30103014, 96700301, 30202462, 96703683, 44003010
eMolecules: 478152
Acros Organics: 14827
ACT Chemical BB: ACT01613...282 total

ref: mol2, SDF, SMILES, flexibase
0.75,3.14,-4.61,0,2,0, 122.171, 1

Similar to: 39050639, 164674,
19118456
 
#58

ChemMol: 30105248, 44004492
eMolecules: 534292
Molport: MolPort-001-769-429
Acros Organics: 10358
AK Scientific: W6843...82 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.76,-4.89,2,2,0, 122.171, 0

Similar to: 39048555, 39051455,
5326306
 
#59

Molport: MolPort-028-912-471
Alinda: IBS-B0027181
Alinda Building Blocks: ALBB-027181
Element Store BB: b2star-207291-72-3
Florida Heterocyclic Compounds: 1063...25 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.23,-42.71,0,5,-1, 170.144, 3

Similar to: 14980372,
20436538
 
#60

eMolecules: 2723315
Molport: MolPort-002-473-355
AK Scientific: 3028AE
Ark Pharm Building Blocks: AK161469
Bide Pharmatech BB: BD172141...24 total

ref: mol2, SDF, SMILES, flexibase
0.55,1.54,-10.78,1,3,0, 135.17, 0

Similar to: 34380563, 34973792, 34973794,
20436526
 
#61

eMolecules: 2723315
Molport: MolPort-002-473-355
AK Scientific: 3028AE
Ark Pharm Building Blocks: AK161469
Bide Pharmatech BB: BD172141...27 total

ref: mol2, SDF, SMILES, flexibase
0.55,1.53,-8.87,1,3,0, 135.17, 0

Similar to: 34380563, 34973792, 34973794,
142824
 
#62

eMolecules: 474182
L99A/M102Q binders: ACETANILIDE
Scientific Exchange (make on demand): Z-078311
Acros Organics: 15081
AF ChemPharm: CP/2V-008...253 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.39,-8.79,1,2,0, 135.166, 1

Similar to: 2581651, 34396225,
19721231
 
#63

ChemMol: 1032591, 44011414, 97804656, 96705440
AK Scientific: W4950
AKOS: AKOS010631022
Aldrich CPR: SYX00280|ALDRICH
Angene Building Blocks: AGN-PC-07H7WW...57 total

ref: mol2, SDF, SMILES, flexibase
2.12,5,-3.88,0,2,0, 201.067, 1

Similar to: 2144277,
163377
 
#64

ChemMol: 30116660
eMolecules: 506173
Scientific Exchange (make on demand): R-064251
Acros Organics: 11674
AF ChemPharm: CP/8V-013...62 total

ref: mol2, SDF, SMILES, flexibase
0.95,3.88,-11.39,0,2,0, 124.139, 0

Similar to: 39347490,
152996
 
#65

eMolecules: 479292
Molport: MolPort-001-497-861
Scientific Exchange (make on demand): T-060946
TCM Database @ Taiwan: 29606
Acros Organics: 15933...440 total

ref: mol2, SDF, SMILES, flexibase
0.76,1.27,-8.69,2,2,0, 121.139, 1

Similar to: 34545530,
4528806
 
#66

ChemMol: 44016787
eMolecules: 206843042
L99A non-binders: BENZALDEHYDE-OXIME
Molport: MolPort-000-883-500
AK Scientific: R588...91 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.47,-5.63,1,2,0, 121.139, 1
ref: mol2, SDF, SMILES, flexibase
1.54,2.55,-3.29,0,2,0, 121.139, 2
ref: mol2, SDF, SMILES, flexibase
2.36,2.32,-5.07,1,2,0, 121.139, 1

Similar to: 33838556,
12866695
 
#67

eMolecules: 846595
Scientific Exchange (make on demand): Z-076370
AKOS: AKOS000307967
Aldrich CPR: S602906|ALDRICH
Alinda: IVK/8158349...41 total

ref: mol2, SDF, SMILES, flexibase
1.16,1.02,-5.79,1,3,0, 125.127, 1
9638365
 
#68

ChemMol: 30111283, 83601265, 44002761, 96700715, 51500098
eMolecules: 501304, 1971733
Molport: MolPort-002-473-089, MolPort-000-004-077
ACT Chemical BB: ACT08283
AK Scientific: N341...80 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.05,-12.44,1,2,0, 109.128, 0
8579638
 
#69

ChemMol: 83603651, 96700290, 44005385
eMolecules: 13122188, 714377, 3725699
Molport: MolPort-002-461-915, MolPort-002-472-997, MolPort-004-916-819
AKOS: AKOS000121150, AKOS000401579, AKOS000117992
Aldrich CPR: PH000309|ALDRICH...121 total

ref: mol2, SDF, SMILES, flexibase
0.32,0.47,-15.99,1,3,0, 124.143, 0

Similar to: 25491441, 39052122, 39052261,
19230648
 
#70

eMolecules: 3725850
Molport: MolPort-002-473-085
AKOS: AKOS000431604
Ark Pharm Building Blocks: AK123580
Chembo Pharma: KB-245775...25 total

ref: mol2, SDF, SMILES, flexibase
1.74,2.87,-4.11,1,2,0, 142.589, 1

Similar to: 5353804, 5769391,
19596906
 
#71

ChemMol: 44008424, 30111270
eMolecules: 519254
Molport: MolPort-016-579-060
A&J Pharmtech: AJ-02753
Acorn PharmaTech: ACN-S003853...81 total

ref: mol2, SDF, SMILES, flexibase
1.71,2.77,-4.14,2,2,0, 187.04, 0
19735096
 
#72

ChemMol: 30101314, 44008429
eMolecules: 517259
Scientific Exchange (make on demand): F-393158
Acorn PharmaTech: ACN-S003690
Acros Organics: 36088...80 total

ref: mol2, SDF, SMILES, flexibase
1.88,2.8,-5.08,2,2,0, 187.04, 0
8614604
 
#73

Molport: MolPort-002-473-073, MolPort-000-877-530
AKOS: AKOS000320471
Chembo Pharma: KB-250596
Chemstep: 20142, 18548
Florida Heterocyclic Compounds: 569...31 total

ref: mol2, SDF, SMILES, flexibase
-0.66,3.64,-21.61,1,5,0, 150.141, 0
hi: mol2, SDF, SMILES, flexibase
-0.21,2.54,-48.72,0,5,-1, 149.133, 0

Similar to: 39274251,
8698070
 
#74

ChemMol: 97802120, 30115613, 1032920, 44033278
eMolecules: 525653
Molport: MolPort-002-473-058, MolPort-000-874-963
Acorn PharmaTech: ACN-S003260
AK Scientific: W9237...75 total

ref: mol2, SDF, SMILES, flexibase
1.72,2.66,-8.92,1,2,0, 188.024, 0
3260388
 
#75

eMolecules: 1165190
Molport: MolPort-001-915-558
AKOS: AKOS000629650
Chembo Pharma: KB-225305
Enamine: Z56822474...15 total

ref: mol2, SDF, SMILES, flexibase
0.06,0.95,-14.72,1,3,0, 112.132, 0

Similar to: 39270337,
3199631
 
#76

ChemMol: 1031115, 1031116, 44019677, 96700609
eMolecules: 4859797, 926398
Molport: MolPort-002-853-442, MolPort-001-764-732
Scientific Exchange: POD_03/0540
Scientific Exchange (make on demand): Q-014033...115 total

ref: mol2, SDF, SMILES, flexibase
0.08,1.67,-9,0,3,0, 112.132, 0
ref: mol2, SDF, SMILES, flexibase
0.06,1.41,-13.66,1,3,0, 112.132, 0
mid: mol2, SDF, SMILES, flexibase
0.51,-0.57,-6.64,1,3,0, 112.132, 0
19944846
 
#77

Molport: MolPort-002-472-972
AK Scientific: 2266AF
Alinda Building Blocks: ALBB-014514
Capot Chemical: 19811
Chembo Pharma: KB-165827...25 total

ref: mol2, SDF, SMILES, flexibase
0.20,-1.02,-12.35,4,5,0, 138.13, 1

Similar to: 39050839, 4976322,
17946259
 
#78

ChemMol: 44005938, 30107439
eMolecules: 1860650
Molport: MolPort-003-800-749
AK Scientific: Z4020
AKOS: AKOS002261866...98 total

ref: mol2, SDF, SMILES, flexibase
0.94,1.7,-8.34,1,3,0, 142.183, 1
8579610
 
#79

eMolecules: 720748
Scientific Exchange (make on demand): POD_30/0017
AKOS: AKOS000304645
Alinda: IBS-0003691
American Custom Chemicals Corp.: CHM0020863...50 total

ref: mol2, SDF, SMILES, flexibase
1.61,0.33,-7.01,1,3,0, 111.1, 1
ref: mol2, SDF, SMILES, flexibase
1.61,1.41,-8.06,1,3,0, 111.1, 1
967325
 
#80

ChemMol: 83601477, 44008657, 1201364
eMolecules: 521853
Acros Organics: 12185
ACT Chemical BB: ACT07256
AK Scientific: P818...129 total

ref: mol2, SDF, SMILES, flexibase
0.65,1.11,-26.81,1,2,0, 95.101, 0
mid: mol2, SDF, SMILES, flexibase
0.65,-0.11,-5.21,1,2,0, 95.101, 0
hi: mol2, SDF, SMILES, flexibase
0.65,0.66,-40.82,0,2,-1, 94.093, 0
lo: mol2, SDF, SMILES, flexibase
-0.27,1.59,-41.63,1,2,1, 96.109, 0
19735874
 
#81

ChemMol: 1203130, 44001022, 51500759, 30108596, 97801378, 1033117
Molport: MolPort-001-769-336
A&J Pharmtech: AJ-01185, AJ-01087
Acros Organics: 42950
ACT Chemical BB: ACT04480...86 total

ref: mol2, SDF, SMILES, flexibase
1.54,1.87,-6.41,2,2,0, 128.562, 0
19143844
 
#82

ChemMol: 97804506, 1203206, 30101324, 44001742, 42305354, 42307630
eMolecules: 476593
Molport: MolPort-016-637-912, MolPort-019-922-342
Scientific Exchange (make on demand): POD_66/0847
A&J Pharmtech: AJ-02742...132 total

ref: mol2, SDF, SMILES, flexibase
1.50,2.07,-3.85,2,2,0, 173.013, 0
8737707
 
#83

ChemMol: 97806486, 1201363, 44008656, 96703550
eMolecules: 521835, 969449
Molport: MolPort-001-779-837
Acros Organics: 12184
ACT Chemical BB: ACT08592...258 total

ref: mol2, SDF, SMILES, flexibase
0.36,1.39,-12.19,1,2,0, 95.101, 0
8672866
 
#84

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
8698076
 
#85

ChemMol: 30111255, 44021446, 44008631
eMolecules: 481018
Molport: MolPort-000-874-409, MolPort-000-874-442
Acros Organics: 15939
AK Scientific: R794...81 total

ref: mol2, SDF, SMILES, flexibase
1.21,1.88,-9.33,1,2,0, 129.546, 0
18995549
 
#86

ChemMol: 44006455, 97800747, 30111080
eMolecules: 485992
Scientific Exchange (make on demand): POD_66/0849
Acros Organics: BTB07310
AK Scientific: N334...93 total

ref: mol2, SDF, SMILES, flexibase
2.24,2.78,-2.39,2,2,0, 251.909, 0
19800985
 
#87

ChemMol: 30100116, 44023682, 51502396
eMolecules: 1877283
AK Scientific: W8726
AKOS: AKOS000273467
Angene Building Blocks: AGN-PC-0JTWUA...61 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.94,-3.04,2,2,0, 251.909, 0
19721329
 
#88

ChemMol: 30108672, 44006447, 97803496, 83603688
Scientific Exchange (make on demand): F-452230
Acros Organics: 43791
AKOS: AKOS000113326
Aldrich CPR: CDS003338|ALDRICH...67 total

ref: mol2, SDF, SMILES, flexibase
2.11,2.63,-3.28,2,2,0, 207.458, 0

Similar to: 39263685,
8672844
 
#89

ChemMol: 44009371, 1032891
eMolecules: 889447
Molport: MolPort-002-472-914
AK Scientific: Y5041
Alfa-Aesar: L08309...59 total

ref: mol2, SDF, SMILES, flexibase
1.82,2.41,-10.47,1,2,0, 163.991, 0
hi: mol2, SDF, SMILES, flexibase
2.27,1.28,-32.86,0,2,-1, 162.983, 0
hi: mol2, SDF, SMILES, flexibase
0.67,-0.88,-16.99,6,12,0, 544.594, 12
8672861
 
#90

ChemMol: 30115579, 51502365
AK Scientific: Z4506, W3075
AKOS: AKOS015834981
Angene Building Blocks: AGN-PC-0O8C55
Anward: ANW-20618...54 total

ref: mol2, SDF, SMILES, flexibase
1.88,3.43,-17.55,1,2,0, 252.893, 0
ref: mol2, SDF, SMILES, flexibase
0.58,3.25,-7.45,0,2,0, 252.893, 0
ref: mol2, SDF, SMILES, flexibase
0.58,3.25,-7.48,0,2,0, 252.893, 0
mid: mol2, SDF, SMILES, flexibase
2.34,2.94,-28.75,0,2,-1, 251.885, 0
lo: mol2, SDF, SMILES, flexibase
2.34,-2.83,-35.11,2,2,1, 253.901, 0
31308455
 
#91

AsisChem: ASIS-0009
AsisChem Building Blocks: ASIS-0009
Florida Heterocyclic Compounds: 181
Tractus: TRA0155480
Alfa Chemistry (Depleted): ACM6302949...10 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.98,-3.14,0,1,0, 135.257, 0

Similar to: 1672780,
8672864
 
#92

ChemMol: 2101515, 30108670, 44008158, 2101942, 51503104
eMolecules: 531224
Molport: MolPort-003-801-098, MolPort-002-472-869
Scientific Exchange (make on demand): M-814750
ACT Chemical BB: ACT01784...111 total

ref: mol2, SDF, SMILES, flexibase
-0.34,0.03,-10.08,1,3,0, 96.089, 0
hi: mol2, SDF, SMILES, flexibase
0.11,-0.79,-40.61,0,3,-1, 95.081, 0
31667387
 
#93

Florida Heterocyclic Compounds: 69
ChemDB: 4662146
PubChem: 11275020, 36689264, 263074
SureChEMBL: SCHEMBL9127870, SCHEMBL7806781, SCHEMBL4613764, SCHEMBL8688830, SCHEMBL9503053
ref: mol2, SDF, SMILES, flexibase
0.94,1.02,-2.04,0,1,0, 93.557, 1

Similar to: 1632445,
15045247
 
#94

ChemMol: 44015363, 30116295
eMolecules: 24772842, 1949061, 43299375
Molport: MolPort-001-002-006, MolPort-004-805-059
AK Scientific: P161, 2489AD
AKOS: AKOS000291533...85 total

ref: mol2, SDF, SMILES, flexibase
-0.96,-0.45,-10.89,2,4,0, 85.066, 0
15768095
 
#95

Florida Heterocyclic Compounds: 3970
ChemDB: 4664923
PubChem: 12677870, 26787819, 5185690
ref: mol2, SDF, SMILES, flexibase
-2.37,7.23,-29.59,0,4,1, 229.259, 1
12416741
 
#96

ChemMol: 30102549
eMolecules: 481632, 26916020, 636936
Scientific Exchange (make on demand): POD_46/0447, Z-049937
Acros Organics: 16185
AK Scientific: S004...100 total

ref: mol2, SDF, SMILES, flexibase
3.14,5.69,-9.89,2,3,0, 212.252, 2
ref: mol2, SDF, SMILES, flexibase
2.77,3.39,-5.14,2,3,0, 212.252, 3
lo: mol2, SDF, SMILES, flexibase
2.77,4.42,-28.21,3,3,1, 213.26, 3
8729743
 
#97

eMolecules: 1960717
Molport: MolPort-002-475-288, MolPort-002-874-330
AK Scientific: 6924AA
AKOS: AKOS005070713
Anward: ANW-55676...29 total

ref: mol2, SDF, SMILES, flexibase
0.71,5.45,-28.33,1,6,0, 261.233, 3
hi: mol2, SDF, SMILES, flexibase
2.01,5.02,-39.78,0,6,-1, 260.225, 3

Similar to: 34591583,
18142915
 
#98

eMolecules: 493646, 206843734
Molport: MolPort-001-779-701, MolPort-003-665-058
Scientific Exchange (make on demand): POD_05/0674, X-045173
Acros Organics: 43778
AKOS: AKOS004910138...78 total

ref: mol2, SDF, SMILES, flexibase
3.47,7.78,-5.42,0,1,0, 181.238, 2
ref: mol2, SDF, SMILES, flexibase
3.47,6.98,-5.84,0,1,0, 181.238, 2
lo: mol2, SDF, SMILES, flexibase
3.47,7.42,-32.28,1,1,1, 182.246, 2
lo: mol2, SDF, SMILES, flexibase
3.47,8.14,-29.42,1,1,1, 182.246, 2
8612599
 
#99

ChemMol: 44001999
eMolecules: 1839248
Molport: MolPort-000-003-164, MolPort-002-041-506
AKOS: AKOS015950849
Angene Building Blocks: AGN-PC-0JO61J...54 total

ref: mol2, SDF, SMILES, flexibase
1.20,2.65,-11.4,1,2,0, 123.155, 0
19327420
 
#100

Florida Heterocyclic Compounds: 7825
ChemDB: 4667910
PubChem: 4585752
ref: mol2, SDF, SMILES, flexibase
2.17,6.68,-9.54,0,4,0, 236.363, 8
lo: mol2, SDF, SMILES, flexibase
2.17,7.98,-44.42,1,4,1, 237.371, 8

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 = 266 ) limit 0,100

Smiles were