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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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12405143
 
#1

ChemMol: 83601364
eMolecules: 206843992
Acros Organics: SPB02881
AK Scientific: Y9508
Alfa-Aesar: H58879...39 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.17,-5.37,3,4,0, 220.15, 3

Similar to: 34961492, 39712885, 2547296,
13464283
 
#2

Maybridge: BTB14457
PubChem: 25769177
ref: mol2, SDF, SMILES, flexibase
3.90,6.19,-4.65,2,2,0, 294.394, 2

Similar to: 32106667, 32106670, 4321566, 4321567, 4321569, ... 5 in total.
13464715
 
#3

eMolecules: 26485147
Molport: MolPort-002-897-001
Maybridge: CD10831
Maybridge Hit Finder: CD10831
BindingDB.org: 89065...10 total

ref: mol2, SDF, SMILES, flexibase
2.18,6.62,-17.04,2,8,0, 423.878, 6
ref: mol2, SDF, SMILES, flexibase
2.31,6.49,-45.93,3,8,1, 424.886, 7
13468254
 
#4

eMolecules: 26477266
Molport: MolPort-002-916-297
American Custom Chemicals Corp.: HCH0113452
Maybridge: RJF00358
ChemDB: 4774890...7 total

ref: mol2, SDF, SMILES, flexibase
4.51,11.55,-12.22,0,9,0, 495.754, 7
13465672
 
#5

Molport: MolPort-002-903-616
Maybridge: HTS13537
ref: mol2, SDF, SMILES, flexibase
5.75,11.74,-26.92,1,3,1, 364.519, 4
mid: mol2, SDF, SMILES, flexibase
5.75,12.13,-89.15,2,3,2, 365.527, 4
lo: mol2, SDF, SMILES, flexibase
5.75,12.79,-24.12,1,3,1, 364.519, 4
150223
 
#6

Asinex: BAS00780660
ChemBridge: 5627074
Maybridge: BTB02498
PubChem: 734525
ref: mol2, SDF, SMILES, flexibase
1.69,1.04,-11.99,0,4,0, 254.289, 1

Similar to: 4132850, 4132854,
9439022
 
#7

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.
1721795
 
#8

eMolecules: 1121572
Molport: MolPort-001-845-498
Scientific Exchange (make on demand): Z-092400
Aldrich CPR: S862177|ALDRICH
Maybridge: S12955...11 total

ref: mol2, SDF, SMILES, flexibase
4.01,10.47,-5.69,0,2,0, 236.318, 3

Similar to: 4973032, 16952568, 16952569,
102678
 
#9

eMolecules: 695813
Molport: MolPort-001-835-134
Scientific Exchange (make on demand): X-004074
AKOS: AKOS003409981
Aldrich CPR: R929042|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
2.28,5.41,-10.62,3,3,0, 193.275, 3

Similar to: 38476115,
113752
 
#10

Maybridge: SP00344
Apollo Scientific (Depleted): OR0634
ref: mol2, SDF, SMILES, flexibase
2.46,0.52,-92.34,1,5,0, 328.412, 6

Similar to: 19850252,
124901
 
#11

eMolecules: 721205
AK Scientific: Y7153
BioSynth: W-204903
BOC Sciences BB: 116493-07-3
Chembo Pharma: KB-81806...21 total

ref: mol2, SDF, SMILES, flexibase
3.59,1.12,-47.61,0,4,-1, 304.372, 4

Similar to: 44224717, 44248826,
4095756
 
#12

eMolecules: 723730
AK Scientific: Y9415
Chembo Pharma: KB-166723
Maybridge: BTB09138
NCI Plated 2007: 667063...25 total

ref: mol2, SDF, SMILES, flexibase
-3.74,-10.55,-50.84,5,6,0, 167.19, 4
1323598
 
#13

ChemMol: 83603427
eMolecules: 723680
AK Scientific: Y7107
AKOS: AKOS005070066
Anward: ANW-55828...42 total

ref: mol2, SDF, SMILES, flexibase
-0.08,5.34,-37.4,2,7,-1, 224.225, 2
826576
 
#14

Florida Heterocyclic Compounds: 15772
Labotest: LT00107974
Maybridge: XBX00343
Pharmeks: PHAR164234
Asinex (Depleted): BAS00415408...5 total

ref: mol2, SDF, SMILES, flexibase
4.28,2.11,-9.28,0,8,0, 374.393, 8
mid: mol2, SDF, SMILES, flexibase
4.28,1.94,-10.34,0,8,0, 374.393, 8
mid: mol2, SDF, SMILES, flexibase
4.46,0.82,-8.7,0,8,0, 374.393, 8

Similar to: 538569, 538580,
4339274
 
#15

ChemBridge: 5862387
Labotest: LT00014581
Maybridge: XBX00342
ref: mol2, SDF, SMILES, flexibase
5.00,1.94,-7.27,0,5,0, 355.434, 8
mid: mol2, SDF, SMILES, flexibase
5.00,1.76,-7.13,0,5,0, 355.434, 8

Similar to: 12370137,
2166972
 
#16

Molport: MolPort-002-927-314
Alfa-Aesar: H26341
Capot Chemical: 12897
Element Store BB: b2star-54322-32-6
Labotest: LT00159866...15 total

ref: mol2, SDF, SMILES, flexibase
2.47,2.55,-9.36,0,9,0, 269.213, 6

Similar to: 12370136,
129440
 
#17

eMolecules: 1064591
Molport: MolPort-001-817-313
Aldrich CPR: S541222|ALDRICH
Maybridge: XBX00296
TimTec: ST50547797...9 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.59,-130.63,0,4,-2, 234.251, 6
129439
 
#18

eMolecules: 1064591
Molport: MolPort-001-817-313
Aldrich CPR: S541222|ALDRICH
Maybridge: XBX00296
TimTec: ST50547797...9 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.41,-113.46,0,4,-2, 234.251, 6
91964
 
#19

eMolecules: 541472
Scientific Exchange (make on demand): POD_08/0253
Acros Organics: XBX00275, 39100
AK Scientific: Y8752
AKOS: AKOS000200642...92 total

ref: mol2, SDF, SMILES, flexibase
1.04,5.41,-52.58,0,5,-1, 218.188, 3

Similar to: 34220035, 34220036, 34220037, 34220038, 34567608, ... 9 in total.
1782766
 
#20

Asinex: BAS00558341
ChemBridge: 5147910
Innovapharm: STT-00207696
Maybridge: XBX00263
Otava: 0110830558...5 total

ref: mol2, SDF, SMILES, flexibase
3.79,2.85,-30.73,1,4,1, 289.399, 6

Similar to: 25501252,
129386
 
#21

ChemMol: 30201077
eMolecules: 887541
Molport: MolPort-001-792-816
AK Scientific: 4235AE
AKOS: AKOS000196535...45 total

ref: mol2, SDF, SMILES, flexibase
2.31,6.86,-44.48,0,3,-1, 193.222, 5

Similar to: 1259101, 6535535, 34475882, 38524156, 39253305, ... 7 in total.
129382
 
#22

ChemMol: 30201075
eMolecules: 1558015
Molport: MolPort-002-468-771
AK Scientific: 7514AD
AKOS: AKOS000118450...39 total

ref: mol2, SDF, SMILES, flexibase
2.27,1.23,-50.64,0,3,-1, 193.222, 5

Similar to: 36181836, 36195801, 36199340,
11536314
 
#23

eMolecules: 26479273
Molport: MolPort-002-927-290
Maybridge: XBX00219
Maybridge Hit Finder: XBX00219
ChemDB: 4788173...10 total

ref: mol2, SDF, SMILES, flexibase
2.72,1.69,-48.57,0,2,-1, 193.266, 2

Similar to: 12370133, 34530797, 8536278,
1680375
 
#24

ChemBridge: 5104312
Maybridge: XBX00215
NCI Plated 2007: 4737
ref: mol2, SDF, SMILES, flexibase
1.14,4.52,-56.27,1,2,1, 163.291, 0

Similar to: 39278475,
1532111
 
#25

eMolecules: 508637
Enolase via KEGG (EFI): C10996_1
Molport: MolPort-002-927-289
TCM Database @ Taiwan: tcm03_000379
AK Scientific: S346...49 total

ref: mol2, SDF, SMILES, flexibase
-0.79,1.93,-46.29,1,5,-1, 159.165, 4
lo: mol2, SDF, SMILES, flexibase
-0.79,-0.05,-9.55,2,5,0, 160.173, 4

Similar to: 38585156, 38585160, 38585164, 38585167, ... 4 in total.
56440
 
#26

Labotest: LT00154560
Maybridge: XBX00199
NCI Plated 2007: 8910
ref: mol2, SDF, SMILES, flexibase
3.02,1.43,-7.3,0,5,0, 267.325, 6
mid: mol2, SDF, SMILES, flexibase
3.02,1.13,-6.03,0,5,0, 267.325, 6

Similar to: 5285278, 5317489, 39127194,
129356
 
#27

eMolecules: 1011429, 25618927
Molport: MolPort-002-927-283
Scientific Exchange (make on demand): F-437204
Aldrich CPR: CDS018987|ALDRICH
American Custom Chemicals Corp.: CCH0008049...46 total

ref: mol2, SDF, SMILES, flexibase
-0.38,4.97,-37.7,2,3,0, 179.219, 4

Similar to: 34331148, 34419156, 34419157, 41722753, 41766508, ... 5 in total.
129353
 
#28

eMolecules: 1011429, 25618927
Molport: MolPort-002-927-283
Scientific Exchange (make on demand): F-437204
Aldrich CPR: CDS018987|ALDRICH
Ark Pharm Building Blocks: AK108251...44 total

ref: mol2, SDF, SMILES, flexibase
-0.38,4.97,-37.69,2,3,0, 179.219, 4

Similar to: 34331148, 34419156, 34419157, 41722753, 41766508, ... 5 in total.
129351
 
#29

eMolecules: 5796436
Molport: MolPort-002-927-282
Fluorochem: 395169
Maybridge: XBX00171
ChemDB: 4788162...9 total

ref: mol2, SDF, SMILES, flexibase
4.20,1.09,-50.63,0,3,-1, 294.113, 3

Similar to: 6520486,
129345
 
#30

eMolecules: 1941912
Chembo Pharma: KB-166695
Maybridge: XBX00168
Maybridge Building Blocks: XBX00168
Maybridge Hit Finder: XBX00168...10 total

ref: mol2, SDF, SMILES, flexibase
0.80,-2.22,-60.1,2,5,-1, 254.287, 6
999583
 
#31

eMolecules: 812340
AKOS: AKOS004114606
Chembo Pharma: KB-199121
Maybridge: XBX00165
Mcule: MCULE-9246727954...27 total

ref: mol2, SDF, SMILES, flexibase
5.23,-1.14,-45.68,0,3,-1, 406.053, 2

Similar to: 5863093, 32265235, 41655229, 41656027, ... 4 in total.
4401017
 
#32

eMolecules: 5796194
Molport: MolPort-001-738-831
Maybridge: XBX00150
NCI Plated 2007: 130105
ChEMBL12: CHEMBL578723...11 total

ref: mol2, SDF, SMILES, flexibase
3.21,-1.38,-25.5,3,3,1, 225.271, 1

Similar to: 5934980, 25501990, 32236115,
129301
 
#33

eMolecules: 773680
AKOS: AKOS000273151
Aldrich CPR: S987298|ALDRICH, S407941|ALDRICH
Alfa-Aesar: H50430
Chembo Pharma: KB-113873...40 total

ref: mol2, SDF, SMILES, flexibase
2.84,5.48,-34.65,2,2,1, 202.277, 2
hi: mol2, SDF, SMILES, flexibase
2.84,6.24,-31.23,1,2,0, 201.269, 2
129298
 
#34

Maybridge: XBX00114
ref: mol2, SDF, SMILES, flexibase
0.45,2.5,-40.56,3,4,1, 221.28, 6

Similar to: 34426247, 34426248,
129297
 
#35

Maybridge: XBX00114
ref: mol2, SDF, SMILES, flexibase
0.45,1.66,-37.52,3,4,1, 221.28, 6

Similar to: 34426247, 34426248,
129294
 
#36

Alfa-Aesar: L12370
Florida Heterocyclic Compounds: 10651
Labotest: LT00454536
Maybridge: XBX00113
NCI Plated 2007: 75643...5 total

ref: mol2, SDF, SMILES, flexibase
1.56,6.13,-39.43,1,3,1, 203.265, 2
129292
 
#37

Alfa-Aesar: L12370
Florida Heterocyclic Compounds: 10651
Labotest: LT00454536
Maybridge: XBX00113
ref: mol2, SDF, SMILES, flexibase
1.56,5.82,-44.06,1,3,1, 203.265, 2
129289
 
#38

Florida Heterocyclic Compounds: 4071
Labotest: LT00454898
Maybridge: XBX00107
NCI Plated 2007: 15446
ref: mol2, SDF, SMILES, flexibase
2.62,3.04,-37.34,1,2,1, 201.293, 2

Similar to: 39306949, 39859806, 39859807, 39859810, 39859811, ... 7 in total.
129286
 
#39

Florida Heterocyclic Compounds: 4071
Labotest: LT00454898
Maybridge: XBX00107
ref: mol2, SDF, SMILES, flexibase
2.62,3.02,-37.35,1,2,1, 201.293, 2

Similar to: 39306949, 39859806, 39859807, 39859808, 39859809, ... 9 in total.
4710263
 
#40

eMolecules: 1121254
Molport: MolPort-001-004-059
AKOS: AKOS000294755
Aldrich CPR: S931683|ALDRICH
Maybridge: XBX00106...19 total

ref: mol2, SDF, SMILES, flexibase
3.18,2.23,-50.69,0,5,-1, 268.248, 4

Similar to: 39281547, 1965151,
129277
 
#41

Florida Heterocyclic Compounds: 25702
Labotest: LT00114877
Maybridge: XBX00104
NCI Plated 2007: 89760, 109267
Asinex (Depleted): BAS00226360...6 total

ref: mol2, SDF, SMILES, flexibase
2.69,-1.55,-36.78,2,3,1, 244.314, 2
1712905
 
#42

ChemMol: 96707654
eMolecules: 528502
Molport: MolPort-001-787-696
AK Scientific: 2940AE
Alfa-Aesar: L08290...36 total

ref: mol2, SDF, SMILES, flexibase
2.26,1.42,-49.24,0,3,-1, 205.233, 6

Similar to: 2168376, 2168378, 2378750, 2378751, 2579947, ... 14 in total.
1560276
 
#43

eMolecules: 5796080
Molport: MolPort-002-927-268
Ark Pharm Building Blocks: AK-61052
FineTech: FT-0621505
Maybridge: XBX00047...9 total

ref: mol2, SDF, SMILES, flexibase
3.77,1.78,-52.2,0,3,-1, 247.314, 9

Similar to: 1594493, 1712905, 2168376, 2168378, 2378750, ... 17 in total.
2168378
 
#44

eMolecules: 982715
Molport: MolPort-001-787-625
Aldrich CPR: S826510|ALDRICH
Maybridge: XBX00045
TimTec: ST50555011...9 total

ref: mol2, SDF, SMILES, flexibase
4.28,1.9,-50.84,0,3,-1, 261.341, 10

Similar to: 2378750, 2378751, 2579916, 2579917, 2579918, ... 15 in total.
1594493
 
#45

ChemMol: 96707695, 30107761
eMolecules: 889473
Molport: MolPort-002-927-265
AK Scientific: 1616AC
AKOS: AKOS015965691...35 total

ref: mol2, SDF, SMILES, flexibase
2.76,1.54,-52.8,0,3,-1, 219.26, 7

Similar to: 1712905, 2168376, 2378750, 2378751, 2579916, ... 16 in total.
129190
 
#46

Molport: MolPort-002-927-253
Maybridge: XBX00010
ref: mol2, SDF, SMILES, flexibase
3.33,-1.47,-53.32,2,4,1, 334.443, 4
3120849
 
#47

eMolecules: 26479149
Molport: MolPort-002-927-247
Maybridge: XAX00165
ChemDB: 4788117
PubChem: 5704561...7 total

ref: mol2, SDF, SMILES, flexibase
3.40,7.33,-38.76,0,6,-1, 374.448, 4
8383741
 
#48

eMolecules: 26479197
Molport: MolPort-002-798-761
AKOS: AKOS005105993
American Custom Chemicals Corp.: HCH0082247
KeyOrganics: JS-0860...14 total

ref: mol2, SDF, SMILES, flexibase
6.23,-0.11,-13.27,0,5,0, 491.059, 5

Similar to: 2093297,
2556233
 
#49

eMolecules: 26479087
Molport: MolPort-002-885-223
AKOS: AKOS000417820
Aldrich CPR: R126705|ALDRICH
American Custom Chemicals Corp.: HCH0077254...16 total

ref: mol2, SDF, SMILES, flexibase
4.81,9.43,-34.93,0,5,-1, 407.905, 4
3120869
 
#50

eMolecules: 26479127
Molport: MolPort-002-927-239
Maybridge: XAX00145
AsisChem (Depleted): ACLSC-188082
ChemDB: 4788107...8 total

ref: mol2, SDF, SMILES, flexibase
4.59,9.57,-36.27,0,5,-1, 387.487, 4
2510366
 
#51

Molport: MolPort-002-885-214
AKOS: AKOS005108529
Aldrich CPR: R126586|ALDRICH
American Custom Chemicals Corp.: CHM0139603
KeyOrganics: JS-2193...13 total

ref: mol2, SDF, SMILES, flexibase
4.59,9.65,-43.29,0,5,-1, 387.487, 4
129085
 
#52

eMolecules: 5848694
Molport: MolPort-002-927-206
Maybridge: XAX00063
Otava (Virtual): 4471440
ChEMBL12: CHEMBL600515...10 total

ref: mol2, SDF, SMILES, flexibase
4.13,1.23,-38.23,2,3,1, 275.416, 4

Similar to: 7909242, 7909397, 31468076, 44514016, ... 4 in total.
1038945
 
#53

eMolecules: 5794710
Molport: MolPort-002-927-205
Maybridge: XAX00062
ChemDB: 4788065
PubChem: 2747605...6 total

ref: mol2, SDF, SMILES, flexibase
4.09,1.42,-34.94,2,3,1, 289.443, 4

Similar to: 7377665, 7377668, 7389301, 7389303, 25404843, ... 10 in total.
1038944
 
#54

eMolecules: 5794710
Molport: MolPort-002-927-205
Maybridge: XAX00062
ChemDB: 4788065
PubChem: 2747605...6 total

ref: mol2, SDF, SMILES, flexibase
4.09,1.33,-35.03,2,3,1, 289.443, 4

Similar to: 7377665, 7377668, 7389301, 7389303, 25404843, ... 10 in total.
129066
 
#55

eMolecules: 43448606
Molport: MolPort-002-070-347
Aldrich CPR: R278483|ALDRICH
American Custom Chemicals Corp.: CHM0009593
BOC Sciences BB: 22659-83-2...19 total

ref: mol2, SDF, SMILES, flexibase
2.80,2.31,-48.05,0,3,-1, 231.271, 3

Similar to: 31769178, 33845838, 36180410, 36196136, ... 4 in total.
129062
 
#56

eMolecules: 43447748
Molport: MolPort-002-927-195
Aldrich CPR: R277150|ALDRICH
Innovapharm Building Blocks: BBS-00006819
Maybridge: XAX00030...22 total

ref: mol2, SDF, SMILES, flexibase
2.05,1.86,-47.38,0,3,-1, 203.217, 3

Similar to: 31769178, 33845838, 36180410, 36196136, ... 4 in total.
129057
 
#57

eMolecules: 43446138
Acros Organics: 37248
Aldrich CPR: R277673|ALDRICH
American Custom Chemicals Corp.: CHM0015502
Bosche Scientific: E9907...32 total

ref: mol2, SDF, SMILES, flexibase
1.66,5.51,-46.76,0,4,-1, 219.216, 5

Similar to: 34847420, 36193824, 36193942, 36194257, 36194749, ... 11 in total.
61858
 
#58

eMolecules: 46198772, 43048379
Molport: MolPort-019-906-743
AK Scientific: 7127AD
AKOS: AKOS000267605
Aldrich CPR: JRD0202|ALDRICH...55 total

ref: mol2, SDF, SMILES, flexibase
1.67,6.92,-45.62,0,3,-1, 189.19, 3

Similar to: 2579342,
129045
 
#59

eMolecules: 43446980
American Custom Chemicals Corp.: CHM0022291
Fluorochem: 011133
KeyOrganics: MS-10600
Maybridge: XAX00025...22 total

ref: mol2, SDF, SMILES, flexibase
3.59,1.55,-46.33,0,3,-1, 257.309, 4
129010
 
#60

eMolecules: 723362
Acros Organics: TL01023
AK Scientific: W5303
Anward: ANW-47259
Ark Pharm Building Blocks: AK-32012...42 total

ref: mol2, SDF, SMILES, flexibase
0.47,3.47,-51.14,0,3,-1, 170.213, 2

Similar to: 39134618,
128994
 
#61

eMolecules: 725769
Aldrich CPR: CDS018499|ALDRICH
BioBlocks: A4008/0170900
Chembo Pharma: KB-66664
Chemical Block: A4008/0170900...30 total

ref: mol2, SDF, SMILES, flexibase
2.21,-0.79,-55.95,0,6,-1, 258.209, 3

Similar to: 36806439,
128980
 
#62

eMolecules: 723338
Acros Organics: TL00878
AK Scientific: 5386AE
Alfa-Aesar: B21533
Apollo Scientific: PC1298...31 total

ref: mol2, SDF, SMILES, flexibase
2.48,0.8,-53.68,0,4,-1, 232.19, 3

Similar to: 36749897,
128920
 
#63

ChemMol: 44020329
eMolecules: 518637
Scientific Exchange (make on demand): M-618758
AK Scientific: X3230
AKOS: AKOS001122155...67 total

ref: mol2, SDF, SMILES, flexibase
3.06,6.59,-50.18,0,3,-1, 201.201, 2
hi: mol2, SDF, SMILES, flexibase
3.01,6.62,-99.17,7,6,2, 456.656, 15

Similar to: 32265613, 32271971, 34233957, 34466348, 38221018, ... 6 in total.
366930
 
#64

eMolecules: 5848901
Molport: MolPort-002-832-078
Maybridge: TL00749
Maybridge Hit Finder: TL00749
Mcule: MCULE-4206501164...12 total

ref: mol2, SDF, SMILES, flexibase
0.44,4.41,-58.48,1,5,-1, 234.231, 5
128898
 
#65

eMolecules: 723266
AK Scientific: X0140
Anward: ANW-47950
Apexmol Building Blocks: AM84617
Apollo Scientific: PC7439TK...28 total

ref: mol2, SDF, SMILES, flexibase
2.74,2.38,-94.62,0,5,-2, 248.112, 4

Similar to: 37093711, 39953648,
167159
 
#66

ChemMol: 1035330, 98000515, 44002095, 97800178, 1200181, 30109988
eMolecules: 481369
Enolase via KEGG (EFI): C03076_1
Acros Organics: 16052
AKOS: AKOS000150899...99 total

ref: mol2, SDF, SMILES, flexibase
2.17,0.27,-43.57,0,2,-1, 214.038, 2

Similar to: 5763395, 32222741, 41669404,
128843
 
#67

ChemMol: 44015800, 98001162, 1031792
eMolecules: 507395
Acros Organics: 31194
AK Scientific: X4485
AKOS: AKOS015853409...54 total

ref: mol2, SDF, SMILES, flexibase
2.66,0.53,-52.18,0,2,-1, 265.001, 1
hi: mol2, SDF, SMILES, flexibase
2.05,3.12,-3.25,1,1,0, 165.176, 0
128838
 
#68

eMolecules: 485569
Scientific Exchange (make on demand): F-405573
AK Scientific: L569
AKOS: AKOS000119372
Alfa-Aesar: A13755...82 total

ref: mol2, SDF, SMILES, flexibase
1.41,5.6,-45.11,0,3,-1, 195.169, 4

Similar to: 33827564, 34227147, 41662765, 44201157, 44201158, ... 5 in total.
1908555
 
#69

eMolecules: 627593
Molport: MolPort-020-176-528, MolPort-023-225-025
AKOS: AKOS001606114
ChemBridge: 5546250
ChemDiv: 1502-1548...20 total

ref: mol2, SDF, SMILES, flexibase
3.67,0.7,-16.12,0,6,0, 323.333, 2

Similar to: 8701393, 8701395,
4395054
 
#70

eMolecules: 5335174
Molport: MolPort-002-927-127
AKOS: AKOS008009681
Maybridge: TB00033
Maybridge Hit Finder: TB00033...13 total

ref: mol2, SDF, SMILES, flexibase
2.77,-4.95,-47.21,2,4,1, 337.49, 5

Similar to: 12891165, 26319727,
1036020
 
#71

eMolecules: 1110865
Molport: MolPort-001-841-350
Maybridge: TB00021
ChemDB: 4787946
PubChem: 6976293...6 total

ref: mol2, SDF, SMILES, flexibase
2.89,-0.72,-47.53,3,5,1, 404.893, 5

Similar to: 34682643,
4395052
 
#72

eMolecules: 5825545
Molport: MolPort-002-927-125
Maybridge: TB00020
ChemDB: 4787945
PubChem: 2747491...6 total

ref: mol2, SDF, SMILES, flexibase
3.93,1.58,-38.61,2,3,1, 383.821, 4
4395051
 
#73

eMolecules: 5825543
Molport: MolPort-002-927-124
Maybridge: TB00019
ChemDB: 4787944
PubChem: 2747490...6 total

ref: mol2, SDF, SMILES, flexibase
4.37,0.29,-39.57,2,3,1, 382.286, 4
4395050
 
#74

eMolecules: 1110863
Molport: MolPort-001-841-349
Maybridge: TB00018
ChemDB: 4787943
PubChem: 7223676...6 total

ref: mol2, SDF, SMILES, flexibase
3.59,-0.59,-37.34,2,3,1, 353.87, 4
4395049
 
#75

eMolecules: 1068421
Molport: MolPort-001-820-627
Maybridge: TB00015
ChEMBL12: CHEMBL1480085
ChEMBL19: CHEMBL1480085...9 total

ref: mol2, SDF, SMILES, flexibase
4.72,12.97,-49.47,2,5,1, 390.507, 5
hi: mol2, SDF, SMILES, flexibase
4.72,11.1,-11.24,1,5,0, 389.499, 5
4395048
 
#76

eMolecules: 1068419
Molport: MolPort-001-820-626
Maybridge: TB00014
Maybridge Hit Finder: TB00014
ChemDB: 4787941...7 total

ref: mol2, SDF, SMILES, flexibase
5.05,12.75,-42.26,2,5,1, 382.528, 6
hi: mol2, SDF, SMILES, flexibase
5.05,10.97,-10.36,1,5,0, 381.52, 6

Similar to: 42738582,
128702
 
#77

Maybridge: TB00013
ref: mol2, SDF, SMILES, flexibase
2.85,0.15,-46.84,1,4,1, 317.434, 5

Similar to: 19924756, 23641581, 23787374, 25786379, ... 4 in total.
4395046
 
#78

Maybridge: TB00012
ref: mol2, SDF, SMILES, flexibase
3.08,-1.73,-45.73,1,5,1, 383.44, 6

Similar to: 15487028, 19880198, 23817958, 30924210, 30924215, ... 8 in total.
4395045
 
#79

Maybridge: TB00011
ref: mol2, SDF, SMILES, flexibase
2.04,-4.22,-54.55,2,7,1, 404.512, 7

Similar to: 16730348, 20230665, 25870890, 25872347, ... 4 in total.
4395044
 
#80

Maybridge: TB00010
ref: mol2, SDF, SMILES, flexibase
3.45,-3.18,-44.72,1,5,1, 381.905, 6

Similar to: 19924754, 21472939, 23813668, 25368398, 25408571, ... 16 in total.
1036009
 
#81

Maybridge: TB00009
ref: mol2, SDF, SMILES, flexibase
3.27,-2.8,-47.36,1,5,1, 361.487, 6

Similar to: 19880194, 35835713, 35835716,
128698
 
#82

Maybridge: TB00008
ref: mol2, SDF, SMILES, flexibase
2.82,-3.27,-47.43,1,5,1, 347.46, 6

Similar to: 19924752, 24244353, 24371791, 27954879, ... 4 in total.
128695
 
#83

Maybridge: TB00007
ref: mol2, SDF, SMILES, flexibase
3.16,0.6,-47.59,1,4,1, 345.85, 5

Similar to: 19880190,
128691
 
#84

Maybridge: TB00005
ref: mol2, SDF, SMILES, flexibase
1.33,2.16,-48.95,1,6,1, 330.408, 5

Similar to: 19924750, 26082455, 26082461,
128688
 
#85

Maybridge: TB00004
ref: mol2, SDF, SMILES, flexibase
2.21,1.01,-45.19,1,5,1, 301.366, 5

Similar to: 15259224, 19924748, 23640752, 26144916, 44508920, ... 5 in total.
128686
 
#86

Maybridge: TB00003
ref: mol2, SDF, SMILES, flexibase
2.71,2.15,-45.62,1,4,1, 347.385, 5

Similar to: 19924746,
128683
 
#87

Maybridge: TB00002
ref: mol2, SDF, SMILES, flexibase
2.48,0.73,-45.98,1,4,1, 311.405, 5

Similar to: 19880186, 23641483, 23642179, 25059054, 25059076, ... 6 in total.
6512100
 
#88

Maybridge: SW00119
NCI Plated 2007: 201653
ref: mol2, SDF, SMILES, flexibase
2.55,0.27,-51.47,1,5,1, 367.926, 8
1735783
 
#89

Maybridge: SW00099
NCI Plated 2007: 201883
ref: mol2, SDF, SMILES, flexibase
1.16,2.3,-54.58,1,6,1, 321.36, 6

Similar to: 20230659, 33826249,
4395033
 
#90

Maybridge: SW00051
ref: mol2, SDF, SMILES, flexibase
2.90,2.63,-46.89,1,5,1, 312.393, 5

Similar to: 16608978, 16608980, 20230652,
1736240
 
#91

Maybridge: SW00047
NCI Plated 2007: 202121
ref: mol2, SDF, SMILES, flexibase
1.67,3.01,-42.74,1,5,1, 272.328, 5

Similar to: 20230647,
1735974
 
#92

Maybridge: SW00045
NCI Plated 2007: 202067
ref: mol2, SDF, SMILES, flexibase
2.40,3,-46.13,1,5,1, 320.372, 6
1863
 
#93

ChemMol: 30101246
eMolecules: 593100
Enolase via KEGG (EFI): C07356_1
Acros Organics: SS00042
Anward: ANW-63377...133 total

ref: mol2, SDF, SMILES, flexibase
3.75,8.5,-48.54,0,4,-1, 292.314, 5

Similar to: 32205518, 49643479,
128589
 
#94

eMolecules: 1110845
Molport: MolPort-001-841-340
American Custom Chemicals Corp.: CHM0226766
Maybridge: SS00030
Otava (Virtual): 5612807...9 total

ref: mol2, SDF, SMILES, flexibase
2.00,-1.42,-41.23,2,4,1, 260.361, 3
4347361
 
#95

eMolecules: 1110843
Molport: MolPort-001-841-339
Maybridge: SS00029
UORSY Make-on-demand: PB52604014
ChemDB: 4787893...7 total

ref: mol2, SDF, SMILES, flexibase
3.57,-2.9,-45.65,2,5,1, 400.446, 5

Similar to: 6415699, 7109232, 7109438, 7109467, 35744881, ... 7 in total.
4347355
 
#96

eMolecules: 1110841
Molport: MolPort-001-841-338
Maybridge: SS00028
Otava (Virtual): 9689411
ChEMBL12: CHEMBL1485704...12 total

ref: mol2, SDF, SMILES, flexibase
3.61,7.99,-46.39,2,5,1, 360.503, 5

Similar to: 5392641, 5729462, 7109202, 7109211, 7109212, ... 24 in total.
360001
 
#97

eMolecules: 1068409
Molport: MolPort-001-820-621
Scientific Exchange (make on demand): M-240872
AKOS: AKOS000462444
ChemBridge: 7657370...25 total

ref: mol2, SDF, SMILES, flexibase
2.08,-1.16,-41.97,2,5,1, 286.355, 3

Similar to: 3036121, 11570323, 11949447, 25422118, 25504704, ... 7 in total.
118826
 
#98

eMolecules: 660120
Scientific Exchange (make on demand): C-053495
AKOS: AKOS000647321
Aldrich CPR: R649767|ALDRICH
Innovapharm: STT-00255423...21 total

ref: mol2, SDF, SMILES, flexibase
2.72,7.7,-43.73,2,4,1, 302.423, 3
mid: mol2, SDF, SMILES, flexibase
2.72,5.35,-9.5,1,4,0, 301.415, 3

Similar to: 11570324,
128584
 
#99

eMolecules: 1068407
Molport: MolPort-001-820-620
AKOS: AKOS005237466
ChemBridge: 9276516
Maybridge: SS00025...16 total

ref: mol2, SDF, SMILES, flexibase
2.86,-4.34,-43.81,2,5,1, 350.439, 4

Similar to: 7109193, 7109197, 7109200, 7109205, 7109217, ... 16 in total.
4347351
 
#100

eMolecules: 1068405
Molport: MolPort-001-820-619
ChemBridge: 9242174
Maybridge: SS00024
Mcule: MCULE-8562545511...15 total

ref: mol2, SDF, SMILES, flexibase
3.51,-5.84,-43.47,2,5,1, 411.345, 4

Similar to: 6350147, 7109224, 19880179, 35745018, ... 4 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 = 110 ) limit 0,100

Smiles were