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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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19929389
 
#1

eMolecules: 835331
AKOS: AKOS000266713
EvoBlocks: EB26888
Innovapharm: STT-00126507
Innovapharm Building Blocks: BBS-00002589...31 total

ref: mol2, SDF, SMILES, flexibase
3.31,7.04,-42.54,1,4,-1, 229.259, 3
18029685
 
#2

eMolecules: 1825194
Scientific Exchange (make on demand): M-199973
AKOS: AKOS001698427
ChemBridge: 7689938
IBScreen: STOCK4S-05611...22 total

ref: mol2, SDF, SMILES, flexibase
3.21,13.64,-12.87,2,5,0, 345.45, 6
54235657
 
#3

eMolecules: 45798126
AKOS: AKOS001018271
Innovapharm: STT-00025228
Life Chemicals: F0856-0349
Mcule: MCULE-7117540896...13 total

ref: mol2, SDF, SMILES, flexibase
3.47,9.4,-5.96,0,4,0, 288.372, 5
lo: mol2, SDF, SMILES, flexibase
-1.13,9.53,-26.28,1,4,1, 289.38, 6
38192995
 
#4

eMolecules: 617343, 2150605, 26403759
Molport: MolPort-002-086-830
Scientific Exchange (make on demand): M-498848
AKOS: AKOS000267719
Aldrich CPR: R264156|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
1.97,6.6,-43.2,0,4,-1, 213.253, 3
lo: mol2, SDF, SMILES, flexibase
1.97,4.7,-6.37,1,4,0, 214.261, 3
38192997
 
#5

eMolecules: 26403759, 617343, 2150605
Molport: MolPort-002-086-830
Scientific Exchange (make on demand): M-498848
AKOS: AKOS000267719
Aldrich CPR: R264156|ALDRICH...56 total

ref: mol2, SDF, SMILES, flexibase
1.97,6.57,-52.22,0,4,-1, 213.253, 3
lo: mol2, SDF, SMILES, flexibase
1.97,4.7,-10.34,1,4,0, 214.261, 3
38192996
 
#6

eMolecules: 617343, 2150605, 26403759
Molport: MolPort-002-086-830, MolPort-002-511-238
Scientific Exchange (make on demand): M-498848
AKOS: AKOS000267719
Aldrich CPR: R264156|ALDRICH...56 total

ref: mol2, SDF, SMILES, flexibase
1.97,6.57,-52.64,0,4,-1, 213.253, 3
lo: mol2, SDF, SMILES, flexibase
1.97,4.7,-10.36,1,4,0, 214.261, 3
38192998
 
#7

eMolecules: 617343, 2150605, 26403759
Molport: MolPort-002-511-238, MolPort-002-086-830
Scientific Exchange (make on demand): M-498848
AKOS: AKOS000267719
Aldrich CPR: R264156|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
1.97,6.61,-43.68,0,4,-1, 213.253, 3
lo: mol2, SDF, SMILES, flexibase
1.97,4.69,-6.4,1,4,0, 214.261, 3
19089056
 
#8

eMolecules: 835762
AK Scientific: HTS000460
AKOS: AKOS000266683
Alinda Building Blocks: ALBB-006661
Ark Pharm Building Blocks: AK106050...48 total

ref: mol2, SDF, SMILES, flexibase
2.72,6.57,-42.74,1,4,-1, 215.232, 3
441907
 
#9

eMolecules: 2018698
Molport: MolPort-001-495-933
Scientific Exchange (make on demand): T-015856
AKOS: AKOS001113197
Alinda: IVK/9089737...21 total

ref: mol2, SDF, SMILES, flexibase
2.42,-2.43,-14.8,3,4,0, 288.734, 4
1203204
 
#10

eMolecules: 2082052
Molport: MolPort-001-485-812
Scientific Exchange (make on demand): X-070454
AKOS: AKOS001598409
Alinda: IVK/9067577...22 total

ref: mol2, SDF, SMILES, flexibase
5.03,8.63,-8.97,1,3,0, 355.743, 5

Similar to: 6090473, 16021399,
11615993
 
#11

eMolecules: 15111121
Molport: MolPort-004-930-021
AKOS: AKOS002309006
IBScreen: STOCK6S-48674
Mcule: MCULE-5242083006...13 total

ref: mol2, SDF, SMILES, flexibase
2.64,-0.18,-42.73,2,7,1, 395.462, 4
36351114
 
#12

AKOS: AKOS002309155
Innovapharm: STT-00289228
Innovapharm Make-on-Demand: VT-00524155
TimTec Make-on-Demand: ST50772244
PBMR Labs (Depleted): PS_0930087...7 total

ref: mol2, SDF, SMILES, flexibase
1.13,11.67,-40.26,2,3,1, 406.3, 5
36351113
 
#13

eMolecules: 31294199
Molport: MolPort-004-833-045
AKOS: AKOS002309128
Innovapharm: STT-00289227
Mcule: MCULE-8006421784...13 total

ref: mol2, SDF, SMILES, flexibase
1.62,12.11,-37.59,2,3,1, 422.755, 5
33769966
 
#14

eMolecules: 2387135
Molport: MolPort-002-183-063, MolPort-002-371-382
AKOS: AKOS002309233, AKOS002187312
ChemBridge: 6074125
Innovapharm: STT-00289203...23 total

ref: mol2, SDF, SMILES, flexibase
1.44,11.95,-36.05,2,3,1, 378.304, 5
36351112
 
#15

AKOS: AKOS002309207
Innovapharm: STT-00289201
Innovapharm Make-on-Demand: VT-00524147
TimTec Make-on-Demand: ST50772217
PBMR Labs (Depleted): PS_0930084...7 total

ref: mol2, SDF, SMILES, flexibase
1.02,12,-38.09,2,3,1, 377.411, 6
36351111
 
#16

AKOS: AKOS002309206
Innovapharm: STT-00289200
Innovapharm Make-on-Demand: VT-00524146
TimTec Make-on-Demand: ST50772216
PBMR Labs (Depleted): PS_0930083...7 total

ref: mol2, SDF, SMILES, flexibase
0.32,11.05,-37.51,2,3,1, 327.404, 5

Similar to: 36351116,
11615991
 
#17

eMolecules: 15111119
Molport: MolPort-004-930-018
AKOS: AKOS002309029
IBScreen: STOCK6S-44733
Mcule: MCULE-5504749467...13 total

ref: mol2, SDF, SMILES, flexibase
2.47,-0.92,-43.27,2,7,1, 377.472, 4

Similar to: 42886314,
11690039
 
#18

eMolecules: 31294393
Molport: MolPort-004-929-897
AKOS: AKOS002309096
Mcule: MCULE-3152430817
Princeton BioMolecular Research: OSSK_856859...13 total

ref: mol2, SDF, SMILES, flexibase
3.56,0.19,-56.53,1,6,-1, 358.757, 3

Similar to: 11690040, 8555598, 8555630,
11690040
 
#19

eMolecules: 31294393
Molport: MolPort-004-929-897
AKOS: AKOS002309096
Mcule: MCULE-3152430817
Princeton BioMolecular Research: OSSK_856859...13 total

ref: mol2, SDF, SMILES, flexibase
3.56,0.18,-54.55,1,6,-1, 358.757, 3

Similar to: 8555598, 8555630, 11690039,
11615984
 
#20

eMolecules: 45808455
Molport: MolPort-004-929-892
AKOS: AKOS002309047
Innovapharm: STT-00289090
Life Chemicals: F3375-0359...14 total

ref: mol2, SDF, SMILES, flexibase
2.37,-2.98,-54.62,0,5,-1, 375.495, 5

Similar to: 11673860, 11675724, 11675731, 26424862, 26424865, ... 77 in total.
6661084
 
#21

eMolecules: 206998233
Molport: MolPort-002-657-932
AKOS: AKOS002309023
IBScreen: STOCK5S-96154
Mcule: MCULE-2924079685...13 total

ref: mol2, SDF, SMILES, flexibase
1.59,-2.24,-55.63,1,6,-1, 361.424, 5
6660837
 
#22

eMolecules: 206982743
Molport: MolPort-002-656-845
AKOS: AKOS002309022
IBScreen: STOCK5S-92698
Life Chemicals: F3375-0357...14 total

ref: mol2, SDF, SMILES, flexibase
1.59,-2.24,-57.74,1,6,-1, 361.424, 5
11615982
 
#23

eMolecules: 206990463
Molport: MolPort-004-929-891
AKOS: AKOS002308997
IBScreen: STOCK6S-57451
Mcule: MCULE-1687470972...11 total

ref: mol2, SDF, SMILES, flexibase
1.88,-0.72,-55.07,0,6,-1, 389.478, 5

Similar to: 33588527, 33588528,
6660706
 
#24

eMolecules: 206968125
Molport: MolPort-002-656-200
AKOS: AKOS002308996
IBScreen: STOCK5S-90689
Life Chemicals: F3375-0355...15 total

ref: mol2, SDF, SMILES, flexibase
1.16,-2.91,-55.84,0,6,-1, 344.397, 4

Similar to: 33584334,
11690034
 
#25

AKOS: AKOS002308977
Innovapharm Make-on-Demand: VT-00531953
TimTec Make-on-Demand: ST50772101
ChemDB: 7409982
PubChem: 4971300...7 total

ref: mol2, SDF, SMILES, flexibase
1.18,-3.05,-55.96,0,6,-1, 344.397, 4

Similar to: 33583815,
11690033
 
#26

eMolecules: 46397970
Molport: MolPort-004-929-889
AKOS: AKOS002308976
Mcule: MCULE-8264540794
Princeton BioMolecular Research: OSSK_856848...14 total

ref: mol2, SDF, SMILES, flexibase
1.45,-2.89,-57.31,0,6,-1, 358.424, 5

Similar to: 33588380,
6660781
 
#27

eMolecules: 206967005
Molport: MolPort-002-656-643
AKOS: AKOS002308959
IBScreen: STOCK5S-92045
Innovapharm: STT-00289083...14 total

ref: mol2, SDF, SMILES, flexibase
1.86,-2.08,-56.33,1,6,-1, 375.451, 6
13691327
 
#28

eMolecules: 2542193
Molport: MolPort-002-307-644
AKOS: AKOS002308938
ChemBridge: 9035830
IBScreen: STOCK6S-47537...15 total

ref: mol2, SDF, SMILES, flexibase
2.55,6.36,-53.83,1,7,-1, 339.306, 4
4600106
 
#29

eMolecules: 1021693
AKOS: AKOS002308937
Innovapharm: STT-00289041
Mcule: MCULE-3164838830
Princeton BioMolecular Research: OSSK_370973...14 total

ref: mol2, SDF, SMILES, flexibase
1.43,-1.4,-15.07,0,6,0, 281.289, 5

Similar to: 4600105,
4600105
 
#30

eMolecules: 1021693
AKOS: AKOS002308937
Innovapharm: STT-00289041
Mcule: MCULE-3164838830
Princeton BioMolecular Research: OSSK_370973...14 total

ref: mol2, SDF, SMILES, flexibase
1.43,-1.7,-13.25,0,6,0, 281.289, 5

Similar to: 4600106,
3205791
 
#31

eMolecules: 46369060
Molport: MolPort-004-833-057
AKOS: AKOS001027772
Mcule: MCULE-2845427091
UORSY: PB56875929...14 total

ref: mol2, SDF, SMILES, flexibase
4.41,0.94,-47.93,2,5,1, 415.542, 5

Similar to: 44667670, 44667671,
5214793
 
#32

AKOS: AKOS002308972
Innovapharm: STT-00288948
Innovapharm Make-on-Demand: VT-00524038
TimTec Make-on-Demand: ST50772051
PubChem: 16648370...5 total

ref: mol2, SDF, SMILES, flexibase
6.27,2.11,-10.34,0,4,0, 369.829, 5
5214792
 
#33

eMolecules: 31294173
Molport: MolPort-004-833-024
AKOS: AKOS002308956
Mcule: MCULE-7294936667
Vitas-M: STK952486...11 total

ref: mol2, SDF, SMILES, flexibase
5.59,2.26,-10.28,0,4,0, 335.384, 5

Similar to: 21936413,
5214612
 
#34

eMolecules: 31294139
Molport: MolPort-004-833-022
AKOS: AKOS002309086
American Custom Chemicals Corp.: CHM0262610
Innovapharm: STT-00288887...14 total

ref: mol2, SDF, SMILES, flexibase
4.86,5.49,-15.58,0,7,0, 354.362, 8
11565496
 
#35

eMolecules: 31293924
Molport: MolPort-002-460-351
AKOS: AKOS002309162
Innovapharm: STT-00288857
Mcule: MCULE-5168840443...12 total

ref: mol2, SDF, SMILES, flexibase
5.66,12.4,-17.69,1,7,0, 459.314, 6

Similar to: 11565497, 40147213, 40147217, 40147222, 40147241, ... 9 in total.
11565497
 
#36

eMolecules: 31294087
Molport: MolPort-002-460-369
AKOS: AKOS002309135
American Custom Chemicals Corp.: HCH0223945
Innovapharm: STT-00288855...13 total

ref: mol2, SDF, SMILES, flexibase
5.69,12.6,-15.44,1,7,0, 459.314, 6

Similar to: 40147213, 40147217, 40147222, 40147241, 40147248, ... 9 in total.
1220931
 
#37

eMolecules: 2111023
Molport: MolPort-002-172-478
AKOS: AKOS002309214
ChemBridge: 5853579
Life Chemicals: F0344-0886...18 total

ref: mol2, SDF, SMILES, flexibase
4.70,10.9,-16.91,1,6,0, 373.821, 5
hi: mol2, SDF, SMILES, flexibase
4.76,9.47,-40.18,0,6,-1, 372.813, 5

Similar to: 11551240, 11551999, 12017672, 26364500, 26366296, ... 5 in total.
1190990
 
#38

eMolecules: 25868796
Molport: MolPort-002-159-153
AKOS: AKOS001609448
ChemBridge: 5621788
ChemDiv: 1889-3952...14 total

ref: mol2, SDF, SMILES, flexibase
5.08,1.57,-14.63,1,6,0, 368.776, 5

Similar to: 4542781, 4542782, 4542785, 4542788, 4542790, ... 7 in total.
13719794
 
#39

eMolecules: 13332402
Molport: MolPort-004-930-324
AKOS: AKOS002307774
ChemBridge: 9103485
IBScreen: STOCK6S-50394...15 total

ref: mol2, SDF, SMILES, flexibase
3.34,8.33,-43.93,2,7,1, 411.917, 4
1453172
 
#40

eMolecules: 2242985
Molport: MolPort-002-270-756
AKOS: AKOS001696930
ChemBridge: 7816405
ChemDiv: 6835-5871...19 total

ref: mol2, SDF, SMILES, flexibase
5.51,10.38,-35.6,1,4,1, 403.285, 4
hi: mol2, SDF, SMILES, flexibase
5.51,9.45,-9.68,0,4,0, 402.277, 4
12192100
 
#41

eMolecules: 25886517
Molport: MolPort-002-173-017
AKOS: AKOS001610383
American Custom Chemicals Corp.: HCH0282994
ChemBridge: 5865805...26 total

ref: mol2, SDF, SMILES, flexibase
5.00,13.44,-50.43,0,5,-1, 447.508, 8

Similar to: 18246188,
18246188
 
#42

eMolecules: 25886517
Molport: MolPort-002-173-017
AKOS: AKOS001610383
American Custom Chemicals Corp.: HCH0282994
ChemBridge: 5865805...26 total

ref: mol2, SDF, SMILES, flexibase
5.00,13.44,-52.34,0,5,-1, 447.508, 8

Similar to: 12192100,
8765847
 
#43

eMolecules: 31294057
AKOS: AKOS002307893
Innovapharm: STT-00288711
Princeton BioMolecular Research: OSSK_475453
Vitas-M: STK952153...9 total

ref: mol2, SDF, SMILES, flexibase
4.20,2.61,-12.57,0,8,0, 438.509, 9

Similar to: 40147770, 40147771, 40147772,
8765846
 
#44

eMolecules: 31294057
AKOS: AKOS002307893
Innovapharm: STT-00288711
Mcule: MCULE-4085633294
Princeton BioMolecular Research: OSSK_475453...11 total

ref: mol2, SDF, SMILES, flexibase
4.20,2.57,-12.28,0,8,0, 438.509, 9

Similar to: 8765847, 40147770, 40147771, 40147772, ... 4 in total.
26786542
 
#45

eMolecules: 31294053
AKOS: AKOS002307838
Vitas-M: STK952146
Innovapharm Make-on-Demand: VT-00523305
TimTec Make-on-Demand: ST50771912...8 total

ref: mol2, SDF, SMILES, flexibase
3.77,13.43,-11.58,0,7,0, 394.456, 7

Similar to: 40147766, 40147767, 40147770, 40147771, 40147774, ... 15 in total.
26786546
 
#46

eMolecules: 31294053
AKOS: AKOS002307838
Mcule: MCULE-4391356477
Vitas-M: STK952146
Innovapharm Make-on-Demand: VT-00523305...12 total

ref: mol2, SDF, SMILES, flexibase
3.77,13.39,-11.43,0,7,0, 394.456, 7

Similar to: 40147770, 40147771, 40147774, 40147775, 40147776, ... 13 in total.
4311586
 
#47

eMolecules: 25947684
AKOS: AKOS002307722
ChemBridge: 7194043
IBScreen: STOCK3S-29084
Mcule: MCULE-5752161769...18 total

ref: mol2, SDF, SMILES, flexibase
3.48,2.82,-16.18,0,6,0, 320.304, 5
4152227
 
#48

eMolecules: 25901093
AKOS: AKOS001030943
ChemBridge: 6118181
ChemDiv: 4213-0032
Enamine: Z56826439...18 total

ref: mol2, SDF, SMILES, flexibase
4.00,3.84,-15.73,0,6,0, 309.277, 5

Similar to: 8200663, 8200666,
20392298
 
#49

eMolecules: 4604790, 30363057
Molport: MolPort-002-371-287
AKOS: AKOS002307219, AKOS005519646
IBScreen: STOCK4S-54460
Mcule: MCULE-8854093893...26 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.16,-54.36,1,5,-1, 250.255, 3

Similar to: 34040166, 34040167, 34044295, 34044296, 36460998, ... 8 in total.
20392300
 
#50

eMolecules: 4604790, 30363057
Molport: MolPort-002-371-287
AKOS: AKOS002307219, AKOS005519646
IBScreen: STOCK4S-54460
Mcule: MCULE-8854093893...26 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.11,-55.19,1,5,-1, 250.255, 3

Similar to: 34044295, 34044296, 36460998, 36460999, 40142497, ... 6 in total.
4618738
 
#51

eMolecules: 33409356, 4627296
AKOS: AKOS002184196, AKOS002307817
IBScreen: STOCK4S-77593
Innovapharm: STT-00288623
Mcule: MCULE-4087675833...19 total

ref: mol2, SDF, SMILES, flexibase
6.37,1.15,-12.29,1,6,0, 377.425, 5
9340994
 
#52

eMolecules: 4766925
Molport: MolPort-002-676-116
Scientific Exchange (make on demand): F-130273
AKOS: AKOS002307420
ChemBridge: 9112939...16 total

ref: mol2, SDF, SMILES, flexibase
1.16,8.32,-74.07,1,6,0, 354.765, 3
18063853
 
#53

eMolecules: 4766925
Molport: MolPort-002-676-116
Scientific Exchange (make on demand): F-130273
AKOS: AKOS002307420
ChemBridge: 9112939...16 total

ref: mol2, SDF, SMILES, flexibase
1.16,8.04,-72.94,1,6,0, 354.765, 3
20019203
 
#54

eMolecules: 7870307
Molport: MolPort-000-845-085
AKOS: AKOS002307653
ChemBridge: 9256521
IBScreen: STOCK6S-32340...17 total

ref: mol2, SDF, SMILES, flexibase
2.89,12.03,-41.02,3,8,1, 446.579, 6
mid: mol2, SDF, SMILES, flexibase
2.89,9.64,-9.31,2,8,0, 445.571, 6
mid: mol2, SDF, SMILES, flexibase
2.89,11.29,-39.34,3,8,1, 446.579, 6

Similar to: 31570991,
20019195
 
#55

eMolecules: 7870303
Molport: MolPort-000-859-651
AKOS: AKOS002307625
ChemBridge: 9110250
IBScreen: STOCK6S-33104...19 total

ref: mol2, SDF, SMILES, flexibase
1.11,7.87,-38.34,3,8,1, 370.481, 5
mid: mol2, SDF, SMILES, flexibase
1.11,7.96,-43.19,3,8,1, 370.481, 5
mid: mol2, SDF, SMILES, flexibase
1.11,5.57,-9.44,2,8,0, 369.473, 5

Similar to: 31570991,
13551153
 
#56

eMolecules: 30381955, 7870283
Molport: MolPort-000-844-554, MolPort-002-995-734
Scientific Exchange (make on demand): F-130153
AKOS: AKOS005561778, AKOS002307569
IBScreen: STOCK6S-42527...19 total

ref: mol2, SDF, SMILES, flexibase
-0.05,10.2,-15.69,3,9,0, 314.353, 3
hi: mol2, SDF, SMILES, flexibase
0.40,8.69,-60.33,2,9,-1, 313.345, 3
20019184
 
#57

eMolecules: 30375239, 7870277
Molport: MolPort-002-995-733, MolPort-000-851-695
AKOS: AKOS002307568
ChemBridge: 9266116
IBScreen: STOCK6S-37019...18 total

ref: mol2, SDF, SMILES, flexibase
1.23,9.94,-13.75,3,7,0, 312.377, 3
hi: mol2, SDF, SMILES, flexibase
1.69,8.28,-49.88,2,7,-1, 311.369, 3
13570493
 
#58

eMolecules: 7870269, 30382383
Molport: MolPort-002-995-732
Scientific Exchange (make on demand): F-130144
AKOS: AKOS002307539
IBScreen: STOCK6S-39514...17 total

ref: mol2, SDF, SMILES, flexibase
2.22,12.05,-13.36,3,6,0, 325.416, 4
hi: mol2, SDF, SMILES, flexibase
2.68,10.4,-50.76,2,6,-1, 324.408, 4
20019178
 
#59

eMolecules: 4764177, 30383389
Molport: MolPort-002-675-186, MolPort-019-906-479
AKOS: AKOS002307538
ChemBridge: 9219027
Fluorochem: 371476...21 total

ref: mol2, SDF, SMILES, flexibase
0.05,4.38,-15.14,4,7,0, 247.258, 4
hi: mol2, SDF, SMILES, flexibase
0.51,1.56,-58.02,3,7,-1, 246.25, 4
hi: mol2, SDF, SMILES, flexibase
0.51,1.53,-55.49,3,7,-1, 246.25, 4
20423480
 
#60

Scientific Exchange (make on demand): F-130136
AKOS: AKOS002307509
Innovapharm: STT-00288504
Innovapharm Make-on-Demand: VT-00491135
TimTec Make-on-Demand: ST50771758...6 total

ref: mol2, SDF, SMILES, flexibase
1.48,6.69,-14.08,4,6,0, 291.742, 4
hi: mol2, SDF, SMILES, flexibase
1.93,3.92,-53.91,3,6,-1, 290.734, 4
9926588
 
#61

eMolecules: 9048724, 27215564, 44221064
Molport: MolPort-007-957-957, MolPort-002-995-721
Scientific Exchange (make on demand): X-018346
AKOS: AKOS002307417, AKOS002154239
ChemBridge: 9107283...25 total

ref: mol2, SDF, SMILES, flexibase
1.97,3.26,-9.24,2,5,0, 248.311, 4
mid: mol2, SDF, SMILES, flexibase
1.97,3.09,-45.64,1,5,-1, 247.303, 4
hi: mol2, SDF, SMILES, flexibase
1.97,5.56,-45.77,1,5,-1, 247.303, 4

Similar to: 33114970,
9305699
 
#62

eMolecules: 4764049
Molport: MolPort-002-675-148
Scientific Exchange (make on demand): F-126086
AKOS: AKOS002307331
IBScreen: STOCK6S-25454...15 total

ref: mol2, SDF, SMILES, flexibase
0.43,6.17,-71.69,1,8,0, 362.382, 5
18063728
 
#63

eMolecules: 4764049
Molport: MolPort-002-675-148
Scientific Exchange (make on demand): F-126086
AKOS: AKOS002307331
IBScreen: STOCK6S-25454...15 total

ref: mol2, SDF, SMILES, flexibase
0.43,6.27,-71.31,1,8,0, 362.382, 5
18029997
 
#64

eMolecules: 4762843
Molport: MolPort-000-846-540
Scientific Exchange (make on demand): F-113848
AKOS: AKOS002307565
IBScreen: STOCK6S-24722...20 total

ref: mol2, SDF, SMILES, flexibase
1.48,7.09,-16.21,3,6,0, 289.364, 3

Similar to: 39357133, 39357134, 39357135, 39357136, ... 6 in total.
18029993
 
#65

eMolecules: 4762843
Molport: MolPort-000-846-540
Scientific Exchange (make on demand): F-113848
AKOS: AKOS002307565
IBScreen: STOCK6S-24722...20 total

ref: mol2, SDF, SMILES, flexibase
1.48,7.09,-16.21,3,6,0, 289.364, 3

Similar to: 39357133, 39357134, 39357135, 39357136, ... 6 in total.
9421138
 
#66

eMolecules: 6042985, 30375199
Molport: MolPort-002-997-449, MolPort-000-860-150
Scientific Exchange (make on demand): F-113659
AKOS: AKOS005553657, AKOS002307446
ChemBridge: 9104376...25 total

ref: mol2, SDF, SMILES, flexibase
3.71,8.17,-50.13,0,5,-1, 290.302, 2
mid: mol2, SDF, SMILES, flexibase
3.25,9.92,-36.98,2,5,1, 292.318, 2
lo: mol2, SDF, SMILES, flexibase
3.25,9.56,-15.1,1,5,0, 291.31, 2
10157396
 
#67

eMolecules: 30374587, 9052376
Molport: MolPort-000-851-256, MolPort-002-995-811
Scientific Exchange (make on demand): F-165360
AKOS: AKOS002307387, AKOS005552878
ChemBridge: 9151403...29 total

ref: mol2, SDF, SMILES, flexibase
3.39,8.9,-12.99,1,3,0, 250.301, 2
mid: mol2, SDF, SMILES, flexibase
3.85,6.93,-9.17,1,3,0, 250.301, 2

Similar to: 4949559, 4424040,
17832022
 
#68

eMolecules: 30375015, 9052334
Molport: MolPort-000-844-663, MolPort-005-912-345
Scientific Exchange (make on demand): F-165339
AKOS: AKOS005553308, AKOS002307357
IBScreen: STOCK6S-33486...20 total

ref: mol2, SDF, SMILES, flexibase
2.92,7.45,-14.79,1,3,0, 228.295, 1

Similar to: 34965033, 34965036, 4837907,
10157376
 
#69

eMolecules: 9052328, 30382013
Molport: MolPort-002-995-810, MolPort-005-974-487
Scientific Exchange (make on demand): F-165336
AKOS: AKOS002307356, AKOS005561980
IBScreen: STOCK6S-55064...20 total

ref: mol2, SDF, SMILES, flexibase
3.06,7.79,-16.1,1,5,0, 310.353, 4
10157357
 
#70

eMolecules: 30375685, 9052286
Molport: MolPort-000-858-679, MolPort-005-914-818
Scientific Exchange (make on demand): F-165315
AKOS: AKOS002307355, AKOS005554222
IBScreen: STOCK6S-39029...21 total

ref: mol2, SDF, SMILES, flexibase
2.73,7.46,-14.96,1,3,0, 228.295, 1

Similar to: 34965033, 34965036, 4837907,
13569126
 
#71

eMolecules: 9052270, 30412416
Molport: MolPort-000-847-013, MolPort-005-914-501
Scientific Exchange (make on demand): F-165306
AKOS: AKOS005631737, AKOS002307327
ChemBridge: 9119329...21 total

ref: mol2, SDF, SMILES, flexibase
2.96,9.24,-17.37,1,7,0, 364.434, 5
hi: mol2, SDF, SMILES, flexibase
3.42,8.08,-49.93,0,7,-1, 363.426, 5
9419044
 
#72

eMolecules: 4771382, 30379657
Molport: MolPort-000-842-424, MolPort-002-677-614
Scientific Exchange (make on demand): F-165299
AKOS: AKOS002307326, AKOS005559120
IBScreen: STOCK6S-29870...23 total

ref: mol2, SDF, SMILES, flexibase
2.85,7.15,-13.05,1,3,0, 216.284, 3
mid: mol2, SDF, SMILES, flexibase
3.31,5.23,-7,1,3,0, 216.284, 3

Similar to: 26517034,
10157336
 
#73

eMolecules: 30377755, 9052244
Molport: MolPort-005-914-514, MolPort-000-855-268
Scientific Exchange (make on demand): F-165291
AKOS: AKOS005558289, AKOS002307301
ChemBridge: 9119359...20 total

ref: mol2, SDF, SMILES, flexibase
2.79,7.49,-15.22,1,4,0, 266.3, 3
17832018
 
#74

eMolecules: 30379533, 9052238
Molport: MolPort-002-995-809, MolPort-000-848-755
Scientific Exchange (make on demand): F-165288
AKOS: AKOS005558859, AKOS002307300
ChemBridge: 9122151...23 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.21,-14.23,1,4,0, 266.3, 3
17832016
 
#75

eMolecules: 9052230, 30373835
Molport: MolPort-000-842-686, MolPort-002-995-808
Scientific Exchange (make on demand): F-165284
AKOS: AKOS005551857, AKOS002307275
ChemBridge: 9154023...24 total

ref: mol2, SDF, SMILES, flexibase
3.23,8.59,-12.45,1,3,0, 250.301, 2

Similar to: 4949559, 5731506,
13571047
 
#76

eMolecules: 9052222, 30376225
Molport: MolPort-000-849-947, MolPort-002-995-807
Scientific Exchange (make on demand): F-165280
AKOS: AKOS005554588, AKOS002307274
IBScreen: STOCK6S-34559...23 total

ref: mol2, SDF, SMILES, flexibase
2.52,8.56,-17.48,1,7,0, 350.407, 5
9048115
 
#77

eMolecules: 30380312, 7900096
Molport: MolPort-000-844-323, MolPort-002-997-478
Scientific Exchange (make on demand): F-152530
AKOS: AKOS002307531, AKOS005559715
ChemBridge: 9109391...24 total

ref: mol2, SDF, SMILES, flexibase
3.09,3.91,-45.2,1,5,-1, 288.286, 1

Similar to: 9476795,
9419849
 
#78

eMolecules: 30375409, 4773358
Molport: MolPort-002-678-259, MolPort-000-843-130
Scientific Exchange (make on demand): F-152527
AKOS: AKOS002307504, AKOS005553729
IBScreen: STOCK6S-30958...22 total

ref: mol2, SDF, SMILES, flexibase
1.87,3.05,-39.49,1,8,-1, 283.223, 2
10157255
 
#79

eMolecules: 9052034, 30377021
Molport: MolPort-000-857-290, MolPort-002-995-803
Scientific Exchange (make on demand): F-165175
AKOS: AKOS005555457, AKOS002307503
ChemBridge: 9123691...24 total

ref: mol2, SDF, SMILES, flexibase
2.07,1.67,-41.49,1,5,-1, 256.216, 1
9134668
 
#80

eMolecules: 4755208, 30373633
Molport: MolPort-002-672-276, MolPort-000-846-951
Scientific Exchange (make on demand): F-152524
AKOS: AKOS002307474, AKOS005551283
ChemBridge: 9108526...26 total

ref: mol2, SDF, SMILES, flexibase
1.91,1.61,-43.37,1,5,-1, 238.226, 1

Similar to: 10338995, 9051860,
9419623
 
#81

eMolecules: 30378981, 4772802
Molport: MolPort-002-678-076, MolPort-000-853-607
Scientific Exchange (make on demand): F-174984
AKOS: AKOS002307671, AKOS005558072
ChemBridge: 9145260...22 total

ref: mol2, SDF, SMILES, flexibase
4.98,9.1,-49.24,0,6,-1, 394.455, 5
9420085
 
#82

eMolecules: 4773914, 30380288
Molport: MolPort-000-845-830, MolPort-002-678-446
Scientific Exchange (make on demand): F-152496
AKOS: AKOS002307646
ChemBridge: 9112583...20 total

ref: mol2, SDF, SMILES, flexibase
3.89,7.56,-52.8,0,8,-1, 422.49, 6
9419220
 
#83

eMolecules: 4771816, 30382447
Molport: MolPort-000-854-837, MolPort-002-677-750
Scientific Exchange (make on demand): F-152495
AKOS: AKOS002307645
ChemBridge: 9105149...22 total

ref: mol2, SDF, SMILES, flexibase
4.30,7.64,-52.25,0,7,-1, 392.464, 5
9547330
 
#84

eMolecules: 13196120, 30382641
Molport: MolPort-000-856-001, MolPort-002-995-821
Scientific Exchange (make on demand): F-174980
AKOS: AKOS005562592, AKOS002307617
ChemBridge: 9117246...21 total

ref: mol2, SDF, SMILES, flexibase
4.41,8.42,-49.1,0,6,-1, 380.428, 4
9052649
 
#85

eMolecules: 30378697, 13196118
Molport: MolPort-000-859-663, MolPort-002-995-820
Scientific Exchange (make on demand): F-174978
AKOS: AKOS002307616, AKOS005557928
IBScreen: STOCK6S-42955...21 total

ref: mol2, SDF, SMILES, flexibase
6.32,11.53,-43.79,0,4,-1, 412.897, 5
8990483
 
#86

eMolecules: 30375077, 13196116
Molport: MolPort-000-852-548, MolPort-002-995-819
Scientific Exchange (make on demand): F-174970
AKOS: AKOS002307590, AKOS005553450
IBScreen: STOCK6S-39639...21 total

ref: mol2, SDF, SMILES, flexibase
6.09,11.68,-45.49,0,4,-1, 392.479, 5
10338923
 
#87

eMolecules: 30376939, 7900000
Molport: MolPort-000-854-120, MolPort-002-995-753
Scientific Exchange (make on demand): F-152467
AKOS: AKOS002307562
IBScreen: STOCK6S-39994...20 total

ref: mol2, SDF, SMILES, flexibase
3.15,6.56,-50.39,0,8,-1, 428.519, 6
10338922
 
#88

eMolecules: 7899998, 30380392
Molport: MolPort-000-856-972, MolPort-002-995-752
Scientific Exchange (make on demand): F-152466
AKOS: AKOS005560128, AKOS002307561
ChemBridge: 9108615...23 total

ref: mol2, SDF, SMILES, flexibase
3.67,7.42,-46.73,0,6,-1, 386.457, 4
18077431
 
#89

eMolecules: 7899996, 30373729
Molport: MolPort-000-848-204, MolPort-002-995-751
Scientific Exchange (make on demand): F-152465
AKOS: AKOS005552017, AKOS002307530
IBScreen: STOCK6S-39867...21 total

ref: mol2, SDF, SMILES, flexibase
4.31,7.98,-46.57,0,6,-1, 447.363, 4
54274515
 
#90

Scientific Exchange (make on demand): F-165075
AKOS: AKOS002307471
Innovapharm: STT-00288365
Innovapharm Make-on-Demand: VT-00495961
TimTec Make-on-Demand: ST50771623...6 total

ref: mol2, SDF, SMILES, flexibase
1.22,9.47,-12.91,1,10,0, 383.412, 3

Similar to: 9530955, 10157124,
54274513
 
#91

Scientific Exchange (make on demand): F-165075
AKOS: AKOS002307471
Innovapharm: STT-00288365
Innovapharm Make-on-Demand: VT-00495961
TimTec Make-on-Demand: ST50771623...6 total

ref: mol2, SDF, SMILES, flexibase
1.22,9.58,-13.16,1,10,0, 383.412, 3

Similar to: 9530955, 10157124,
9936199
 
#92

eMolecules: 4769487, 30376619
Molport: MolPort-002-676-983, MolPort-000-858-717
Scientific Exchange (make on demand): F-174962
AKOS: AKOS002307322, AKOS005555247
ChemBridge: 9117724...23 total

ref: mol2, SDF, SMILES, flexibase
2.11,8.31,-49.37,0,6,-1, 278.295, 3
9302922
 
#93

eMolecules: 4761109, 30373775
Molport: MolPort-000-854-020, MolPort-002-674-196
Scientific Exchange (make on demand): F-174960
AKOS: AKOS002307296, AKOS005551824
ChemBridge: 9119292...22 total

ref: mol2, SDF, SMILES, flexibase
2.86,9.57,-51.93,0,7,-1, 325.348, 6
lo: mol2, SDF, SMILES, flexibase
2.40,10.93,-22.66,1,7,0, 326.356, 6
9936190
 
#94

eMolecules: 30383075, 4773194
Molport: MolPort-002-678-209, MolPort-000-849-993
Scientific Exchange (make on demand): F-174959
AKOS: AKOS002307271, AKOS005563295
ChemBridge: 9151088...23 total

ref: mol2, SDF, SMILES, flexibase
3.76,9.28,-56.45,0,6,-1, 317.328, 3

Similar to: 16991787, 17009203,
9305199
 
#95

eMolecules: 30382209, 4763405
Molport: MolPort-002-674-934, MolPort-000-853-234
Scientific Exchange (make on demand): F-174956
AKOS: AKOS002307270, AKOS005563699
ChemBridge: 9121506...23 total

ref: mol2, SDF, SMILES, flexibase
2.36,7.89,-55.45,0,7,-1, 283.267, 4
9341854
 
#96

eMolecules: 4767949, 30376253
Molport: MolPort-002-676-459, MolPort-000-845-362
Scientific Exchange (make on demand): F-174954
AKOS: AKOS002307697, AKOS005556618
ChemBridge: 9120358...22 total

ref: mol2, SDF, SMILES, flexibase
3.25,8.47,-52.95,0,7,-1, 335.372, 4

Similar to: 17053865,
9096702
 
#97

eMolecules: 4771105, 30383225
Molport: MolPort-002-677-526, MolPort-000-854-131
Scientific Exchange (make on demand): F-174953
AKOS: AKOS002307696, AKOS005563088
ChemBridge: 9127834...22 total

ref: mol2, SDF, SMILES, flexibase
3.61,9.37,-50.86,0,6,-1, 334.384, 4
lo: mol2, SDF, SMILES, flexibase
3.16,-0.89,-56.42,2,6,1, 336.4, 4
9936163
 
#98

eMolecules: 4768687, 30381313
Molport: MolPort-002-676-709, MolPort-000-845-752
Scientific Exchange (make on demand): F-174952
AKOS: AKOS002307670, AKOS005561090
ChemBridge: 9158054...22 total

ref: mol2, SDF, SMILES, flexibase
4.43,8.07,-51.29,0,7,-1, 374.405, 4
9936156
 
#99

eMolecules: 4758273, 30381029
Molport: MolPort-002-673-255, MolPort-000-843-096
Scientific Exchange (make on demand): F-174951
AKOS: AKOS002307669, AKOS005560350
ChemBridge: 9140355...22 total

ref: mol2, SDF, SMILES, flexibase
3.49,10.39,-49.47,0,9,-1, 401.435, 5

Similar to: 17073287,
13625053
 
#100

eMolecules: 4757837, 30378647
Molport: MolPort-002-673-105, MolPort-000-849-796
Scientific Exchange (make on demand): F-174949
AKOS: AKOS002307644, AKOS005557810
ChemBridge: 9144716...22 total

ref: mol2, SDF, SMILES, flexibase
2.84,6.41,-51.03,2,8,-1, 356.416, 4

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 = 532 ) limit 0,100

Smiles were