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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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2381647
 
#1

Apollo Scientific: PC4843
Chembo Pharma: KB-100307
Fluorochem: 394890
Indofine: 26-1342
KeyOrganics: PS-6643...11 total

ref: mol2, SDF, SMILES, flexibase
1.58,5.53,-4.56,0,3,0, 200.14, 3
2526254
 
#2

ChemMol: 1037838
Apollo Scientific: PC6804
Capot Chemical: 8519
Chembo Pharma: KB-16564
FineTech: FT-0609414...15 total

ref: mol2, SDF, SMILES, flexibase
2.81,4.79,-2.87,0,1,0, 194.127, 1

Similar to: 39250132,
157578
 
#3

ChemMol: 30100358
Molport: MolPort-000-871-524
Acros Organics: 33208
Angene Building Blocks: AGN-PC-0JK8K1
Anward: ANW-17520...76 total

ref: mol2, SDF, SMILES, flexibase
1.85,2.45,-3.8,2,2,0, 137.182, 1

Similar to: 34333793, 39049694, 39338501, 39642485, ... 4 in total.
149987
 
#4

eMolecules: 909927
Molport: MolPort-001-775-679
Apollo Scientific: PC4387
Chembo Pharma: KB-203040
FineTech: FT-0628663...16 total

ref: mol2, SDF, SMILES, flexibase
3.46,3.69,-7.58,0,4,0, 317.288, 6

Similar to: 41668810, 41668895,
968254
 
#5

ChemMol: 1202229, 44014074, 98000820
L99A binders: P-XYLENE
L99A/M102Q binders: P-XYLENE
Molport: MolPort-001-783-900
TCM Database @ Taiwan: 30844...651 total

ref: mol2, SDF, SMILES, flexibase
2.84,5.84,-2.02,0,0,0, 106.168, 0
1686401
 
#6

Aldrich CPR: S600873|ALDRICH
Apollo Scientific: PC0521
Element Store BB: b2star-370-56-9
FineTech: FT-0627476
Fluorochem: 341967...17 total

ref: mol2, SDF, SMILES, flexibase
3.25,2.42,-5.47,1,3,0, 247.216, 4

Similar to: 2147355, 2167824, 8227966,
4289070
 
#7

Ark Pharm Building Blocks: AK-60334
BOC Sciences BB: 175205-28-4
Chembo Pharma: KB-147375
FineTech: FT-0605735
Indofine: 26-1285...14 total

ref: mol2, SDF, SMILES, flexibase
6.01,5.31,-7.63,0,1,0, 332.365, 6

Similar to: 12370920,
64220153
 
#8

Indofine: 26-1245
ref: mol2, SDF, SMILES, flexibase
4.13,5.49,-4.94,1,1,0, 226.197, 1
hi: mol2, SDF, SMILES, flexibase
4.13,6.25,-43.2,0,1,-1, 225.189, 1

Similar to: 44672130,
1046981
 
#9

ChemMol: 97804640
eMolecules: 718755
Acros Organics: BTB09194
AK Scientific: Y7203
Alinda Building Blocks: ALBB-027253...43 total

ref: mol2, SDF, SMILES, flexibase
1.43,-1.43,-5.5,1,3,0, 166.102, 1
mid: mol2, SDF, SMILES, flexibase
1.43,0.42,-40.69,0,3,-1, 165.094, 1

Similar to: 34347034, 34347035, 34347036, 34347037, 34347038, ... 6 in total.
2379400
 
#10

AK Scientific: X8228
Anward: ANW-71353
Apollo Scientific: PC9183
Ark Pharm Building Blocks: AK-94748
BePharm Building Blocks: B54453...23 total

ref: mol2, SDF, SMILES, flexibase
4.34,7.29,-2.06,0,0,0, 247.018, 2

Similar to: 44249022,
5226872
 
#11

ChemMol: 44002845, 1203517
Acros Organics: 16836, 39663, 39238, 39720, 39662
AKOS: AKOS009157664
Alfa-Aesar: L07356
Amadis Chemical: A845598...115 total

ref: mol2, SDF, SMILES, flexibase
1.06,2.44,-2.21,0,1,0, 86.134, 0

Similar to: 5923299, 5932960, 32154978, 32154982, 34478702, ... 6 in total.
5226869
 
#12

ChemMol: 44002845, 1203517
Acros Organics: 16836, 39663, 39238, 39720, 39662
AKOS: AKOS009157664
Alfa-Aesar: L07356
Amadis Chemical: A845598...117 total

ref: mol2, SDF, SMILES, flexibase
1.06,2.46,-2.17,0,1,0, 86.134, 0

Similar to: 5923299, 5932960, 32154978, 32154982, 34478702, ... 6 in total.
153244
 
#13

Molport: MolPort-001-761-873
AK Scientific: Y3176
Aldrich CPR: PH004178|ALDRICH
Angene Building Blocks: AGN-PC-0JLPGL
Apexmol Building Blocks: AM20040010...33 total

ref: mol2, SDF, SMILES, flexibase
2.48,-1.46,-3.89,4,2,0, 226.323, 2

Similar to: 3878373, 3878412, 4031808, 4363026, 33986425, ... 7 in total.
967534
 
#14

CCP W191G non-binders: MFCD00008512
L99A binders: TOLUENE
L99A/M102Q binders: TOLUENE
TCM Database @ Taiwan: 42296, tcm03_005501, 28492
Acros Organics: 21744...2560 total

ref: mol2, SDF, SMILES, flexibase
2.39,5.16,-1.88,0,0,0, 92.141, 0
4265984
 
#15

Apollo Scientific: PC9123
BOC Sciences BB: 2711-81-1
Bosche Scientific: H8838
Chembo Pharma: KB-84371
FineTech: FT-0613993...25 total

ref: mol2, SDF, SMILES, flexibase
1.89,1.88,-4.39,1,1,0, 196.09, 3

Similar to: 34561752, 34561753, 34561754, 39648015, 39648016, ... 8 in total.
4265973
 
#16

Apollo Scientific: PC9123
BOC Sciences BB: 2711-81-1
Bosche Scientific: H8838
Chembo Pharma: KB-84371
FineTech: FT-0613993...25 total

ref: mol2, SDF, SMILES, flexibase
1.89,1.74,-4.1,1,1,0, 196.09, 3

Similar to: 4265984, 34561752, 34561753, 34561754, 39648015, ... 9 in total.
2530868
 
#17

Apollo Scientific: PC9123
BOC Sciences BB: 2711-81-1
Bosche Scientific: H8838
Chembo Pharma: KB-84371
FineTech: FT-0613993...25 total

ref: mol2, SDF, SMILES, flexibase
1.89,1.74,-4.11,1,1,0, 196.09, 3

Similar to: 4265957, 4265973, 34561752, 34561753, 34561754, ... 8 in total.
4265957
 
#18

Apollo Scientific: PC9123
BOC Sciences BB: 2711-81-1
Bosche Scientific: H8838
Chembo Pharma: KB-84371
FineTech: FT-0613993...25 total

ref: mol2, SDF, SMILES, flexibase
1.89,1.86,-6.82,1,1,0, 196.09, 3

Similar to: 4265973, 4265984, 34561752, 34561753, 34561754, ... 9 in total.
1730139
 
#19

AKOS: AKOS003788890
Alfa-Aesar: L10864
Anward: ANW-42813
Apollo Scientific: PC4760
FineTech: FT-0605916...21 total

ref: mol2, SDF, SMILES, flexibase
3.49,1.06,-7.96,0,3,0, 322.226, 5
1712517
 
#20

ChemMol: 30114074, 44017059
Acorn PharmaTech: ACN-S002336
AK Scientific: Z5449
Anward: ANW-58644
APIChem: AC-9177...29 total

ref: mol2, SDF, SMILES, flexibase
2.71,-5.16,-6.6,6,4,0, 258.321, 2

Similar to: 38267799,
3888363
 
#21

eMolecules: 2865904
Molport: MolPort-002-468-529
Anward: ANW-55655
Apollo Scientific: PC0318
Ark Pharm Building Blocks: AK-60299...34 total

ref: mol2, SDF, SMILES, flexibase
1.61,7.17,-15.97,1,2,0, 194.234, 1

Similar to: 34402974,
4348160
 
#22

Apollo Scientific: PC9583
Indofine: 26-1200
Sigma Aldrich (Building Blocks): 559350|ALDRICH
TimTec: ST45400310
Tractus: TRA0044402...10 total

ref: mol2, SDF, SMILES, flexibase
4.80,2.42,-8.68,2,2,0, 374.28, 4

Similar to: 12955475, 16125418, 34565218,
4348159
 
#23

Apollo Scientific: PC9583
Indofine: 26-1200
Sigma Aldrich (Building Blocks): 559350|ALDRICH
TimTec: ST45400310
Tractus: TRA0044402...10 total

ref: mol2, SDF, SMILES, flexibase
4.80,2.41,-8.63,2,2,0, 374.28, 4

Similar to: 4348160, 12955475, 16125418, 34565218, ... 5 in total.
12955475
 
#24

Apollo Scientific: PC9583
Indofine: 26-1200
Sigma Aldrich (Building Blocks): 559350|ALDRICH
TimTec: ST45400310
Tractus: TRA0044402...10 total

ref: mol2, SDF, SMILES, flexibase
4.80,6.47,-7.81,2,2,0, 374.28, 4

Similar to: 16125418, 34565218, 2379318, 4348159, 4348160, ... 5 in total.
4262093
 
#25

ChemMol: 44014305
Acorn PharmaTech: ACN-S002439
Acros Organics: 26997
AK Scientific: U713
Alfa-Aesar: L10777...124 total

ref: mol2, SDF, SMILES, flexibase
1.33,2.71,-1.13,0,1,0, 166.02, 2
32150628
 
#26

AK Scientific: Z5482
AKOS: AKOS005064376
Angene Building Blocks: AGN-PC-0JS901
Anward: ANW-23547
Apexmol Building Blocks: AM84662...29 total

ref: mol2, SDF, SMILES, flexibase
2.51,4.76,-2.56,0,0,0, 110.181, 1
4243157
 
#27

Apollo Scientific: PC9426
Chembo Pharma: KB-86047
Fluorochem: 009474
Indofine: 26-1178
Molport BB: MolPort-000-156-209...12 total

ref: mol2, SDF, SMILES, flexibase
4.41,7.15,-4.22,1,2,0, 312.188, 4
ref: mol2, SDF, SMILES, flexibase
4.41,7.34,-4.89,1,2,0, 312.188, 4
4243415
 
#28

Apollo Scientific: PC8167
FineTech: FT-0613779
Indofine: 26-1176
Molport BB: MolPort-001-777-823
TimTec: ST45401090...13 total

ref: mol2, SDF, SMILES, flexibase
2.96,4.37,-5.63,1,2,0, 250.117, 3

Similar to: 38526517,
37868623
 
#29

ChemMol: 1035970
AK Scientific: 5632AE
AKOS: AKOS003622774
Aldrich CPR: R420662|ALDRICH
Apollo Scientific: PC4667...18 total

ref: mol2, SDF, SMILES, flexibase
3.71,6.26,-5.99,1,2,0, 286.15, 3
63148470
 
#30

Apollo Scientific: PC4498D
Ark Pharm Building Blocks: AK163324
Chembo Pharma: KB-187549
Combi-Blocks: SS-5480
FineTech: FT-0616776...20 total

ref: mol2, SDF, SMILES, flexibase
4.56,7.54,-2.33,0,0,0, 260.152, 3
2530857
 
#31

AK Scientific: 9083AC
AKOS: AKOS015852876
American Custom Chemicals Corp.: HCH0016483
Apollo Scientific: PC0893
BOC Sciences BB: 231953-39-2...15 total

ref: mol2, SDF, SMILES, flexibase
3.45,5.24,-0.37,0,0,0, 307.934, 2
3157602
 
#32

eMolecules: 1855840
Scientific Exchange (make on demand): T-090107
AKOS: AKOS000431114
ChemDiv: 1988-0471
Enamine Building Blocks: EN300-51783...33 total

ref: mol2, SDF, SMILES, flexibase
0.87,1.3,-11.37,1,3,0, 185.248, 3

Similar to: 34551611, 38237004, 43199309,
4348145
 
#33

Apollo Scientific: PC6791
Combi-Blocks: SS-4579
Indofine: 26-1157
Molport BB: MolPort-001-776-437
Ryan Scientific BB: 077-61245...9 total

ref: mol2, SDF, SMILES, flexibase
3.13,5.06,-0.74,0,1,0, 276.933, 3
1675560
 
#34

Alfa-Aesar: L16777
Apollo Scientific: PC4483
Capot Chemical: 20274
FineTech: FT-0604971
Fluorochem: 001562...17 total

ref: mol2, SDF, SMILES, flexibase
3.67,6.17,-3.71,0,1,0, 274.135, 4

Similar to: 3639377, 38258596, 39957478, 43464427, 43464429, ... 5 in total.
64220152
 
#35

Indofine: 26-1153
ref: mol2, SDF, SMILES, flexibase
2.73,4.01,-9.29,1,2,0, 267.144, 5
hi: mol2, SDF, SMILES, flexibase
2.92,1.81,-41.21,0,2,-1, 266.136, 5
64220151
 
#36

Indofine: 26-1153
ref: mol2, SDF, SMILES, flexibase
2.73,4.01,-7.55,1,2,0, 267.144, 5
hi: mol2, SDF, SMILES, flexibase
2.92,1.81,-40.32,0,2,-1, 266.136, 5
1690278
 
#37

Acros Organics: 24389
AK Scientific: 1899AE, 1898AE
Alfa-Aesar: A10414
Anward: ANW-28661
Apollo Scientific: PC4390...43 total

ref: mol2, SDF, SMILES, flexibase
1.89,1.17,-4.4,1,1,0, 200.053, 3

Similar to: 38522842,
2510656
 
#38

ChemMol: 44006321
AK Scientific: V5551
AKOS: AKOS008913289
Anward: ANW-28553
Apollo Scientific: PC4071...37 total

ref: mol2, SDF, SMILES, flexibase
3.75,2.12,-4.25,0,1,0, 202.228, 3

Similar to: 36749842, 42199914,
2572057
 
#39

Apollo Scientific: PC7104
Indofine: 26-1149
TimTec: ST45401106
TimTec Building Blocks: SBB101224
Tyger Building Blocks: OM0323...8 total

ref: mol2, SDF, SMILES, flexibase
2.27,4.13,-5.85,1,2,0, 253.117, 5
1845632
 
#40

EDASA Scientific: BB0258788
Indofine: 26-114
Tractus: TRA0140277
ChemDB: 7598569
PubChem: 70035...14 total

ref: mol2, SDF, SMILES, flexibase
4.01,1.71,-4.52,0,1,0, 198.265, 3
3061005
 
#41

AKOS: AKOS003578078
Florida Heterocyclic Compounds: 26766
Indofine: 26-108
Innovapharm: STT-00365130
TimTec: ST51069914...9 total

ref: mol2, SDF, SMILES, flexibase
2.30,2.1,-8.16,0,3,0, 200.241, 1

Similar to: 3631653, 3631656, 5697913, 6271294, 33790610, ... 5 in total.
1648279
 
#42

ChemMol: 44008183, 98000077, 83601142, 1202278
Molport: MolPort-016-633-429
Acros Organics: 11967
AK Scientific: X8263
AKOS: AKOS009031486...113 total

ref: mol2, SDF, SMILES, flexibase
2.55,5.22,-2.7,0,0,0, 110.131, 0
2512257
 
#43

Acros Organics: 31201
Alfa-Aesar: L13231
Angene Building Blocks: AGN-PC-0OX1HW
Anward: ANW-41452, ANW-42792
Apollo Scientific: PC4201U...62 total

ref: mol2, SDF, SMILES, flexibase
-2.47,4.46,-29.05,0,1,1, 98.1, 0
64220149
 
#44

Indofine: 26-1056
ref: mol2, SDF, SMILES, flexibase
-2.04,5.74,-33.85,0,2,1, 149.148, 0
1680674
 
#45

ChemMol: 44008450, 1031198, 97806491, 96707608, 1031527, 83602424, 30113290, 1202835
Acorn PharmaTech: ACN-S003293
Acros Organics: 18830
AKOS: AKOS005145578
Alfa-Aesar: A11693...78 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.81,-3.92,0,1,0, 97.092, 0
1680673
 
#46

ChemMol: 30113289, 1031197, 1203158, 83600895, 1031526, 96703548, 44008422, 97806483
eMolecules: 512705
Acros Organics: 11963
AKOS: AKOS000119365
Alfa-Aesar: A11627...98 total

ref: mol2, SDF, SMILES, flexibase
1.20,2.69,-6.05,0,1,0, 97.092, 0
64033853
 
#47

AKOS: AKOS015853839
Indofine: 26-1053
Tractus: TRA0059277
AKOS BB (make-on-demand): AKOS015853839
Debye Scientific BB (Depleted): DB-049611...10 total

ref: mol2, SDF, SMILES, flexibase
2.93,6.85,-3.28,0,0,0, 138.185, 3
3199687
 
#48

ChemMol: 44000520, 1202495
Acros Organics: 37556
AK Scientific: W4721
AKOS: AKOS005762918
Alfa-Aesar: L17913...41 total

ref: mol2, SDF, SMILES, flexibase
0.87,5.44,-13.04,0,5,0, 242.183, 8

Similar to: 34396474, 34607269, 34607270, 36468713, 36468714, ... 6 in total.
2504697
 
#49

ChemMol: 44000520, 1202495
Acros Organics: 37556
AK Scientific: W4721
AKOS: AKOS005762918
Alfa-Aesar: L17913...41 total

ref: mol2, SDF, SMILES, flexibase
0.87,5.44,-13.06,0,5,0, 242.183, 8

Similar to: 3199687, 34396474, 34607269, 34607270, 36468713, ... 6 in total.
1648277
 
#50

ChemMol: 98000050, 1202276
Acros Organics: 11966
Alfa-Aesar: A16912
Amadis Chemical: A845325
Angene Building Blocks: AGN-PC-0JK7ZV...91 total

ref: mol2, SDF, SMILES, flexibase
2.50,5.2,-3.03,0,0,0, 110.131, 0

Similar to: 1702541,
64840
 
#51

eMolecules: 525128
Scientific Exchange (make on demand): T-060956
AK Scientific: V6038
AKOS: AKOS000113515
Alfa-Aesar: L11159...61 total

ref: mol2, SDF, SMILES, flexibase
1.14,3.42,-12.82,3,2,0, 170.212, 2
6095140
 
#52

eMolecules: 829568
AK Scientific: V7149
AKOS: AKOS000113511
Aldrich CPR: CDS003641|ALDRICH
Alfa-Aesar: B20883...49 total

ref: mol2, SDF, SMILES, flexibase
1.09,3.47,-14.4,3,2,0, 170.212, 2
9086570
 
#53

eMolecules: 2895071
Molport: MolPort-005-765-107
Enamine: Z56756640
Indofine: 26-1046
Mcule: MCULE-7260747550...13 total

ref: mol2, SDF, SMILES, flexibase
1.84,5.16,-8.68,1,1,0, 169.224, 2
64220148
 
#54

Indofine: 26-1045
Fluorochem (Depleted): 331450
PubChem: 57888263
ref: mol2, SDF, SMILES, flexibase
1.82,5.1,-7.58,1,1,0, 169.224, 2
18217709
 
#55

eMolecules: 857648, 46474462
Scientific Exchange (make on demand): F-351717
AK Scientific: Z7924, V2412
AKOS: AKOS000345350
Alfa-Aesar: H34355...78 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.55,-5.56,1,2,0, 162.167, 1
mid: mol2, SDF, SMILES, flexibase
2.16,4.6,-6.89,1,2,0, 162.167, 1
1648278
 
#56

Alfa-Aesar: A16107
Angene Building Blocks: AGN-PC-0BU4Z5
Anward: ANW-28161
Apexmol Building Blocks: AM86893
Apollo Scientific: PC4320...76 total

ref: mol2, SDF, SMILES, flexibase
2.53,5.22,-2.83,0,0,0, 110.131, 0

Similar to: 1702541,
4334552
 
#57

Apollo Scientific: PC9806
Indofine: 26-1032
TimTec: ST45401318
PubChem: 2737483, 7195102
SynQuest BB (Depleted: 85697...7 total

ref: mol2, SDF, SMILES, flexibase
4.42,1.29,-7.71,2,2,0, 338.3, 3

Similar to: 2379405, 4334549, 4334550,
2379405
 
#58

Apollo Scientific: PC9806
Indofine: 26-1032
TimTec: ST45401318
PubChem: 2737483, 7009093
SynQuest BB (Depleted: 85697...7 total

ref: mol2, SDF, SMILES, flexibase
4.42,1.29,-7.71,2,2,0, 338.3, 3

Similar to: 4334549, 4334550, 4334552,
4334550
 
#59

Apollo Scientific: PC9806
Indofine: 26-1032
TimTec: ST45401318
PubChem: 2737483, 7195101
SynQuest BB (Depleted: 85697...7 total

ref: mol2, SDF, SMILES, flexibase
4.42,1.29,-8.23,2,2,0, 338.3, 3

Similar to: 4334552, 2379405, 4334549,
4334549
 
#60

Apollo Scientific: PC9806
Indofine: 26-1032
TimTec: ST45401318
PubChem: 2737483, 7195100
SynQuest BB (Depleted: 85697...7 total

ref: mol2, SDF, SMILES, flexibase
4.42,1.29,-8.2,2,2,0, 338.3, 3

Similar to: 4334550, 4334552, 2379405,
4334548
 
#61

Apollo Scientific: PC6973
Chembo Pharma: KB-221794
Indofine: 26-1031
TimTec: ST45401317
PubChem: 2737482...7 total

ref: mol2, SDF, SMILES, flexibase
4.39,1.29,-8.1,2,2,0, 338.3, 3

Similar to: 2379383, 4334546, 4334547,
2379383
 
#62

Apollo Scientific: PC6973
Chembo Pharma: KB-221794
Indofine: 26-1031
TimTec: ST45401317
PubChem: 2737482...7 total

ref: mol2, SDF, SMILES, flexibase
4.39,1.29,-8.44,2,2,0, 338.3, 3

Similar to: 4334546, 4334547, 4334548,
4334547
 
#63

Apollo Scientific: PC6973
Chembo Pharma: KB-221794
Indofine: 26-1031
TimTec: ST45401317
PubChem: 2737482...7 total

ref: mol2, SDF, SMILES, flexibase
4.39,1.29,-8.79,2,2,0, 338.3, 3

Similar to: 4334548, 2379383, 4334546,
4334546
 
#64

Apollo Scientific: PC6973
Chembo Pharma: KB-221794
Indofine: 26-1031
TimTec: ST45401317
PubChem: 2737482...7 total

ref: mol2, SDF, SMILES, flexibase
4.39,1.29,-8.64,2,2,0, 338.3, 3

Similar to: 4334547, 4334548, 2379383,
4334545
 
#65

Apollo Scientific: PC5096
Indofine: 26-1030
TimTec: ST45401319
PubChem: 2737481, 7195096
SynQuest BB (Depleted: 85194...6 total

ref: mol2, SDF, SMILES, flexibase
4.37,1.22,-9.42,2,2,0, 338.3, 3

Similar to: 2379374, 4334542, 4334543,
2379374
 
#66

Apollo Scientific: PC5096
Indofine: 26-1030
TimTec: ST45401319
PubChem: 2737481, 7009084
SynQuest BB (Depleted: 85194...6 total

ref: mol2, SDF, SMILES, flexibase
4.37,1.22,-8.16,2,2,0, 338.3, 3

Similar to: 4334542, 4334543, 4334545,
4334543
 
#67

Apollo Scientific: PC5096
Indofine: 26-1030
TimTec: ST45401319
PubChem: 2737481, 7195095
SynQuest BB (Depleted: 85194...6 total

ref: mol2, SDF, SMILES, flexibase
4.37,1.22,-8.42,2,2,0, 338.3, 3

Similar to: 4334545, 2379374, 4334542,
4334542
 
#68

Apollo Scientific: PC5096
Indofine: 26-1030
TimTec: ST45401319
PubChem: 2737481, 7195094
SynQuest BB (Depleted: 85194...6 total

ref: mol2, SDF, SMILES, flexibase
4.37,1.22,-9.4,2,2,0, 338.3, 3

Similar to: 4334543, 4334545, 2379374,
64220147
 
#69

Indofine: 26-1028
ref: mol2, SDF, SMILES, flexibase
2.44,4.54,-4.28,1,2,0, 180.157, 1
167224
 
#70

ChemMol: 2100540, 1033478, 1200938, 83601039, 98000518
eMolecules: 480293
AK Scientific: X3263
AKOS: AKOS000212244
Alfa-Aesar: A15561...57 total

ref: mol2, SDF, SMILES, flexibase
3.47,5.17,-2.85,0,1,0, 153.181, 1
164841
 
#71

ChemMol: 98000261, 1033470, 1200928
eMolecules: 512517
Acros Organics: 11960
AK Scientific: X5873
AKOS: AKOS000120358...52 total

ref: mol2, SDF, SMILES, flexibase
1.93,2.58,-2.46,0,2,0, 137.113, 1
164839
 
#72

ChemMol: 1200925, 83601007, 98000222, 1033463
eMolecules: 482854
Acros Organics: SB01843, 17032
AK Scientific: 5372AD
Alfa-Aesar: A17466...54 total

ref: mol2, SDF, SMILES, flexibase
1.88,2.63,-4.31,0,2,0, 137.113, 1
2528146
 
#73

ChemMol: 1035964
Molport: MolPort-005-265-908
AK Scientific: 9025AA
Anward: ANW-55649
Apollo Scientific: PC9410...37 total

ref: mol2, SDF, SMILES, flexibase
1.42,7.18,-17.29,1,2,0, 194.234, 1
1595133
 
#74

AK Scientific: W6347
Alfa-Aesar: L20272
Anward: ANW-51105
Apexmol Building Blocks: AM20060905
Apollo Scientific: PC5633...43 total

ref: mol2, SDF, SMILES, flexibase
1.44,5.2,-11.85,0,2,0, 152.124, 2

Similar to: 32002921, 32148291, 39341039,
1840990
 
#75

ChemMol: 44015377
AKOS: AKOS000215972
Alfa-Aesar: H61535
Angene Building Blocks: AGN-PC-0JLPSA
Apollo Scientific: PC4141...32 total

ref: mol2, SDF, SMILES, flexibase
1.78,5.8,-8.1,0,1,0, 152.168, 2

Similar to: 32006372, 32100167, 32102362, 43502102, ... 4 in total.
2040771
 
#76

Apollo Scientific: PC0680
FineTech: FT-0622821
Indofine: 26-1014
Tetrahedron Building Blocks: TS31826
TimTec: ST45400357...27 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.31,-3.19,0,0,0, 110.131, 1
2379601
 
#77

Anward: ANW-21345
Chembo Pharma: KB-53449
Indofine: 26-1010
TCI: F0374
Tetrahedron Building Blocks: TS19390...13 total

ref: mol2, SDF, SMILES, flexibase
4.28,8.07,-3.75,0,1,0, 202.228, 2

Similar to: 2513115, 2527970, 2540331, 2579347, 14630856, ... 7 in total.
2379603
 
#78

Anward: ANW-37229
Chembo Pharma: KB-53448
Indofine: 26-1009
TCI: F0375
Tetrahedron Building Blocks: TS19383...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,8.07,-6.58,0,1,0, 202.228, 2

Similar to: 2540331,
157154
 
#79

ChemMol: 44008321, 1200240, 96707544, 1037381, 98000340, 30110807, 1202141
eMolecules: 480287
Acros Organics: 42719, 15615
AKOS: AKOS000118950
Alfa-Aesar: A15383...101 total

ref: mol2, SDF, SMILES, flexibase
1.89,4.29,-6.77,0,1,0, 124.114, 1
157155
 
#80

ChemMol: 83600382, 1202140, 1037380, 30100817, 44004646, 98000372
eMolecules: 511601
Acros Organics: 11933
AKOS: AKOS000119734
Alfa-Aesar: A11396...84 total

ref: mol2, SDF, SMILES, flexibase
1.87,4.28,-8.79,0,1,0, 124.114, 1
157161
 
#81

ChemMol: 44008320, 1202139, 98000337, 30100747, 83601313, 1037379
L99A non-binders: 2-FLUOROBENZALDEHYDE
Acros Organics: 11932
AKOS: AKOS000119733
Alfa-Aesar: A13800...85 total

ref: mol2, SDF, SMILES, flexibase
1.84,4.29,-10.16,0,1,0, 124.114, 1
12462993
 
#82

eMolecules: 6903670
Molport: MolPort-000-876-333
AKOS: AKOS002336693
Aldrich CPR: BBO000078|ALDRICH
BioBlocks: A4401/0187881...40 total

ref: mol2, SDF, SMILES, flexibase
2.06,4.03,-26.81,3,2,1, 159.212, 0
hi: mol2, SDF, SMILES, flexibase
2.06,3.68,-7.14,2,2,0, 158.204, 0

Similar to: 34424880, 37101432, 5765141,
404289
 
#83

ChemMol: 44001583, 1033351
eMolecules: 534500
Acros Organics: 10409
AK Scientific: HTS000812, T982
Alfa-Aesar: A16081...76 total

ref: mol2, SDF, SMILES, flexibase
0.04,2.53,-6.09,2,3,0, 109.132, 0
8581442
 
#84

ChemMol: 30101329, 44001748, 1031144
eMolecules: 494983
Scientific Exchange (make on demand): Z-089887, Z-052203
ACB Blocks: ABT-0066
AKOS: AKOS000104293...97 total

ref: mol2, SDF, SMILES, flexibase
2.40,3.87,-7.23,2,2,0, 164.233, 0
1085205
 
#85

ChemMol: 1032534, 1032530
AK Scientific: V3709
Alfa-Aesar: B23815
Angene Building Blocks: AGN-PC-0K2VNP
Anward: ANW-22336...44 total

ref: mol2, SDF, SMILES, flexibase
1.33,0.65,-3.46,2,2,0, 166.077, 0

Similar to: 31540004, 39247664,
57697
 
#86

Apollo Scientific: PC0831
Chembo Pharma: KB-89715
Combi-Blocks: SS-6021
Indofine: 26-066
Mcule: MCULE-9605693919...17 total

ref: mol2, SDF, SMILES, flexibase
1.87,4.53,-8.42,2,3,0, 227.189, 2

Similar to: 33694082, 39290513,
3860836
 
#87

ChemMol: 30100659
eMolecules: 477739
Molport: MolPort-016-891-172
Acros Organics: 14669
AKOS: AKOS000119303...107 total

ref: mol2, SDF, SMILES, flexibase
2.25,3.81,-2.86,2,1,0, 121.183, 0

Similar to: 38433670, 39048980,
2567358
 
#88

ChemMol: 1202030, 98001990, 1033575, 30110329, 96708062, 1032272, 1033862, 44012224
AK Scientific: W6040
Alfa-Aesar: H25936
Anward: ANW-29245
Apexmol Building Blocks: AM61949...47 total

ref: mol2, SDF, SMILES, flexibase
0.89,-0.43,-5.72,3,2,0, 127.118, 0

Similar to: 34328825,
2555148
 
#89

ChemMol: 1202481, 1033856, 44012222, 98001615, 1033569, 30110330, 1032266
eMolecules: 906247
AK Scientific: V1264
AKOS: AKOS000111531
Alfa-Aesar: H26165...58 total

ref: mol2, SDF, SMILES, flexibase
1.29,-0.31,-4.2,3,2,0, 127.118, 0
167329
 
#90

ChemMol: 1201498
eMolecules: 703934
Scientific Exchange (make on demand): F-262346
ACB Blocks: ABT-0012
AK Scientific: Y7207...65 total

ref: mol2, SDF, SMILES, flexibase
2.21,-0.95,-6.84,2,2,0, 186.186, 0
lo: mol2, SDF, SMILES, flexibase
2.21,-0.89,-29.3,3,2,1, 187.194, 0
62715316
 
#91

Indofine: 26-050
PubChem: 13237728
ref: mol2, SDF, SMILES, flexibase
1.29,1.62,-8.06,2,3,0, 136.154, 1
52837909
 
#92

Indofine: 26-049
PubChem: 62482357
SureChEMBL: SCHEMBL15429553
Enamine BB Make on Demand: BBV-34299076
UORSY BB Make-on-demand: BBV-34299076...5 total

ref: mol2, SDF, SMILES, flexibase
2.20,5.13,-5.78,2,3,0, 165.24, 1
lo: mol2, SDF, SMILES, flexibase
2.20,5.5,-24.85,3,3,1, 166.248, 1
lo: mol2, SDF, SMILES, flexibase
2.20,5.57,-27.4,3,3,1, 166.248, 1
64220146
 
#93

Indofine: 26-047
ref: mol2, SDF, SMILES, flexibase
1.48,1.93,-8.77,2,3,0, 156.229, 1
64220145
 
#94

Indofine: 26-047
ref: mol2, SDF, SMILES, flexibase
1.48,2.14,-8.6,2,3,0, 156.229, 1
64220144
 
#95

Indofine: 26-047
ref: mol2, SDF, SMILES, flexibase
1.48,2.11,-8.39,2,3,0, 156.229, 1
64220143
 
#96

Indofine: 26-047
ref: mol2, SDF, SMILES, flexibase
1.48,1.95,-8.39,2,3,0, 156.229, 1
2571900
 
#97

Apollo Scientific: PC9812
Indofine: 26-037
Ryan Scientific: 107-67100
Tetrahedron Building Blocks: TS28561
TimTec: ST45401110...10 total

ref: mol2, SDF, SMILES, flexibase
3.03,7.15,-2.09,0,2,0, 254.101, 6
2526329
 
#98

Apollo Scientific: PC9009
Bosche Scientific: A10881
Chembo Pharma: KB-90491
Combi-Blocks: SS-4856
Fluorochem: 010362...17 total

ref: mol2, SDF, SMILES, flexibase
2.91,5.44,-5.36,0,3,0, 246.11, 2
20248496
 
#99

ChemMol: 96701490
Chembo Pharma: KB-293839
Chemstep: 22579
Indofine: 25-4575
Synblock: AB44670...15 total

ref: mol2, SDF, SMILES, flexibase
1.21,3.6,-5.37,0,2,0, 155.584, 1
8772818
 
#100

eMolecules: 1108109
Molport: MolPort-003-962-925, MolPort-001-839-132
Scientific Exchange (make on demand): Z-049454
AKOS: AKOS003605093
Chembo Pharma: KB-83783...35 total

ref: mol2, SDF, SMILES, flexibase
2.19,4.27,-8.63,1,3,0, 186.214, 1
hi: mol2, SDF, SMILES, flexibase
2.65,2.42,-48.39,0,3,-1, 185.206, 1

Similar to: 26420379, 34331491, 34331492, 34441287, ... 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 = 55 ) limit 0,100

Smiles were