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69476422
 
#1

AK Scientific: 7414AA
Anward: ANW-62029
Ark Pharm Building Blocks: AK102544
BePharm Building Blocks: B234083
Chembo Pharma: KB-30173...14 total

ref: mol2, SDF, SMILES, flexibase
-0.11,4.6,-6.99,0,5,0, 253.048, 6
69476420
 
#2

AK Scientific: 7414AA
Anward: ANW-62029
Ark Pharm Building Blocks: AK102544
BePharm Building Blocks: B234083
Chembo Pharma: KB-30173...14 total

ref: mol2, SDF, SMILES, flexibase
-0.11,4.72,-7,0,5,0, 253.048, 6
16697272
 
#3

Anward: ANW-38173
Apexmol Building Blocks: AM20061548
APIChem: AC-4430
Ark Pharm Building Blocks: AK-36579
BePharm Building Blocks: B108453...13 total

ref: mol2, SDF, SMILES, flexibase
1.54,5.65,-38.45,1,5,0, 269.054, 1
mid: mol2, SDF, SMILES, flexibase
2.84,5.23,-38.14,0,5,-1, 268.046, 1
52541469
 
#4

eMolecules: 478526
Molport: MolPort-006-110-167, MolPort-001-742-600
TCM Database @ Taiwan: tcm03_000591, 30532
Acros Organics: 25013
AK Scientific: L984...98 total

69476416
 
#5

AK Scientific: X6344
Anward: ANW-57657
Ark Pharm Building Blocks: AK-57086
BePharm Building Blocks: B216979
Chembo Pharma: KB-51401...12 total

ref: mol2, SDF, SMILES, flexibase
0.99,4.36,-6.35,0,5,0, 223.257, 3
34618429
 
#6

AK Scientific: X6365
Ark Pharm Building Blocks: AK-57064
BePharm Building Blocks: B216964
Chembo Pharma: KB-01138
ChemFuture PharmTech: CFP2261...11 total

ref: mol2, SDF, SMILES, flexibase
3.41,7.74,-5.09,0,2,0, 180.247, 6

Similar to: 2384592,
36419575
 
#7

ChemMol: 51504669
Molport: MolPort-020-173-679
Apexmol Building Blocks: AM90075
Aromalake BB: LS40980
Chembo Pharma: KB-24842...21 total

ref: mol2, SDF, SMILES, flexibase
0.47,-0.87,-2.95,1,2,0, 104.149, 2
69476412
 
#8

AK Scientific: 6852AA
Anward: ANW-62033
Ark Pharm Building Blocks: AK102540
BePharm Building Blocks: B234079
Chembo Pharma: KB-40616...10 total

ref: mol2, SDF, SMILES, flexibase
2.76,7.03,-169.9,2,8,-3, 314.229, 5
69476408
 
#9

Chembo Pharma: KB-20931
ChemFuture PharmTech: CFP7041
Synblock: CB12063
Alfa Chemistry (Depleted): ACM143462355
ref: mol2, SDF, SMILES, flexibase
2.08,7.04,-11.29,0,2,0, 189.258, 4
69476406
 
#10

AK Scientific: 5476AA
Anward: ANW-62035
Ark Pharm Building Blocks: AK102537
BePharm Building Blocks: B234076
Chembo Pharma: KB-44505...10 total

ref: mol2, SDF, SMILES, flexibase
1.87,4.94,-8.03,0,6,0, 237.211, 3
54009851
 
#11

eMolecules: 476921
Acorn PharmaTech: ACN-S002270
Acros Organics: 11404
ACT Chemical BB: ACT02715
Alfa-Aesar: A13681...67 total

34318883
 
#12

AK Scientific: 3111AC
Anward: ANW-54841
Ark Pharm Building Blocks: AK-50171
BePharm Building Blocks: B212632
Bide Pharmatech BB: BD212632...15 total

ref: mol2, SDF, SMILES, flexibase
3.55,5.99,-4.39,0,1,0, 242.503, 0

Similar to: 19721454, 1020113, 2381643, 19721529, ... 4 in total.
69476404
 
#13

AK Scientific: 4689AA
Angene Building Blocks: AGN-PC-09SGCA
Anward: ANW-62039
Ark Pharm Building Blocks: AK102533
BePharm Building Blocks: B234072...18 total

ref: mol2, SDF, SMILES, flexibase
3.55,5.99,-4.18,0,1,0, 242.503, 0
69476401
 
#14

Ark Pharm Building Blocks: AK131035
Chembo Pharma: KB-249571
ChemFuture PharmTech: CFP1055
AKOS BB (make-on-demand): AKOS015897230
Debye Scientific BB (Depleted): DA-17519...7 total

ref: mol2, SDF, SMILES, flexibase
2.93,4.75,-5.44,0,2,0, 238.084, 1
34146006
 
#15

Ark Pharm Building Blocks: AK146157
ChemFuture PharmTech: CFP0299
Debye Scientific BB (Depleted): DA-17515
SureChEMBL: SCHEMBL14277693
ref: mol2, SDF, SMILES, flexibase
1.66,-3.38,-43.17,1,6,-1, 213.213, 3
lo: mol2, SDF, SMILES, flexibase
1.48,-0.82,-13.03,2,6,0, 214.221, 3
69476399
 
#16

AK Scientific: X6496
Ark Pharm Building Blocks: AK117144
BePharm Building Blocks: B57038
Chembo Pharma: KB-61025
ChemFuture PharmTech: CFP0044...13 total

ref: mol2, SDF, SMILES, flexibase
1.93,6.06,-6.29,0,4,0, 227.304, 3
69476397
 
#17

AK Scientific: X6496
Ark Pharm Building Blocks: AK117144
BePharm Building Blocks: B57038
Chembo Pharma: KB-61025
ChemFuture PharmTech: CFP0044...13 total

ref: mol2, SDF, SMILES, flexibase
1.93,6.06,-6.28,0,4,0, 227.304, 3
38858059
 
#18

AK Scientific: X6512
Ark Pharm Building Blocks: AK-57082
BOC Sciences BB: 108290-86-4
Capot Chemical: 14776
Chembo Pharma: KB-19594...14 total

ref: mol2, SDF, SMILES, flexibase
0.60,2.95,-8.37,3,4,0, 154.169, 3
69476394
 
#19

AK Scientific: 3336AC
Anward: ANW-65547
Ark Pharm Building Blocks: AK102629
BePharm Building Blocks: B234168
Chembo Pharma: KB-28308...15 total

ref: mol2, SDF, SMILES, flexibase
0.94,1.01,-8.96,2,3,0, 177.203, 1
69476392
 
#20

Molport: MolPort-023-330-030
AK Scientific: X6354
Anward: ANW-57650
Ark Pharm Building Blocks: AK-57121
BePharm Building Blocks: B217000...20 total

ref: mol2, SDF, SMILES, flexibase
2.50,7.46,-5.84,0,3,0, 269.094, 4
69476390
 
#21

AK Scientific: X6475
Anward: ANW-72049
Ark Pharm Building Blocks: AK-57120
BePharm Building Blocks: B216999
Chembo Pharma: KB-02538...13 total

ref: mol2, SDF, SMILES, flexibase
1.45,7.24,-9.21,0,4,0, 215.208, 4
38253711
 
#22

AK Scientific: X5913
Anward: ANW-65543
Ark Pharm Building Blocks: AK102634
BePharm Building Blocks: B234173
Chembo Pharma: KB-47831...15 total

ref: mol2, SDF, SMILES, flexibase
6.20,7.42,-9.25,2,4,0, 421.337, 8

Similar to: 36040081,
69476388
 
#23

Chembo Pharma: KB-27449
ChemFuture PharmTech: CFP7028
Synblock: CB12044
Debye Scientific BB (Depleted): DA-17606
Ambinter: Amb22224698...5 total

ref: mol2, SDF, SMILES, flexibase
3.60,6.92,-8.55,1,2,0, 294.272, 4
69476384
 
#24

Chembo Pharma: KB-27449
ChemFuture PharmTech: CFP7028
Synblock: CB12044
Debye Scientific BB (Depleted): DA-17606
Ambinter: Amb22224698...5 total

ref: mol2, SDF, SMILES, flexibase
3.60,6.95,-8.71,1,2,0, 294.272, 4
69476382
 
#25

ChemFuture PharmTech: CFP0040
ref: mol2, SDF, SMILES, flexibase
5.17,12.92,-41.14,2,5,1, 428.572, 7
12504135
 
#26

AK Scientific: Y6345, W7018
AKOS: AKOS015918379
Anward: ANW-52269
Apexmol Building Blocks: AM20100393, AM20100041
Ark Pharm Building Blocks: AK-24175...38 total

ref: mol2, SDF, SMILES, flexibase
0.00,0.53,-20.97,2,4,0, 135.126, 0
mid: mol2, SDF, SMILES, flexibase
0.46,0.03,-45.09,1,4,-1, 134.118, 0
mid: mol2, SDF, SMILES, flexibase
0.00,1.2,-12.98,2,4,0, 135.126, 0
hi: mol2, SDF, SMILES, flexibase
0.28,-0.91,-54.2,0,4,-1, 134.118, 0

Similar to: 39590671,
34566920
 
#27

ChemFuture PharmTech: CFP1667
Debye Scientific BB (Depleted): DB-060104
PubChem: 10931661
SureChEMBL: SCHEMBL9448698
ref: mol2, SDF, SMILES, flexibase
1.17,3.67,-10.25,0,2,0, 154.209, 1

Similar to: 22008002, 22008005, 22008009, 22008013, ... 4 in total.
69476376
 
#28

AK Scientific: 4252AC
Anward: ANW-59908
Ark Pharm Building Blocks: AK-31502
BePharm Building Blocks: B26955
Chembo Pharma: KB-257797...10 total

ref: mol2, SDF, SMILES, flexibase
2.33,4.34,-6.46,1,4,0, 210.62, 2
9144851
 
#29

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

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

Similar to: 25492098,
69476373
 
#30

ChemFuture PharmTech: CFP2455
ref: mol2, SDF, SMILES, flexibase
-0.65,0.12,-96.59,3,7,-2, 169.096, 2
967346
 
#31

ChemMol: 44007248, 51501595, 97801765, 30109597
Scientific Exchange Building Blocks: F-351584
Acorn PharmaTech: ACN-P000919
AK Scientific: W3171, Y7170
AKOS: AKOS005068311...69 total

ref: mol2, SDF, SMILES, flexibase
1.25,1.46,-5.89,1,2,0, 146.975, 0
mid: mol2, SDF, SMILES, flexibase
1.25,1.45,-3.25,1,2,0, 146.975, 0
69476370
 
#32

AK Scientific: 1593AC
Anward: ANW-61974
Ark Pharm Building Blocks: AK102610
BePharm Building Blocks: B234149
Chembo Pharma: KB-51674...11 total

ref: mol2, SDF, SMILES, flexibase
2.58,5.15,-4.8,0,3,0, 213.283, 3
34582621
 
#33

AK Scientific: X6529
Angene Building Blocks: AGN-PC-009YHB
Anward: ANW-72052
Ark Pharm Building Blocks: AK-57113
BePharm Building Blocks: B216994...17 total

ref: mol2, SDF, SMILES, flexibase
0.72,2.89,-9.4,0,3,0, 158.16, 1

Similar to: 2570382,
24602465
 
#34

AK Scientific: 7863AA
Anward: ANW-71783
Ark Pharm Building Blocks: AK-72601
BePharm Building Blocks: B98688
Bide Pharmatech BB: BD98688...20 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.48,-11.68,0,2,0, 144.177, 0

Similar to: 32197244,
69476367
 
#35

AK Scientific: 1592AC
Anward: ANW-61975
Ark Pharm Building Blocks: AK102609
BePharm Building Blocks: B234148
Chembo Pharma: KB-51397...10 total

ref: mol2, SDF, SMILES, flexibase
2.56,5.46,-6.89,0,3,0, 218.661, 4
69476365
 
#36

AK Scientific: 1591AC
Anward: ANW-61976
Ark Pharm Building Blocks: AK102608
BePharm Building Blocks: B234147
Chembo Pharma: KB-51399...12 total

ref: mol2, SDF, SMILES, flexibase
3.22,6.35,-3.72,0,2,0, 204.678, 3
69476363
 
#37

AK Scientific: 2695AC, 2696AC, W2016
Anward: ANW-61960
Ark Pharm Building Blocks: AK102624
BePharm Building Blocks: B234163
ChemFuture PharmTech: CFP5377...12 total

ref: mol2, SDF, SMILES, flexibase
2.80,5.88,-7.27,0,3,0, 227.31, 3
69476362
 
#38

ChemFuture PharmTech: CFP5375
ref: mol2, SDF, SMILES, flexibase
-0.50,3.06,-41.65,0,8,-1, 194.13, 2
69476361
 
#39

ChemFuture PharmTech: CFP5370
Debye Scientific BB (Depleted): DB-059860
SureChEMBL: SCHEMBL834457
ref: mol2, SDF, SMILES, flexibase
2.51,6.15,-7.06,0,2,0, 190.242, 2
69476359
 
#40

Anward: ANW-62061
Ark Pharm Building Blocks: AK102511
BePharm Building Blocks: B234050
Chembo Pharma: KB-32095
ChemFuture PharmTech: CFP5364...11 total

ref: mol2, SDF, SMILES, flexibase
0.99,1.46,-9.65,1,4,0, 174.159, 1
hi: mol2, SDF, SMILES, flexibase
0.99,2.46,-46.68,0,4,-1, 173.151, 1
69476356
 
#41

ChemFuture PharmTech: CFP5340
ref: mol2, SDF, SMILES, flexibase
2.85,10.45,-14.76,2,8,0, 464.518, 11
mid: mol2, SDF, SMILES, flexibase
2.85,13.2,-89.82,4,8,2, 466.534, 11
mid: mol2, SDF, SMILES, flexibase
2.85,11.83,-49.45,3,8,1, 465.526, 11
69476353
 
#42

AK Scientific: 0747AA
Angene Building Blocks: AGN-PC-00NJB1
Anward: ANW-62070
Ark Pharm Building Blocks: AK102502
BePharm Building Blocks: B234041...17 total

ref: mol2, SDF, SMILES, flexibase
1.67,4.49,-8.78,0,2,0, 209.046, 0
69476350
 
#43

AK Scientific: X6537
Anward: ANW-72064
Ark Pharm Building Blocks: AK-57004
BePharm Building Blocks: B216925
Chembo Pharma: KB-44121...14 total

ref: mol2, SDF, SMILES, flexibase
2.05,5.58,-51.49,0,3,-1, 178.211, 2
lo: mol2, SDF, SMILES, flexibase
2.05,5.98,-30.02,1,3,0, 179.219, 2
1442924
 
#44

ChemFuture PharmTech: CFP5332
Tractus: TRA0004108
ChemDB: 6049442
Fluorochem (Depleted): 387990
PubChem: 500387...10 total

ref: mol2, SDF, SMILES, flexibase
1.47,4.44,-10.8,0,3,0, 203.241, 1
69476347
 
#45

ChemFuture PharmTech: CFP7011
TCI: A2411
ChEMBL19: CHEMBL1797639
PubChem: 44607264, 49835690
SureChEMBL: SCHEMBL15764523...6 total

ref: mol2, SDF, SMILES, flexibase
3.04,10.08,-56.95,5,6,1, 444.555, 10
hi: mol2, SDF, SMILES, flexibase
3.04,9.78,-21.4,4,6,0, 443.547, 10
69476344
 
#46

AK Scientific: X6490
ChemFuture PharmTech: CFP7011
TCI: A2411
BindingDB.org: 50346535
ChEMBL19: CHEMBL1797706...11 total

ref: mol2, SDF, SMILES, flexibase
3.04,9.92,-60.61,5,6,1, 444.555, 10
hi: mol2, SDF, SMILES, flexibase
3.04,9.6,-21.23,4,6,0, 443.547, 10
69476342
 
#47

ChemFuture PharmTech: CFP7011
TCI: A2411
Tractus: TRA0013864
BindingDB.org: 50346534
ChEMBL19: CHEMBL1797705...10 total

ref: mol2, SDF, SMILES, flexibase
3.04,9.92,-59.39,5,6,1, 444.555, 10
hi: mol2, SDF, SMILES, flexibase
3.04,9.59,-20.43,4,6,0, 443.547, 10
69476340
 
#48

Anward: ANW-17351
ChemFuture PharmTech: CFP7011
TCI: A2411
Tractus: TRA0013864
ChEMBL19: CHEMBL1797639...9 total

ref: mol2, SDF, SMILES, flexibase
3.04,10.08,-59.05,5,6,1, 444.555, 10
hi: mol2, SDF, SMILES, flexibase
3.04,9.79,-19.76,4,6,0, 443.547, 10
69476338
 
#49

AK Scientific: 4145AB
Anward: ANW-62001
Ark Pharm Building Blocks: AK102576
BePharm Building Blocks: B234115
Chembo Pharma: KB-54009...11 total

ref: mol2, SDF, SMILES, flexibase
2.19,5.36,-7.32,0,4,0, 209.245, 4
34422831
 
#50

AK Scientific: 1252AA
Ark Pharm Building Blocks: AK102510
BePharm Building Blocks: B234049
Chembo Pharma: KB-00799
ChemFuture PharmTech: CFP5331...9 total

ref: mol2, SDF, SMILES, flexibase
-0.41,-1.22,-13.41,3,6,0, 281.699, 2

Similar to: 1609234, 1613485, 5759929, 5808530, 29241818, ... 9 in total.
69476334
 
#51

ChemFuture PharmTech: CFP5327
Debye Scientific BB (Depleted): DB-058462
PubChem: 59175399
SureChEMBL: SCHEMBL3236368
ref: mol2, SDF, SMILES, flexibase
1.00,3.92,-10.79,2,5,0, 211.228, 1
lo: mol2, SDF, SMILES, flexibase
1.00,4.38,-48.93,3,5,1, 212.236, 1
69476332
 
#52

ChemFuture PharmTech: CFP5326
Debye Scientific BB (Depleted): DB-058461
PubChem: 59175270
SureChEMBL: SCHEMBL3263422
ref: mol2, SDF, SMILES, flexibase
2.07,5.7,-10.66,2,4,0, 210.24, 1
69476330
 
#53

ChemFuture PharmTech: CFP5325
Debye Scientific BB (Depleted): DB-058460
Fluorochem (Depleted): 332149
PubChem: 57441024
SureChEMBL: SCHEMBL2514258...6 total

ref: mol2, SDF, SMILES, flexibase
1.60,3.08,-7.34,2,4,0, 260.038, 0
6500021
 
#54

ChemMol: 96709036
Molport: MolPort-027-640-508
Angene Building Blocks: AGN-PC-0O8NQL
Anward: ANW-72750, ANW-57197
Apexmol Building Blocks: AM20120706...39 total

ref: mol2, SDF, SMILES, flexibase
0.02,2.28,-22.04,1,4,0, 135.126, 0
ref: mol2, SDF, SMILES, flexibase
0.46,2.19,-16.69,0,4,0, 135.126, 0
mid: mol2, SDF, SMILES, flexibase
0.48,0.84,-43.51,0,4,-1, 134.118, 0
69476328
 
#55

eMolecules: 44458526
Molport: MolPort-020-176-290
AKOS: AKOS015831435
ChemFuture PharmTech: CFP5319
Innovapharm: STT-00379316...11 total

ref: mol2, SDF, SMILES, flexibase
-0.76,3.6,-108.32,0,8,-2, 179.095, 1
69476325
 
#56

Anward: ANW-62060
Ark Pharm Building Blocks: AK102512
BePharm Building Blocks: B234051
Chembo Pharma: KB-13761
ChemFuture PharmTech: CFP3435...11 total

ref: mol2, SDF, SMILES, flexibase
-0.24,7.15,-111.71,1,9,-2, 370.296, 4
69476320
 
#57

ChemFuture PharmTech: CFP2646
Debye Scientific BB (Depleted): DB-068035
SureChEMBL: SCHEMBL2767098
ref: mol2, SDF, SMILES, flexibase
2.19,5.16,-38.78,0,5,-1, 203.177, 2
mid: mol2, SDF, SMILES, flexibase
2.19,5.57,-10.42,1,5,0, 204.185, 2
69476318
 
#58

ChemFuture PharmTech: CFP2643
Debye Scientific BB (Depleted): DB-068036
PubChem: 11622527
SureChEMBL: SCHEMBL2769856
ref: mol2, SDF, SMILES, flexibase
2.15,5.78,-31.82,0,5,-1, 200.177, 1
mid: mol2, SDF, SMILES, flexibase
2.15,6.2,-9.61,1,5,0, 201.185, 1
39204493
 
#59

Ark Pharm Building Blocks: AK138201
ChemFuture PharmTech: CFP2642
Debye Scientific BB (Depleted): DB-072904
PubChem: 12301124
SureChEMBL: SCHEMBL1653140...5 total

ref: mol2, SDF, SMILES, flexibase
2.92,7.02,-40.74,0,6,-1, 247.23, 4
mid: mol2, SDF, SMILES, flexibase
2.92,7.41,-9.29,1,6,0, 248.238, 4
69476316
 
#60

Ark Pharm Building Blocks: AK138200
ChemFuture PharmTech: CFP2640
Debye Scientific BB (Depleted): DB-068033
SureChEMBL: SCHEMBL2767476
ref: mol2, SDF, SMILES, flexibase
2.28,6.41,-50.13,1,6,-1, 219.176, 2
hi: mol2, SDF, SMILES, flexibase
2.28,6.03,-123.46,0,6,-2, 218.168, 2
19167376
 
#61

Scientific Exchange (make on demand): F-305048
Acros Organics: 18708
Alfa-Aesar: B23876
BioSynth: W-104437
ChemDiv BuildingBlocks: BB01-7814...24 total

ref: mol2, SDF, SMILES, flexibase
-0.17,0.77,-33.56,4,2,1, 89.162, 1
hi: mol2, SDF, SMILES, flexibase
-0.17,0.35,-2.17,3,2,0, 88.154, 1
hi: mol2, SDF, SMILES, flexibase
-0.17,0.16,-38.83,4,2,1, 89.162, 1
53194795
 
#62

eMolecules: 812544, 530587
Molport: MolPort-002-365-711, MolPort-001-769-618
Acorn PharmaTech: ACN-S003789
Acros Organics: 10310
AK Scientific: L191...109 total

8575894
 
#63

AK Scientific: 2427AC
Ark Pharm Building Blocks: AK102621
BePharm Building Blocks: B234160
Chembo Pharma: KB-00437
ChemFuture PharmTech: CFP1661...10 total

ref: mol2, SDF, SMILES, flexibase
1.04,-0.49,-4.06,2,2,0, 154.209, 2

Similar to: 15855872,
69476308
 
#64

Molport: MolPort-022-052-937
AK Scientific: 0231AA
Ark Pharm Building Blocks: AK113044
BePharm Building Blocks: B219140
Chembo Pharma: KB-248523...16 total

ref: mol2, SDF, SMILES, flexibase
1.54,4.39,-6.54,2,3,0, 167.599, 0
lo: mol2, SDF, SMILES, flexibase
1.54,4.87,-26.46,3,3,1, 168.607, 0

Similar to: 36221963,
69476307
 
#65

ChemFuture PharmTech: CFP1430
AKOS BB (make-on-demand): AKOS015904439
Debye Scientific BB (Depleted): DB-080151
PubChem: 53393353
SureChEMBL: SCHEMBL2562303...5 total

ref: mol2, SDF, SMILES, flexibase
3.01,7.63,-12.36,0,4,0, 356.163, 6
16696762
 
#66

ChemMol: 44006790, 30109245
AKOS: AKOS015841006
Angene Building Blocks: AGN-PC-0BTTFO
Anward: ANW-59166
Apexmol Building Blocks: AM20100516...35 total

ref: mol2, SDF, SMILES, flexibase
0.06,2.64,-8.8,1,3,0, 110.116, 1
mid: mol2, SDF, SMILES, flexibase
0.06,3.06,-41.08,2,3,1, 111.124, 1
25722461
 
#67

Enolase via KEGG (EFI): C05828_1
AK Scientific: 2304AB
Anward: ANW-62010
Ark Pharm Building Blocks: AK102567
BePharm Building Blocks: B234106...25 total

69476304
 
#68

ChemFuture PharmTech: CFP0828
AKOS BB (make-on-demand): AKOS015904481
Debye Scientific BB (Depleted): DB-071003
PubChem: 53393346
ref: mol2, SDF, SMILES, flexibase
4.13,7.04,-9.74,1,6,0, 348.424, 7
69476302
 
#69

ChemFuture PharmTech: CFP0746
Synblock: AB71814
AKOS BB (make-on-demand): AKOS015892022
Debye Scientific BB (Depleted): DB-072084
Fluorochem (Depleted): 333002...6 total

ref: mol2, SDF, SMILES, flexibase
3.32,5.83,-3.04,0,1,0, 169.655, 1
69476299
 
#70

ChemFuture PharmTech: CFP0745
AKOS BB (make-on-demand): AKOS015892021
Debye Scientific BB (Depleted): DB-072083
PubChem: 12428545
SureChEMBL: SCHEMBL15122279...7 total

ref: mol2, SDF, SMILES, flexibase
2.93,5.99,-3.82,0,1,0, 149.237, 1
lo: mol2, SDF, SMILES, flexibase
2.93,6.35,-25.35,1,1,1, 150.245, 1
69476296
 
#71

Molport: MolPort-022-458-707
AK Scientific: 2849AC
Anward: ANW-57585
Apexmol Building Blocks: AM806793
Ark Pharm Building Blocks: AK-64757...20 total

ref: mol2, SDF, SMILES, flexibase
2.05,5.89,-46.14,0,3,-1, 178.211, 2
lo: mol2, SDF, SMILES, flexibase
2.05,6.11,-36.13,1,3,0, 179.219, 2
20417705
 
#72

Apollo Scientific: PC7173, PC8370
Chembo Pharma: KB-01371
ChemFuture PharmTech: CFP0731
Fluorochem: 306176
Molport BB: MolPort-001-778-663...9 total

ref: mol2, SDF, SMILES, flexibase
1.19,1.56,-38.51,3,2,1, 177.149, 2
mid: mol2, SDF, SMILES, flexibase
1.19,1.18,-5.11,2,2,0, 176.141, 2
38363932
 
#73

Ark Pharm Building Blocks: AK161656, AK132954, AK157817
Bide Pharmatech BB: BD286285
ChemFuture PharmTech: CFP0295
AKOS BB (make-on-demand): AKOS015891524
Debye Scientific BB (Depleted): DB-067702...11 total

ref: mol2, SDF, SMILES, flexibase
0.85,2.2,-30.8,3,3,1, 222.308, 4
40448333
 
#74

Molport: MolPort-009-197-233
AK Scientific: X6372
Angene Building Blocks: AGN-PC-00610C
Anward: ANW-53780
Apexmol Building Blocks: AM803865...22 total

ref: mol2, SDF, SMILES, flexibase
0.79,4.39,-44.18,1,3,-1, 138.146, 3
66323545
 
#75

Anward: ANW-74214
Ark Pharm Building Blocks: AK-78515, AK-79148
BePharm Building Blocks: B158717
Bide Pharmatech BB: BD158717
Chembo Pharma: KB-50669...16 total

ref: mol2, SDF, SMILES, flexibase
0.67,5.24,-41.06,0,4,-1, 246.286, 4
mid: mol2, SDF, SMILES, flexibase
0.67,7.77,-34.93,1,4,0, 247.294, 4
mid: mol2, SDF, SMILES, flexibase
1.38,5.65,-6.82,0,4,0, 247.294, 5
69476294
 
#76

ChemFuture PharmTech: CFP0036
ref: mol2, SDF, SMILES, flexibase
2.09,7.52,-41.26,3,2,1, 247.406, 3
11883987
 
#77

Molport: MolPort-001-769-575, MolPort-004-968-013
AK Scientific: X6413
Alfa-Aesar: H32527
Ark Pharm Building Blocks: AK117151, AK164903
AsisChem: PKCBB_00235...41 total

ref: mol2, SDF, SMILES, flexibase
2.81,-0.94,-44.25,3,1,1, 170.663, 1

Similar to: 34621879, 34621880, 39017780, 39017781, ... 4 in total.
40442496
 
#78

ChemMol: 44013145
Molport: MolPort-008-266-713
Acorn PharmaTech: ACN-S001860
AK Scientific: X7441
AKOS: AKOS005145565...37 total

ref: mol2, SDF, SMILES, flexibase
1.63,8.32,-41.84,2,7,1, 372.474, 5
mid: mol2, SDF, SMILES, flexibase
1.63,7.85,-19.57,1,7,0, 371.466, 5
39952064
 
#79

ChemMol: 30201035
AK Scientific: X6471
AKOS: AKOS015841397
Anward: ANW-54394
Ark Pharm Building Blocks: AK-56986...26 total

ref: mol2, SDF, SMILES, flexibase
0.61,2.32,-35.5,3,6,0, 230.264, 4

Similar to: 39952147, 39952060, 26507261, 12506596, 35899998, ... 5 in total.
4202829
 
#80

ChemMol: 30109385, 97300518, 2000110, 30201434, 96708952, 1036202, 2100664, 97802009, 97603214, 1203561, 42303940
eMolecules: 1837646
Molport: MolPort-000-001-531, MolPort-002-500-670
Scientific Exchange (make on demand): F-331811
A&J Pharmtech: AJ-00619...152 total

ref: mol2, SDF, SMILES, flexibase
2.76,-2.64,-38.73,3,4,1, 201.29, 3

Similar to: 4202830, 34606511, 44239813, 44239816, ... 4 in total.
156946
 
#81

ChemMol: 1202698, 44028712, 98000777
eMolecules: 477832
Molport: MolPort-001-616-025
Scientific Exchange (make on demand): M-860461
ACB Blocks: PAA-0225...82 total

ref: mol2, SDF, SMILES, flexibase
1.30,5.59,-46.66,0,5,-1, 180.139, 3

Similar to: 32164759, 32164761, 32164770, 32164776, 32164785, ... 11 in total.
49583080
 
#82

ChemMol: 30109054, 44001174
ACT Chemical BB: ACT04222
AK Scientific: I881
APIChem: AC-385
Boerchem Pharmatech BB: BC660134...67 total

ref: mol2, SDF, SMILES, flexibase
2.29,4.15,-93.41,1,8,-1, 440.567, 11
hi: mol2, SDF, SMILES, flexibase
2.29,1.81,-92.36,0,8,-2, 439.559, 11

Similar to: 596731, 596880, 600840,
133425
 
#83

ChemMol: 44500015, 30200935, 30109322, 44006381, 44015207, 96707957, 44024720, 2000044, 97300756
eMolecules: 2011891, 721537
Scientific Exchange (make on demand): POD_11/0509
Acorn PharmaTech: ACN-S001605
Acros Organics: KM08723...138 total

ref: mol2, SDF, SMILES, flexibase
2.74,-1.06,-32.02,2,2,1, 240.326, 3

Similar to: 32207060,
17919916
 
#84

ChemMol: 97901222
Active BioPharma: 2497
AK Scientific: X6409
Anward: ANW-72063
Ark Pharm Building Blocks: AK-57005...32 total

ref: mol2, SDF, SMILES, flexibase
5.71,12.65,-26.77,1,2,1, 305.445, 6
ref: mol2, SDF, SMILES, flexibase
5.71,12.3,-26.46,1,2,1, 305.445, 6
895455
 
#85

ChemMol: 44010140, 97603356, 97800221, 42302512, 1203035, 30109896, 97602628
eMolecules: 206842824
Enolase via KEGG (EFI): C01015_1
Molport: MolPort-001-788-369
TCM Database @ Taiwan: tcm03_004165...203 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-4.3,-42.93,3,4,0, 131.131, 1

Similar to: 5851414, 34602211, 36466335,
3798289
 
#86

AK Scientific: X6456
Anward: ANW-72070
BePharm Building Blocks: B216901
ChemFuture PharmTech: CFP0045
Ryan Scientific BB: 048-09451...23 total

ref: mol2, SDF, SMILES, flexibase
6.66,2.29,-42.03,1,3,1, 430.612, 10
19268506
 
#87

Molport: MolPort-008-383-020, MolPort-000-886-252
Scientific Exchange Building Blocks: M-316773
AK Scientific: 8034AB
Aldrich CPR: CDS018339|ALDRICH
Alinda Building Blocks: ALBB-000375...66 total

ref: mol2, SDF, SMILES, flexibase
1.07,2.92,-38.95,2,3,1, 207.297, 3
hi: mol2, SDF, SMILES, flexibase
1.07,1.56,-4.08,1,3,0, 206.289, 3

Similar to: 19933504, 32118264, 32128419, 33825050, 39318901, ... 7 in total.
18154848
 
#88

ChemMol: 44002914, 1037550, 96700286, 30102874
eMolecules: 43012231, 520284
Molport: MolPort-019-735-829, MolPort-003-710-537
TCM Database @ Taiwan: tcm03_004018
Acros Organics: 12110...105 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.03,-45.5,0,3,-1, 161.136, 0
ref: mol2, SDF, SMILES, flexibase
0.89,5.14,-7.96,0,3,0, 162.144, 0
mid: mol2, SDF, SMILES, flexibase
1.72,3.03,-12,1,3,0, 162.144, 0
mid: mol2, SDF, SMILES, flexibase
1.72,3.28,-11.78,1,3,0, 162.144, 0

Similar to: 44672070,
156099
 
#89

ChemMol: 96700540, 30202460, 44011533
eMolecules: 502318
Molport: MolPort-001-758-113
Scientific Exchange (make on demand): F-139205
AK Scientific: P962...68 total

ref: mol2, SDF, SMILES, flexibase
0.59,2.01,-58.34,0,5,-1, 162.128, 0

Similar to: 34349657, 34349658, 34546312, 34583382, ... 4 in total.
18086647
 
#90

AK Scientific: 7109AA
Anward: ANW-62028
Ark Pharm Building Blocks: AK128738
BePharm Building Blocks: B234084
Chembo Pharma: KB-209175...33 total

ref: mol2, SDF, SMILES, flexibase
-0.72,2.86,-76.33,9,6,2, 232.291, 3
ref: mol2, SDF, SMILES, flexibase
-0.72,2.83,-76.26,9,6,2, 232.291, 3

Similar to: 6095104,
4217344
 
#91

ChemMol: 97801337, 30113177, 83601412, 44010970
eMolecules: 504946
Acros Organics: 36825
AK Scientific: R142
Alfa-Aesar: H60631...98 total

ref: mol2, SDF, SMILES, flexibase
-0.54,2.36,-31.88,4,4,1, 111.128, 1
hi: mol2, SDF, SMILES, flexibase
-0.54,2.37,-5.62,3,4,0, 110.12, 1
4992632
 
#92

eMolecules: 3793197, 18622742
Molport: MolPort-004-853-296
Scientific Exchange Building Blocks: F-123616
AK Scientific: Y9068
AKOS: AKOS003237499...50 total

ref: mol2, SDF, SMILES, flexibase
-0.77,-0.22,-46.98,4,3,1, 112.156, 2

Similar to: 39343114,
16697274
 
#93

ChemMol: 44027020, 97603211, 44018756
Acorn PharmaTech: ACN-S001503
AK Scientific: X4725
Angene Building Blocks: AGN-PC-0OK59R
Anward: ANW-56530...40 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.23,-53.79,1,6,-1, 218.229, 6
hi: mol2, SDF, SMILES, flexibase
3.23,12.76,-52.04,3,7,1, 421.569, 5

Similar to: 34427507, 34427508, 34432518, 34584140, 34591705, ... 12 in total.
2526267
 
#94

ChemMol: 44012120, 97602735
Molport: MolPort-020-004-457
ACT Chemical BB: ACT10774
AK Scientific: H697
Aldrich CPR: CDS004208|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.23,-53.77,1,6,-1, 218.229, 6

Similar to: 16697274, 34427507, 34427508, 34432518, 34584140, ... 11 in total.
2555437
 
#95

AK Scientific: 7500AA
Aldrich CPR: BBO000437|ALDRICH
Anward: ANW-71865
Ark Pharm Building Blocks: AK165115, AK-64909
BePharm Building Blocks: B216326...30 total

ref: mol2, SDF, SMILES, flexibase
2.36,5.96,-40.6,2,2,1, 206.309, 3

Similar to: 4312787, 36163052,
12647844
 
#96

ChemMol: 30111817, 96708937, 44020789, 2000904, 44005868
eMolecules: 1835752
Molport: MolPort-000-005-155, MolPort-002-344-354
Acorn PharmaTech: ACN-S001745
ACT Chemical BB: ACT09572...68 total

ref: mol2, SDF, SMILES, flexibase
-1.90,0.84,-45.93,1,4,-1, 142.134, 1

Similar to: 32219069, 32219070, 32230893, 32230895, 38792187, ... 6 in total.
1545003
 
#97

ChemMol: 2102163
AK Scientific: 6480AA
Anward: ANW-71420
Ark Pharm Building Blocks: AK-87904
BePharm Building Blocks: B131536...27 total

ref: mol2, SDF, SMILES, flexibase
6.41,3.17,-43.47,1,4,1, 465.731, 10
lo: mol2, SDF, SMILES, flexibase
6.41,3.29,-104.32,2,4,2, 466.739, 10

Similar to: 4967030, 26416589, 1080711,
6850018
 
#98

ChemMol: 96709090, 96711870
AK Scientific: 9352AA
AKOS: AKOS005064518
Anward: ANW-62024
Ark Pharm Building Blocks: AK102550...31 total

ref: mol2, SDF, SMILES, flexibase
1.11,-4.64,-54.08,2,4,1, 267.374, 1

Similar to: 32108495, 32108496, 34232818, 34350773, 34350775, ... 13 in total.
13475011
 
#99

ChemMol: 97602251
BOC Sciences BB: 214335-16-7
ChemFuture PharmTech: CFP0037
Tetrahedron Building Blocks: TS73684
AKOS BB (make-on-demand): AKOS015966727...28 total

ref: mol2, SDF, SMILES, flexibase
3.45,9.23,-37.13,1,3,1, 268.764, 3

Similar to: 34229528, 34229529, 34230666, 34230667, 34336602, ... 11 in total.
7992850
 
#100

ChemMol: 97901097, 44033093
Active BioPharma: 2282
AKOS: AKOS005145991
Amadis Chemical: A847222
ChemFuture PharmTech: CFP0765...24 total

ref: mol2, SDF, SMILES, flexibase
3.40,8.58,-28.64,1,3,1, 292.406, 3

Similar to: 33848648, 38618819, 38780305,

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 = 428 ) limit 0,100

Smiles were