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4654657
 
#1

TCM Database @ Taiwan: 42540
Ark Pharm Building Blocks: AK-47157
Bide Pharmatech BB: BD139485
BOC Sciences BB: 1211-29-6, 183948-77-8
Cayman Chemical: 9000059...46 total

ref: mol2, SDF, SMILES, flexibase
2.12,3.26,-7.02,0,3,0, 224.3, 6

Similar to: 4975327, 4975331, 4975334, 32204889, 32204892, ... 34 in total.
121453
 
#2

ChemMol: 44013497, 44028949
eMolecules: 723762
AK Scientific: W4751, 1666AB
AKOS: AKOS000266693
Aldrich CPR: S340413|ALDRICH...60 total

ref: mol2, SDF, SMILES, flexibase
1.73,5.5,-9.44,1,4,0, 209.245, 4

Similar to: 4329098, 5818736, 32189800, 34520571, 34580240, ... 8 in total.
21992780
 
#3

ChemMol: 30107768
Molport: MolPort-019-918-637
AK Scientific: W9723
AKOS: AKOS015912182
Amadis Chemical: A845158...31 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.88,-9.25,1,5,0, 254.229, 5
hi: mol2, SDF, SMILES, flexibase
1.16,3.53,-44.89,0,5,-1, 253.221, 5

Similar to: 34433011, 34460619,
21992777
 
#4

ChemMol: 30107767, 44006111
Molport: MolPort-019-918-637
AK Scientific: W9723
AKOS: AKOS015912182
Amadis Chemical: A845158...35 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.86,-9.66,1,5,0, 254.229, 5
hi: mol2, SDF, SMILES, flexibase
1.16,3.61,-43.24,0,5,-1, 253.221, 5

Similar to: 34433011, 34460619,
34067865
 
#5

ChemMol: 30107770
Molport: MolPort-019-918-637
AK Scientific: W9723
AKOS: AKOS015912182
Amadis Chemical: A845158...28 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.88,-9.63,1,5,0, 254.229, 5
hi: mol2, SDF, SMILES, flexibase
1.16,3.63,-43.1,0,5,-1, 253.221, 5

Similar to: 34433011, 34460619,
96034859
 
#6

Acros Organics: 40834, 17200, 40833
Alfa-Aesar: 33310, A12810, 39458
Ark Pharm Building Blocks: AK114591
Bide Pharmatech BB: BD125586
BioSynth: W-100164...44 total

ref: mol2, SDF, SMILES, flexibase
0.30,-2.24,-4.9,2,4,0, 116.12, 1
96034860
 
#7

eMolecules: 206844134
Acros Organics: 17270
AK Scientific: P119
Alfa-Aesar: B24328
Angene Building Blocks: AGN-PC-0NZOCG...35 total

ref: mol2, SDF, SMILES, flexibase
-0.56,-1.07,-9.54,4,4,0, 108.104, 0
967521
 
#8

ChemMol: 30111163, 30104682
L99A non-binders: D-CAMPHOR, DL-CAMPHOR
Molport: MolPort-002-506-944
TCM Database @ Taiwan: 27778, tcm03_001122
Acros Organics: 10819...238 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.58,-4.63,0,1,0, 152.237, 0

Similar to: 4082362, 4082363, 4277011, 4429850, 4583026, ... 49 in total.
12462981
 
#9

AK Scientific: 4678AB
AKOS: AKOS000359912
Aldrich CPR: CDS020180|ALDRICH
Alinda: IBS-B0014697
Alinda Building Blocks: ALBB-014697...29 total

ref: mol2, SDF, SMILES, flexibase
1.51,3.62,-6.3,1,2,0, 147.177, 0

Similar to: 32006007, 32006832, 34325910, 34380846, 39565181, ... 7 in total.
2568082
 
#10

ChemMol: 30115128, 97600179
Apexmol Building Blocks: AM83625
APIChem: AC-9641
Ark Pharm Building Blocks: AK-90328
Bachem: A-4710...39 total

ref: mol2, SDF, SMILES, flexibase
3.41,-0.51,-54.44,1,5,-1, 320.39, 6

Similar to: 38290164,
12649959
 
#11

ChemMol: 44020090, 97603165
eMolecules: 1837200
Molport: MolPort-002-499-712, MolPort-002-501-522
AKOS: AKOS005747179
American Custom Chemicals Corp.: CHM0016149...37 total

ref: mol2, SDF, SMILES, flexibase
-1.72,0.25,-46.14,4,5,0, 211.217, 4

Similar to: 33861546, 44196769, 44196776, 44197021, 44215950, ... 14 in total.
2586164
 
#12

ChemMol: 44020091, 97603166, 30117432
eMolecules: 1837200
Molport: MolPort-002-501-522
ACT Chemical BB: ACT05217
AKOS: AKOS005747179...41 total

ref: mol2, SDF, SMILES, flexibase
-1.72,0.23,-46.31,4,5,0, 211.217, 4

Similar to: 2597545, 12649959, 33861546, 44196769, 44196776, ... 14 in total.
403159
 
#13

ChemMol: 97600202
eMolecules: 740681
Molport: MolPort-001-593-169
AKOS: AKOS003325207
Alinda: IVK/6025773...54 total

ref: mol2, SDF, SMILES, flexibase
-0.34,4.54,-36.27,3,3,0, 221.281, 3

Similar to: 2597519, 34381230, 34885046, 39295401, ... 4 in total.
1236370
 
#14

Amidohydrolase AH-EFI: 5-aminouracil
ChemMol: 96700071
eMolecules: 477299
Scientific Exchange (make on demand): POD_29/0624
Acros Organics: 22682...65 total

ref: mol2, SDF, SMILES, flexibase
-1.27,-3.4,-10.65,4,5,0, 127.103, 0

Similar to: 5783763,
15020559
 
#15

Molport: MolPort-020-002-390
Anward: ANW-56844
Ark Pharm Building Blocks: AK100027
Bide Pharmatech BB: BD23097
Chembo Pharma: KB-24496...13 total

ref: mol2, SDF, SMILES, flexibase
0.77,0.99,-8.6,1,4,0, 176.175, 1
8462065
 
#16

Alinda Building Blocks: ALBB-022976
Anward: ANW-57124
Ark Pharm Building Blocks: AK-72703
Bide Pharmatech BB: BD219286
Chembo Pharma: KB-194886...15 total

ref: mol2, SDF, SMILES, flexibase
0.37,1.72,-10.1,1,3,0, 144.561, 0
mid: mol2, SDF, SMILES, flexibase
0.83,-0.31,-40.21,0,3,-1, 143.553, 0
95708210
 
#17

AK Scientific: Y4289
Ark Pharm Building Blocks: AK-31284
Bide Pharmatech BB: BD206175
Boerchem Pharmatech BB: BC682269
Chembo Pharma: KB-233803...6 total

95935214
 
#18

AK Scientific: 2565AA
Ark Pharm Building Blocks: AK100827, AK-35301
Bide Pharmatech BB: BD158602
Chembo Pharma: KB-25353, KB-231480
Fluorochem: 220033...11 total

4284529
 
#19

ChemMol: 30202571, 44004931
eMolecules: 1061862
Molport: MolPort-001-815-954
ACT Chemical BB: ACT07849
AKOS: AKOS010367327...93 total

ref: mol2, SDF, SMILES, flexibase
2.74,0.16,-52.29,1,5,-1, 264.301, 7

Similar to: 34223022, 34223024, 34438988, 34634163, 34640104, ... 12 in total.
2545127
 
#20

ChemMol: 44007308, 80101301, 30113466
eMolecules: 474155
Molport: MolPort-016-582-441
Scientific Exchange (make on demand): F-434680
Acros Organics: 22801...81 total

ref: mol2, SDF, SMILES, flexibase
-2.65,-2.42,-63.28,3,7,-1, 189.147, 6

Similar to: 37115768,
38844511
 
#21

AK Scientific: 5315AA
Anward: ANW-57367
Ark Pharm Building Blocks: AK-28058
Bide Pharmatech BB: BD158314
Chembo Pharma: KB-68170...12 total

ref: mol2, SDF, SMILES, flexibase
2.66,7.84,-6.89,0,4,0, 254.289, 3
mid: mol2, SDF, SMILES, flexibase
2.66,10.37,-52.3,1,4,1, 255.297, 3
3831404
 
#22

ChemMol: 1030685, 30107597, 44006026
eMolecules: 5846657, 26425000, 929944, 29549578
Molport: MolPort-001-766-747, MolPort-003-926-508, MolPort-002-914-977, MolPort-023-282-729, MolPort-002-527-888
Scientific Exchange (make on demand): M-981905
TCM Database @ Taiwan: 37179...558 total

ref: mol2, SDF, SMILES, flexibase
3.06,7.18,-40.05,2,4,1, 325.432, 4
lo: mol2, SDF, SMILES, flexibase
3.06,7.62,-89.58,3,4,2, 326.44, 4

Similar to: 5194255, 5194324,
1226844
 
#23

ChemMol: 97900663
Molport: MolPort-001-600-603
Scientific Exchange (make on demand): M-662790
Active BioPharma: 1431
AK Scientific: W6155...55 total

ref: mol2, SDF, SMILES, flexibase
5.67,10.99,-15.22,2,4,0, 394.474, 5
hi: mol2, SDF, SMILES, flexibase
5.67,11.77,-66.25,1,4,-1, 393.466, 5
hi: mol2, SDF, SMILES, flexibase
5.67,10.87,-52.68,1,4,-1, 393.466, 5
lo: mol2, SDF, SMILES, flexibase
5.67,11.49,-29.84,3,4,1, 395.482, 5
lo: mol2, SDF, SMILES, flexibase
5.67,10.52,-29.65,3,4,1, 395.482, 5

Similar to: 1226846,
8698487
 
#24

AK Scientific: W3521
AKOS: AKOS015920036
Ark Pharm Building Blocks: AK-21977
BePharm Building Blocks: B159520
Bide Pharmatech BB: BD159520...18 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.15,-7.35,1,5,0, 257.311, 5

Similar to: 34343602, 34458333,
3860453
 
#25

Acros Organics: 11924, 40410, 41062
AK Scientific: U832, T217
Alfa-Aesar: L13251, A11659, A16554
Angene Building Blocks: AGN-PC-09ZKD9
Anward: ANW-65405...452 total

ref: mol2, SDF, SMILES, flexibase
3.69,5.23,-12.47,2,5,0, 332.311, 0
hi: mol2, SDF, SMILES, flexibase
3.69,6,-49.46,1,5,-1, 331.303, 0

Similar to: 4802914, 5157919, 5863599, 5863601, 5863605, ... 23 in total.
95841982
 
#26

AK Scientific: W9019
Ark Pharm Building Blocks: AK-78940
Bide Pharmatech BB: BD121754
Chembo Pharma: KB-296099, KB-128845
Fluorochem: 091659...12 total

40433824
 
#27

ChemMol: 30113644, 44010796
Alfa-Aesar: H33577
APIChem: AC-8038
Bide Pharmatech BB: BD134248
PubChem: 67317815...16 total

ref: mol2, SDF, SMILES, flexibase
4.25,7.02,-49.84,2,4,-1, 391.572, 4
lo: mol2, SDF, SMILES, flexibase
4.25,5.04,-9.96,3,4,0, 392.58, 4
40433823
 
#28

ChemMol: 30113644, 44010796
Alfa-Aesar: H33577
APIChem: AC-8038
Bide Pharmatech BB: BD134248
PubChem: 57937223...17 total

ref: mol2, SDF, SMILES, flexibase
4.25,7.23,-49.55,2,4,-1, 391.572, 4
lo: mol2, SDF, SMILES, flexibase
4.25,5.25,-10.49,3,4,0, 392.58, 4
40433822
 
#29

ChemMol: 30113644, 44010796
Alfa-Aesar: H33577
APIChem: AC-8038
Bide Pharmatech BB: BD134248
PubChem: 67317815...16 total

ref: mol2, SDF, SMILES, flexibase
4.25,7.28,-52,2,4,-1, 391.572, 4
lo: mol2, SDF, SMILES, flexibase
4.25,5.3,-9.53,3,4,0, 392.58, 4
5751223
 
#30

ChemMol: 30113644, 44010796
Alfa-Aesar: H33577
APIChem: AC-8038
Bide Pharmatech BB: BD134248
ChEMBL12: CHEMBL74719...19 total

ref: mol2, SDF, SMILES, flexibase
4.25,-2.59,-50.34,2,4,-1, 391.572, 4

Similar to: 3918159, 4175434, 4175436, 4529135, 4529136, ... 9 in total.
19203125
 
#31

ChemMol: 30107318, 44015060, 44001426, 30100962
Enolase via KEGG (EFI): C00864_2
Molport: MolPort-006-069-411
TCM Database @ Taiwan: tcm03_008913
AK Scientific: K012...200 total

ref: mol2, SDF, SMILES, flexibase
-1.18,-0.92,-48.11,3,6,-1, 218.229, 6

Similar to: 5356918,
266005
 
#32

ChemMol: 1032563, 44013897
eMolecules: 206844461
ACT Chemical BB: ACT07844
AK Scientific: Y8120, U931
AKOS: AKOS000263332...85 total

ref: mol2, SDF, SMILES, flexibase
0.49,4.58,-48.23,0,3,-1, 148.141, 2
lo: mol2, SDF, SMILES, flexibase
0.49,5.04,-61.2,1,3,0, 149.149, 2
2384760
 
#33

ChemMol: 30113793, 30202633
ACT Chemical BB: ACT08640
Alfa-Aesar: B21008
Anward: ANW-36131
Apexmol Building Blocks: AM20120701...58 total

ref: mol2, SDF, SMILES, flexibase
3.10,-3.05,-58.12,3,7,-1, 353.354, 7

Similar to: 32220995, 32220996, 1576230,
82046867
 
#34

AK Scientific: 4954AA
Anward: ANW-69710
Apexmol Building Blocks: AM85532
Ark Pharm Building Blocks: AK101033
Beijing Acemol Technology: AMBZ0322...11 total

ref: mol2, SDF, SMILES, flexibase
0.48,1.69,-11.82,1,3,0, 161.16, 1
77052788
 
#35

AK Scientific: 5053AA
Anward: ANW-69711
Ark Pharm Building Blocks: AK101032
Bide Pharmatech BB: BD241923
Chembo Pharma: KB-253045...8 total

ref: mol2, SDF, SMILES, flexibase
1.24,3.55,-16.1,1,4,0, 205.213, 3
82046866
 
#36

AK Scientific: 6439AC
Anward: ANW-69712
Ark Pharm Building Blocks: AK101031
Bide Pharmatech BB: BD241922
Chembo Pharma: KB-256593...15 total

ref: mol2, SDF, SMILES, flexibase
0.86,2.61,-16.38,1,4,0, 191.186, 2
38327522
 
#37

AK Scientific: 4876AC
Anward: ANW-69771
Ark Pharm Building Blocks: AK100957
Bide Pharmatech BB: BD241862
Chembo Pharma: KB-220011...9 total

ref: mol2, SDF, SMILES, flexibase
2.19,4.11,-7.78,1,5,0, 229.276, 7
82046732
 
#38

AK Scientific: 0690AB
Anward: ANW-70144
Ark Pharm Building Blocks: AK100540
Bide Pharmatech BB: BD241483
Chembo Pharma: KB-250336...8 total

ref: mol2, SDF, SMILES, flexibase
0.75,3.4,-9.11,0,4,0, 168.587, 0
82046622
 
#39

Anward: ANW-70413
Ark Pharm Building Blocks: AK100249
Bide Pharmatech BB: BD241216
Chembo Pharma: KB-244145
Tractus: TRA0073761...8 total

ref: mol2, SDF, SMILES, flexibase
2.63,4.1,-5.85,1,2,0, 290.942, 0
4171696
 
#40

ChemMol: 44033627
eMolecules: 2721758
Molport: MolPort-002-724-155
AK Scientific: 1472AC
Anward: ANW-57027...27 total

ref: mol2, SDF, SMILES, flexibase
0.47,0.69,-14.3,2,5,0, 187.158, 0
hi: mol2, SDF, SMILES, flexibase
0.93,-1.27,-47.57,1,5,-1, 186.15, 0
hi: mol2, SDF, SMILES, flexibase
0.93,-1.2,-61.69,1,5,-1, 186.15, 0
71186786
 
#41

AK Scientific: 0108AC
Anward: ANW-64293
Ark Pharm Building Blocks: AK103981
Bide Pharmatech BB: BD235520
Chembo Pharma: KB-46251...14 total

ref: mol2, SDF, SMILES, flexibase
1.35,2.47,-12.33,1,2,0, 167.595, 0
95940661
 
#42

AK Scientific: Z3976
Ark Pharm Building Blocks: AK153945, AK-22101
Bide Pharmatech BB: BD228134
Chembo Pharma: KB-218019
Fluorochem: 212610...9 total

95946273
 
#43

Molport: MolPort-020-172-593
AK Scientific: W7832, X7917
Ark Pharm Building Blocks: AK-86792
Bide Pharmatech BB: BD226643
Chembo Pharma: KB-39194...12 total

96287633
 
#44

AK Scientific: W3501
Ark Pharm Building Blocks: AK163464, AK-86626
Bide Pharmatech BB: BD226604
Chembo Pharma: KB-211670
Fluorochem: 048288...10 total

96068391
 
#45

Ark Pharm Building Blocks: AK-36243
Bide Pharmatech BB: BD22425
Chembo Pharma: KB-36851, KB-240705
Princeton BioMolecular Research: OSSL_830262
Tractus: TRA0082217...8 total

96068571
 
#46

Alfa-Aesar: H31081
Ark Pharm Building Blocks: AK-35752
Bide Pharmatech BB: BD21609
Chembo Pharma: KB-205285
Element Store BB: b2star-58520-04-0...9 total

129901
 
#47

ChemMol: 97602998, 30102525, 30114858, 42302141, 44002684, 44018950
eMolecules: 1097951
Molport: MolPort-002-084-819, MolPort-001-757-977, MolPort-002-501-483
Scientific Exchange (make on demand): POD_98/0193, H-041860
ACT Chemical BB: ACT09669...110 total

ref: mol2, SDF, SMILES, flexibase
-0.25,4.66,-38.17,3,3,0, 244.088, 3
hi: mol2, SDF, SMILES, flexibase
-0.25,4.34,-43.95,2,3,-1, 243.08, 3
2569502
 
#48

ChemMol: 97600439, 30114177, 44014365
AK Scientific: W4323
Alfa-Aesar: H62216
APIChem: AC-9065
Apollo Scientific: PC7119...37 total

ref: mol2, SDF, SMILES, flexibase
2.77,1.82,-48.52,1,5,-1, 300.281, 6
38192740
 
#49

Scientific Exchange (make on demand): POD_35/0863
AKOS: AKOS001067938
American Custom Chemicals Corp.: API0002179
Angene Building Blocks: AGN-PC-0OCAI3
Anward: ANW-18283...121 total

ref: mol2, SDF, SMILES, flexibase
1.35,6.51,-98.89,0,4,-2, 198.218, 2
lo: mol2, SDF, SMILES, flexibase
1.35,4.59,-46.26,1,4,-1, 199.226, 2

Similar to: 33832989, 34538463, 34538464,
38192741
 
#50

Scientific Exchange (make on demand): POD_35/0863
AKOS: AKOS001067938
Alfa-Aesar: H54042
American Custom Chemicals Corp.: API0002179
Angene Building Blocks: AGN-PC-0OCAI3...134 total

ref: mol2, SDF, SMILES, flexibase
1.35,6.5,-111,0,4,-2, 198.218, 2
lo: mol2, SDF, SMILES, flexibase
1.35,4.61,-50.71,1,4,-1, 199.226, 2

Similar to: 33832989, 34538463, 34538464,
38192742
 
#51

Scientific Exchange (make on demand): POD_35/0863
AKOS: AKOS001067938
American Custom Chemicals Corp.: API0002179
Angene Building Blocks: AGN-PC-0OCAI3
Anward: ANW-18283...125 total

ref: mol2, SDF, SMILES, flexibase
1.35,6.51,-98.45,0,4,-2, 198.218, 2
lo: mol2, SDF, SMILES, flexibase
1.35,4.6,-45.53,1,4,-1, 199.226, 2

Similar to: 33832989, 34538463, 34538464,
2585779
 
#52

eMolecules: 36751001
AK Scientific: W3733
AKOS: AKOS015899669
Aldrich CPR: CDS008337|ALDRICH
Apexmol Building Blocks: AM20050874...27 total

ref: mol2, SDF, SMILES, flexibase
1.09,2.89,-44.23,1,6,-1, 237.235, 4
82046865
 
#53

AK Scientific: 5060AA
Anward: ANW-69713
Ark Pharm Building Blocks: AK101030
Bide Pharmatech BB: BD241921
Chembo Pharma: KB-219586...12 total

ref: mol2, SDF, SMILES, flexibase
0.24,2.43,-42.62,1,4,-1, 176.151, 1
1841244
 
#54

Molport: MolPort-002-498-159
Acros Organics: 35781
AK Scientific: W4775, 1927AC
Anward: ANW-46340, ANW-69772
Apexmol Building Blocks: AM90246...56 total

ref: mol2, SDF, SMILES, flexibase
0.17,1.72,-44.45,3,3,1, 130.167, 4
34368315
 
#55

AK Scientific: 5314AA, 7353AA
Anward: ANW-69858
Ark Pharm Building Blocks: AK100861
Bide Pharmatech BB: BD241774
Chembo Pharma: KB-228432...12 total

ref: mol2, SDF, SMILES, flexibase
2.64,7.69,-8.12,0,4,0, 254.289, 3
mid: mol2, SDF, SMILES, flexibase
2.64,10.22,-45.61,1,4,1, 255.297, 3
4257197
 
#56

Molport: MolPort-008-628-410
AK Scientific: 9872AB
Anward: ANW-70076
Ark Pharm Building Blocks: AK100616
Bide Pharmatech BB: BD241551...19 total

ref: mol2, SDF, SMILES, flexibase
1.10,4.22,-11.01,1,5,0, 190.158, 1

Similar to: 17425960, 32224291,
21987931
 
#57

ChemMol: 44030625, 44034974
AK Scientific: W7448, 0836AC, Y6676
AKOS: AKOS015855722
Angene Building Blocks: AGN-PC-0NIHJU
Anward: ANW-70082...47 total

ref: mol2, SDF, SMILES, flexibase
1.09,4.49,-13.03,1,4,0, 241.294, 2
mid: mol2, SDF, SMILES, flexibase
1.55,5.75,-50.81,1,4,0, 241.294, 2
mid: mol2, SDF, SMILES, flexibase
1.09,6.14,-73.8,2,4,1, 242.302, 2
hi: mol2, SDF, SMILES, flexibase
1.55,3.3,-41.6,0,4,-1, 240.286, 2
34491952
 
#58

AK Scientific: 5318AA
Anward: ANW-70100
Ark Pharm Building Blocks: AK100592
Bide Pharmatech BB: BD241527
Chembo Pharma: KB-228440...11 total

ref: mol2, SDF, SMILES, flexibase
2.76,8.96,-39.65,1,2,1, 240.326, 3
hi: mol2, SDF, SMILES, flexibase
2.76,6.42,-4.94,0,2,0, 239.318, 3

Similar to: 42976429, 6772717,
82046979
 
#59

AK Scientific: 8129AB
Anward: ANW-70119
Ark Pharm Building Blocks: AK100570
Bide Pharmatech BB: BD241508
Chembo Pharma: KB-246709...9 total

ref: mol2, SDF, SMILES, flexibase
0.64,2.78,-14.49,1,6,0, 191.146, 1
mid: mol2, SDF, SMILES, flexibase
1.55,0.64,-45.22,0,6,-1, 190.138, 1
32299594
 
#60

AK Scientific: 1362AC
Anward: ANW-70121
Ark Pharm Building Blocks: AK100568
Bide Pharmatech BB: BD241506
Chembo Pharma: KB-250492...9 total

ref: mol2, SDF, SMILES, flexibase
1.55,0.86,-51.02,0,6,-1, 190.138, 1
mid: mol2, SDF, SMILES, flexibase
0.64,2.61,-11.45,1,6,0, 191.146, 1
11804406
 
#61

ChemMol: 44021623, 97805803
AK Scientific: V9389, Z2958
Anward: ANW-70135, ANW-56836
Apexmol Building Blocks: AM804583
Ark Pharm Building Blocks: AK100549...37 total

ref: mol2, SDF, SMILES, flexibase
2.01,0.65,-32.94,0,3,-1, 241.974, 1
40834475
 
#62

AK Scientific: 5877AC
Anward: ANW-56758
Ark Pharm Building Blocks: AK101028
Bide Pharmatech BB: BD238383
Chembo Pharma: KB-33092...17 total

ref: mol2, SDF, SMILES, flexibase
0.24,3.48,-67.89,1,4,-1, 176.151, 1

Similar to: 39320213, 39320215, 39346070,
66346274
 
#63

Molport: MolPort-023-330-725
AK Scientific: 1548AB
Anward: ANW-56757
Apexmol Building Blocks: AM86101
Ark Pharm Building Blocks: AK101029...20 total

ref: mol2, SDF, SMILES, flexibase
0.60,2.54,-47.05,1,4,-1, 176.151, 1
95731219
 
#64

eMolecules: 10585160, 492408
Acros Organics: AC10403, 25139
AK Scientific: Y9034, H582
Alfa-Aesar: L19108
Angene Building Blocks: AGN-PC-0JLT6R...35 total

34235495
 
#65

ChemMol: 96703227
AK Scientific: 2494AA
Ark Pharm Building Blocks: AK109735
BePharm Building Blocks: B228052
Bide Pharmatech BB: BD228052...11 total

ref: mol2, SDF, SMILES, flexibase
0.41,2.6,-41.6,1,4,-1, 152.129, 1
35270120
 
#66

ChemMol: 97300313, 44032813
Aldrich CPR: CDS008533|ALDRICH
Ark Pharm Building Blocks: AK-29770, AK150792
Bide Pharmatech BB: BD30147
Fluorochem: 304655...17 total

ref: mol2, SDF, SMILES, flexibase
-0.14,2.27,-49.39,2,3,1, 155.221, 0
hi: mol2, SDF, SMILES, flexibase
-0.14,0.88,-7.49,1,3,0, 154.213, 0

Similar to: 37812755, 37812756, 37812763, 37812764, 37812785, ... 9 in total.
35270119
 
#67

ChemMol: 97300313, 44032813
Aldrich CPR: CDS008533|ALDRICH
Ark Pharm Building Blocks: AK150792, AK-29770, AK151728
Bide Pharmatech BB: BD30147
BOC Sciences BB: 248914-28-5...22 total

ref: mol2, SDF, SMILES, flexibase
-0.14,2.27,-49.4,2,3,1, 155.221, 0
hi: mol2, SDF, SMILES, flexibase
-0.14,0.88,-6.71,1,3,0, 154.213, 0

Similar to: 37812741, 37812742, 37812753, 37812754, 37812755, ... 13 in total.
6096562
 
#68

Molport: MolPort-008-546-000
Aldrich CPR: CDS019174|ALDRICH
Ark Pharm Building Blocks: AK129109, AK150796
Bide Pharmatech BB: BD251853
Capot Chemical: 17554...34 total

ref: mol2, SDF, SMILES, flexibase
1.38,-1.66,-42.3,2,2,1, 178.255, 2

Similar to: 6096626, 35823147, 36477567, 38212786, ... 4 in total.
85221331
 
#69

AK Scientific: 4687AA
Anward: ANW-65090
Ark Pharm Building Blocks: AK103124
BePharm Building Blocks: B234663
Bide Pharmatech BB: BD234663...12 total

ref: mol2, SDF, SMILES, flexibase
2.60,2.7,-6.04,0,5,0, 243.016, 1
1081347
 
#70

eMolecules: 36719112
Molport: MolPort-000-006-400
Acros Organics: 29958
AK Scientific: V2534
AKOS: AKOS015996117...51 total

ref: mol2, SDF, SMILES, flexibase
3.44,-0.2,-54.84,1,5,-1, 228.268, 4

Similar to: 34445326, 34460425, 34460426, 34584269, 36461657, ... 7 in total.
2731858
 
#71

ChemMol: 1036245, 42303950
eMolecules: 704907
ACB Blocks: C6A-0005
Acros Organics: 45085
AK Scientific: 1942AE...70 total

ref: mol2, SDF, SMILES, flexibase
1.69,6.23,-37.5,2,1,1, 162.256, 1

Similar to: 21809807, 21809808, 21819622, 33961547, 34218080, ... 29 in total.
2562431
 
#72

ChemMol: 1036245, 42303950
eMolecules: 704907
ACB Blocks: C6A-0005
Acros Organics: 45085
AK Scientific: 1942AE...72 total

ref: mol2, SDF, SMILES, flexibase
1.69,6.22,-37.45,2,1,1, 162.256, 1

Similar to: 21809807, 21809808, 21819622, 33961547, 34218080, ... 29 in total.
2527452
 
#73

ChemMol: 97603017, 44010538
Molport: MolPort-002-501-474
AK Scientific: 4522AA
Anward: ANW-54596
Ark Pharm Building Blocks: AK140768...31 total

ref: mol2, SDF, SMILES, flexibase
1.36,7.73,-62.35,0,5,-1, 276.312, 3

Similar to: 44197869,
2527453
 
#74

ChemMol: 44010538
Molport: MolPort-002-501-556, MolPort-002-500-055
A&J Pharmtech: AJ-00613
AK Scientific: 4522AA
Anward: ANW-54596...33 total

ref: mol2, SDF, SMILES, flexibase
1.36,7.77,-62.4,0,5,-1, 276.312, 3

Similar to: 44197869,
39083142
 
#75

Molport: MolPort-028-959-288
AK Scientific: 5832AA
Ark Pharm Building Blocks: AK110326, AK144646
BePharm Building Blocks: B224140
Bide Pharmatech BB: BD265730...26 total

ref: mol2, SDF, SMILES, flexibase
0.08,2.11,-45.82,3,3,1, 144.194, 2
39083140
 
#76

Molport: MolPort-028-959-288
AK Scientific: 5832AA
Ark Pharm Building Blocks: AK110326, AK144646
BePharm Building Blocks: B224140
Bide Pharmatech BB: BD265730...26 total

ref: mol2, SDF, SMILES, flexibase
0.08,2.09,-45.97,3,3,1, 144.194, 2
78724800
 
#77

Molport: MolPort-028-959-288
AK Scientific: 5832AA
Ark Pharm Building Blocks: AK110326, AK144646
BePharm Building Blocks: B224140
Bide Pharmatech BB: BD265730...25 total

ref: mol2, SDF, SMILES, flexibase
0.08,2.12,-47.41,3,3,1, 144.194, 2
38915904
 
#78

Molport: MolPort-028-959-288
AK Scientific: 5832AA
Ark Pharm Building Blocks: AK110326, AK144646
BePharm Building Blocks: B224140
Bide Pharmatech BB: BD265730...28 total

ref: mol2, SDF, SMILES, flexibase
0.08,2.14,-45.37,3,3,1, 144.194, 2
2556550
 
#79

AKOS: AKOS008030339
Ark Pharm Building Blocks: AK133184
Bide Pharmatech BB: BD254735
Chembo Pharma: KB-210916
Mcule: MCULE-9025939489...13 total

ref: mol2, SDF, SMILES, flexibase
-0.36,-1.97,-51.65,2,7,-1, 273.309, 7

Similar to: 34374686, 34649717,
35262051
 
#80

AK Scientific: 5622AC
Anward: ANW-59646
Ark Pharm Building Blocks: AK-43763
BePharm Building Blocks: B211354
Bide Pharmatech BB: BD211354...15 total

ref: mol2, SDF, SMILES, flexibase
1.94,11.02,-86.34,4,8,2, 439.539, 6
mid: mol2, SDF, SMILES, flexibase
1.94,10.56,-57.17,3,8,1, 438.531, 6

Similar to: 36487329, 36487575, 40862436,
35322937
 
#81

ChemMol: 44033487
Anward: ANW-71837
Ark Pharm Building Blocks: AK-67710
BePharm Building Blocks: B208488
Bide Pharmatech BB: BD208488...13 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.95,-40,0,3,-1, 180.57, 1
35569940
 
#82

Ark Pharm Building Blocks: AK136039
Bide Pharmatech BB: BD168764
Chembo Pharma: KB-221359
Fluorochem: 330139
Lab Seeker Building Blocks: SC-30081...14 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.73,-49.34,0,3,-1, 204.127, 3
39052256
 
#83

Ark Pharm Building Blocks: AK-40704
Bide Pharmatech BB: BD164099
Chemstep: 18140
Key Organics Building Blocks: DS-3084
Molport BB: MolPort-004-758-043...8 total

ref: mol2, SDF, SMILES, flexibase
-0.38,-0.33,-51.31,1,5,-1, 139.09, 1
hi: mol2, SDF, SMILES, flexibase
-0.38,0.44,-100.08,0,5,-2, 138.082, 1

Similar to: 2570791,
226049
 
#84

eMolecules: 1503865
Scientific Exchange (make on demand): POD_09/0752
AK Scientific: 6501AE
AKOS: AKOS000266506
Alinda Building Blocks: ALBB-007402...43 total

ref: mol2, SDF, SMILES, flexibase
-0.10,4.24,-45.31,3,3,0, 209.289, 2

Similar to: 5188004, 34610482, 34610483,
226047
 
#85

eMolecules: 1503865
Scientific Exchange (make on demand): POD_09/0752
AK Scientific: 6501AE
AKOS: AKOS000266506
Alinda Building Blocks: ALBB-007402...48 total

ref: mol2, SDF, SMILES, flexibase
-0.10,4.24,-44.6,3,3,0, 209.289, 2

Similar to: 5188004, 34610482, 34610483,
8462926
 
#86

ChemMol: 44014125, 96705839, 2000697, 1036169
eMolecules: 1503140
Molport: MolPort-000-001-407
Scientific Exchange (make on demand): F-315356
ACB Blocks: C6A-0013...96 total

ref: mol2, SDF, SMILES, flexibase
2.80,6.96,-34.03,2,1,1, 176.283, 2

Similar to: 17147643, 34618749, 1533060, 8462925, 1747054, ... 7 in total.
8462925
 
#87

ChemMol: 44014125, 96705839, 2000697, 1036169
eMolecules: 1503140
Molport: MolPort-000-001-407
Scientific Exchange (make on demand): F-315356
ACB Blocks: C6A-0013...93 total

ref: mol2, SDF, SMILES, flexibase
2.80,6.96,-34.02,2,1,1, 176.283, 2

Similar to: 8462926, 17147643, 34618749,
2558237
 
#88

Acros Organics: 36302
AK Scientific: 3414AA
Alfa-Aesar: L18316, L18265
Ark Pharm Building Blocks: AK115222, AK146264
BePharm Building Blocks: B14017...28 total

ref: mol2, SDF, SMILES, flexibase
1.87,7.29,-46.05,0,4,-1, 221.232, 6

Similar to: 2578791, 34521913, 34521914, 37992260, 37992261, ... 5 in total.
1495010
 
#89

ChemMol: 96705547, 30115434, 44005096
eMolecules: 527804
AK Scientific: X4351
Alfa-Aesar: L17127
Anward: ANW-47509...52 total

ref: mol2, SDF, SMILES, flexibase
0.10,2.64,-40.74,0,4,-1, 147.113, 1
hi: mol2, SDF, SMILES, flexibase
3.83,13.34,-40.22,3,6,1, 485.53, 6

Similar to: 39051601,
2584017
 
#90

ChemMol: 30109331, 97300761, 96708444, 2001014, 44010857
AK Scientific: Z5573, S923
American Custom Chemicals Corp.: HCH0009271
Angene Building Blocks: AGN-PC-0O8681
Anward: ANW-56551...68 total

ref: mol2, SDF, SMILES, flexibase
-1.71,-0.79,-41.71,2,3,0, 133.122, 1

Similar to: 4899902, 2583796, 2583797,
155176
 
#91

ChemMol: 96707647, 83601178
Acros Organics: 11084
Aldrich CPR: CDS014153|ALDRICH
Alfa-Aesar: H28414
Anward: ANW-56106...57 total

ref: mol2, SDF, SMILES, flexibase
1.60,5.63,-48.56,2,2,1, 187.266, 1
1697246
 
#92

eMolecules: 985034
Molport: MolPort-001-788-928, MolPort-021-780-593
Acros Organics: 45049
AKOS: AKOS000349184
Alfa-Aesar: H34418...37 total

ref: mol2, SDF, SMILES, flexibase
1.34,4.32,-44.47,3,2,1, 161.228, 1

Similar to: 26511056, 26512909, 26512911, 26512913, ... 4 in total.
85223715
 
#93

Anward: ANW-68070
Ark Pharm Building Blocks: AK-80784
BePharm Building Blocks: B237710
Bide Pharmatech BB: BD237710
Chembo Pharma: KB-250250...11 total

ref: mol2, SDF, SMILES, flexibase
3.30,4.09,-6.69,0,2,0, 243.491, 0
34246964
 
#94

Amadis Chemical: A846927
Ark Pharm Building Blocks: AK135031
Bide Pharmatech BB: BD58916
Chembo Pharma: KB-234088
Fluorochem: 329479...10 total

ref: mol2, SDF, SMILES, flexibase
-0.78,-0.82,-8.02,5,5,0, 123.119, 0
2556561
 
#95

Molport: MolPort-020-004-707
AK Scientific: W8394
Apexmol Building Blocks: AM82220
Ark Pharm Building Blocks: AK-90350
Bachem: A-3025...19 total

ref: mol2, SDF, SMILES, flexibase
3.34,1.71,-6.97,2,6,0, 261.318, 7
2546217
 
#96

ChemMol: 96701347, 44034421
AK Scientific: 5221AA, Z2340
Angene Building Blocks: AGN-PC-0NKYZH
Anward: ANW-64104
Apexmol Building Blocks: AM20120506...40 total

ref: mol2, SDF, SMILES, flexibase
0.73,2.22,-7.31,0,3,0, 201.023, 2
49587241
 
#97

ChemMol: 97300833
AK Scientific: Y3180
Anward: ANW-59273
Ark Pharm Building Blocks: AK-39943
BePharm Building Blocks: B160925...25 total

ref: mol2, SDF, SMILES, flexibase
0.82,1.64,-11.62,0,4,0, 165.148, 1

Similar to: 34559227,
2386463
 
#98

ChemMol: 1036987
eMolecules: 31262926
Molport: MolPort-001-777-160
Apollo Scientific: PC7857
Ark Pharm Building Blocks: AK112737...19 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.96,-3.58,0,1,0, 139.173, 1

Similar to: 39269673,
4720638
 
#99

ChemMol: 44005266, 30116849, 30106312, 44009633, 80101407
eMolecules: 31236280
Molport: MolPort-020-006-873, MolPort-000-871-954, MolPort-027-637-252
Acorn PharmaTech: ACN-S002696, ACN-S002699
Acros Organics: 12996...1539 total

ref: mol2, SDF, SMILES, flexibase
-0.33,4.29,-14.09,0,2,0, 100.117, 2
1395437
 
#100

AK Scientific: 8069AE
Ark Pharm Building Blocks: AK124196
Bide Pharmatech BB: BD108766
Chembo Pharma: KB-248339
ChemDiv BuildingBlocks: BB01-6774...21 total

ref: mol2, SDF, SMILES, flexibase
2.55,-0.31,-7.44,1,4,0, 241.674, 3

Similar to: 34573433, 34573435,

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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 = 733 ) limit 0,100

Smiles were