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14593164
 
#1

ChemMol: 44014393
Molport: MolPort-003-849-073
AK Scientific: W4239
AKOS: AKOS015842471
Anward: ANW-50660...69 total

ref: mol2, SDF, SMILES, flexibase
0.04,3.68,-15.87,1,4,0, 134.142, 0
3164729
 
#2

ChemMol: 44019251
AK Scientific: W6250
AKOS: AKOS000278002
Angene Building Blocks: AGN-PC-0JLR2D
Anward: ANW-13881...32 total

ref: mol2, SDF, SMILES, flexibase
3.39,0.33,-6.32,0,1,0, 177.634, 0

Similar to: 34427657, 34427717, 39648278,
20357594
 
#3

ChemMol: 44500336, 96705695
AK Scientific: W6434
Angene Building Blocks: AGN-PC-0NJ5F8
Anward: ANW-51904
Ark Pharm Building Blocks: AK-23933...36 total

ref: mol2, SDF, SMILES, flexibase
0.02,-1.78,-6.46,2,4,0, 125.131, 1
14909878
 
#4

ChemMol: 97803138, 30102608, 44035137, 97805234, 44002751
AK Scientific: Y5461
American Custom Chemicals Corp.: CHM0292836
Anward: ANW-13957
Apexmol Building Blocks: AM803998...48 total

ref: mol2, SDF, SMILES, flexibase
1.66,2.89,-8.44,1,3,0, 146.149, 1
394832
 
#5

AK Scientific: W7700
AKOS: AKOS009045776
Aldrich CPR: CDS005319|ALDRICH
Anward: ANW-51727
Ark Pharm Building Blocks: AK-24451...31 total

ref: mol2, SDF, SMILES, flexibase
2.33,4.64,-9.15,0,2,0, 167.595, 1
19046141
 
#6

ChemMol: 44031858, 96711789
AK Scientific: X8457
Aldrich CPR: SYX00215|ALDRICH
Angene Building Blocks: AGN-PC-0OPC2J
Anward: ANW-51486...45 total

ref: mol2, SDF, SMILES, flexibase
2.60,4.85,-6.67,1,2,0, 231.48, 0
14985872
 
#7

ChemMol: 1030933, 44029242
AK Scientific: X8458
Angene Building Blocks: AGN-PC-0NUW1U
Anward: ANW-45582
Apexmol Building Blocks: AM802813...26 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.57,-10.14,1,3,0, 160.176, 1
ref: mol2, SDF, SMILES, flexibase
2.06,3.51,-8.37,1,3,0, 160.176, 1

Similar to: 39134139,
16678088
 
#8

ChemMol: 96711802
AK Scientific: 0032AA
Anward: ANW-54715
Ark Pharm Building Blocks: AK-32610
BePharm Building Blocks: B158601...15 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.01,-6.67,1,2,0, 211.062, 0

Similar to: 44700222,
14986039
 
#9

AK Scientific: X4679
Angene Building Blocks: AGN-PC-0OPCDJ
Anward: ANW-49807
Ark Pharm Building Blocks: AK-30510
BePharm Building Blocks: B158827...27 total

ref: mol2, SDF, SMILES, flexibase
2.41,3.2,-9.19,1,2,0, 197.035, 0
lo: mol2, SDF, SMILES, flexibase
2.41,3.47,-25.97,2,2,1, 198.043, 0

Similar to: 44712850,
14985774
 
#10

ChemMol: 97805453
AK Scientific: X8462
Anward: ANW-51214
Apexmol Building Blocks: AM20050387
Ark Pharm Building Blocks: AK-28209...29 total

ref: mol2, SDF, SMILES, flexibase
3.19,4.09,-6.32,1,2,0, 231.48, 0
21982170
 
#11

ChemMol: 97805907, 44027993
AK Scientific: X8466
Aldrich CPR: SYX00127|ALDRICH
Anward: ANW-14147
Apexmol Building Blocks: AM20050473...39 total

ref: mol2, SDF, SMILES, flexibase
2.46,4.85,-6.46,0,2,0, 211.062, 0
4693290
 
#12

ChemMol: 44020681, 30114454
eMolecules: 818464, 506967
Molport: MolPort-000-871-041
A&J Pharmtech: AJ-02339
Acros Organics: NP39860...95 total

ref: mol2, SDF, SMILES, flexibase
1.68,2.5,-3.53,1,2,0, 150.103, 1
ref: mol2, SDF, SMILES, flexibase
1.68,2.5,-5.78,1,2,0, 150.103, 1
40448060
 
#13

AK Scientific: 3724AD, X8492
Angene Building Blocks: AGN-PC-0OPLUB
Anward: ANW-50090
Ark Pharm Building Blocks: AK-29699
BePharm Building Blocks: B26262...23 total

ref: mol2, SDF, SMILES, flexibase
2.26,2.32,-3.09,1,2,0, 170.521, 1
ref: mol2, SDF, SMILES, flexibase
2.25,2.34,-2.67,1,2,0, 170.521, 1
hi: mol2, SDF, SMILES, flexibase
2.25,2.19,-28.86,0,2,-1, 169.513, 1
2577851
 
#14

ChemMol: 30112815, 44011021, 97804993
AK Scientific: S055
AKOS: AKOS005146055
Alfa-Aesar: H60138
Alinda Building Blocks: ALBB-015207...66 total

ref: mol2, SDF, SMILES, flexibase
0.90,1.57,-8.36,0,2,0, 113.141, 1
158634
 
#15

ChemMol: 44012009, 1030865
TCM Database @ Taiwan: 30395
Acros Organics: CC07104
AK Scientific: V2417
Aldrich CPR: CDS017525|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
2.03,2.17,-9.62,0,2,0, 146.145, 1

Similar to: 34318850, 34362294, 39593453,
13483707
 
#16

ChemMol: 96705942, 97805843
AK Scientific: X8494
AKOS: AKOS000506095
Aldrich CPR: CDS008542|ALDRICH
Anward: ANW-14248...52 total

ref: mol2, SDF, SMILES, flexibase
0.61,2.3,-8.49,0,2,0, 127.168, 1
1608352
 
#17

ChemMol: 97802132, 1203033, 44014181, 30113188, 44011977, 96705641
Acros Organics: 45461
AK Scientific: X8499, Z6262
Alfa-Aesar: H31507
Alinda Building Blocks: ALBB-014309...70 total

ref: mol2, SDF, SMILES, flexibase
2.25,-0.41,-6.44,0,3,0, 236.09, 3
34781176
 
#18

ChemMol: 44015663, 1037270
AK Scientific: X8505
AKOS: AKOS015853243
Angene Building Blocks: AGN-PC-07A7UI
Anward: ANW-46128...25 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.36,-8.45,0,1,0, 250.01, 1
158890
 
#19

ChemMol: 97801335, 44021264, 1035985, 96700833
eMolecules: 508752
Acorn PharmaTech: ACN-C001049
Acros Organics: CC18504
Angene Building Blocks: AGN-PC-0JVOF1...58 total

ref: mol2, SDF, SMILES, flexibase
1.06,6.62,-10.82,0,3,0, 172.187, 2

Similar to: 43504869,
20442771
 
#20

ChemMol: 44000290, 30111355
AK Scientific: X8509
Anward: ANW-49507
APIChem: AC-5035
Ark Pharm Building Blocks: AK-23647...34 total

ref: mol2, SDF, SMILES, flexibase
0.13,2.15,-5.97,0,3,0, 122.127, 1
163690
 
#21

ChemMol: 97800322, 44021583
eMolecules: 534216
Molport: MolPort-001-766-107
Acorn PharmaTech: ACN-S003187
Acros Organics: 10339...56 total

ref: mol2, SDF, SMILES, flexibase
2.11,-2.95,-5.68,2,3,0, 175.644, 1

Similar to: 5919190, 34588254, 34588255,
3883974
 
#22

ChemMol: 44003870, 30104306
eMolecules: 887429
Molport: MolPort-000-002-591
Acros Organics: CC53609
AK Scientific: X8519...68 total

ref: mol2, SDF, SMILES, flexibase
1.01,0.47,-6.66,1,2,0, 143.573, 1
154066
 
#23

ChemMol: 1203234, 97802110, 98002324, 44000155, 30113341, 1033309, 42306856
Acros Organics: 45430
Aldrich CPR: CDS004733|ALDRICH
Alfa-Aesar: H54448
Angene Building Blocks: AGN-PC-0KKOCX...75 total

ref: mol2, SDF, SMILES, flexibase
-0.38,2.28,-8.4,0,3,0, 108.1, 1
14983272
 
#24

ChemMol: 44027573, 51501688
AK Scientific: X8532
Aldrich CPR: CDS015706|ALDRICH
Angene Building Blocks: AGN-PC-000L9P
Anward: ANW-50086...35 total

ref: mol2, SDF, SMILES, flexibase
0.92,3.1,-8.5,0,2,0, 121.139, 1
6643328
 
#25

ChemMol: 96706587, 44014374
A&J Pharmtech: AJ-03000, AJ-01175
Adesis: 4-127
AK Scientific: X8536
Aldrich CPR: ADE000889|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
0.89,1.67,-7.63,3,3,0, 133.154, 0
ref: mol2, SDF, SMILES, flexibase
0.60,1.45,-13.13,2,3,0, 133.154, 0
mid: mol2, SDF, SMILES, flexibase
0.89,1.91,-27.74,4,3,1, 134.162, 0
lo: mol2, SDF, SMILES, flexibase
0.60,1.9,-38.11,3,3,1, 134.162, 0

Similar to: 44712800,
14984902
 
#26

ChemMol: 97805618, 96712343, 96710249
Molport: MolPort-016-582-301
Acorn PharmaTech: ACN-S002728
AK Scientific: W4084, X8537
AKOS: AKOS005214187...59 total

ref: mol2, SDF, SMILES, flexibase
0.67,1.71,-6.81,3,3,0, 133.154, 0
ref: mol2, SDF, SMILES, flexibase
0.36,0.96,-33.39,3,3,1, 134.162, 0
lo: mol2, SDF, SMILES, flexibase
0.36,1.42,-92.31,4,3,2, 135.17, 0
lo: mol2, SDF, SMILES, flexibase
0.67,1.94,-29.35,4,3,1, 134.162, 0

Similar to: 44712645, 44712800,
40448867
 
#27

ChemMol: 44024860, 83600128
AK Scientific: X8539
AKOS: AKOS015851971
Angene Building Blocks: AGN-PC-0OQ7ZY
Anward: ANW-50369...29 total

ref: mol2, SDF, SMILES, flexibase
1.04,3.65,-5.62,0,4,0, 217.022, 2
3883725
 
#28

ChemMol: 97805320, 1202774, 30112149, 1032606, 96706557, 44007409, 51500933
Molport: MolPort-000-002-592, MolPort-015-144-181
A&J Pharmtech: AJ-00960
Acros Organics: CC53604
Adesis: 2-139...81 total

ref: mol2, SDF, SMILES, flexibase
1.46,2.89,-9.91,0,2,0, 141.557, 1
168490
 
#29

AK Scientific: X8548
Aldrich CPR: CDS009588|ALDRICH
Alinda Building Blocks: ALBB-015208
Angene Building Blocks: AGN-PC-0KKPQ3
Anward: ANW-51625...46 total

ref: mol2, SDF, SMILES, flexibase
2.82,0.18,-9.05,0,2,0, 189.239, 2

Similar to: 32219359,
156439
 
#30

ChemMol: 30106204, 1036473, 42301266, 97801219, 30200849, 44005204
eMolecules: 515800
Acorn PharmaTech: ACN-S002843, ACN-S004109
Acros Organics: 39954
Alfa-Aesar: L16228...77 total

ref: mol2, SDF, SMILES, flexibase
2.31,5.17,-8.84,1,3,0, 175.187, 2

Similar to: 38437123,
39052643
 
#31

ChemMol: 44035116
AK Scientific: X8553
Anward: ANW-51255
Apexmol Building Blocks: AM802834
Ark Pharm Building Blocks: AK-24639...26 total

ref: mol2, SDF, SMILES, flexibase
0.44,1.85,-3.84,2,3,0, 129.55, 0
2581075
 
#32

AK Scientific: Y3523
Aldrich CPR: CDS006921|ALDRICH
Ark Pharm Building Blocks: AK-44210
BePharm Building Blocks: B25943
Bide Pharmatech BB: BD25943...26 total

ref: mol2, SDF, SMILES, flexibase
2.78,1.77,-6.14,0,1,0, 154.596, 1

Similar to: 36532848,
14982095
 
#33

ChemMol: 44013311, 51501887, 97300669, 30203766, 30112438, 97802695
Molport: MolPort-020-168-236
AK Scientific: X3522, V0628
Angene Building Blocks: AGN-PC-006QJP
Anward: ANW-14508...64 total

ref: mol2, SDF, SMILES, flexibase
0.75,0.71,-6.52,2,3,0, 124.143, 1

Similar to: 34962969, 37024549, 39051513,
13283752
 
#34

ChemMol: 51500820, 44006496, 44001616, 1033066, 30111263, 97803515, 1203149
eMolecules: 24825301
Molport: MolPort-016-583-106
A&J Pharmtech: AJ-02757
AK Scientific: N224...99 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.91,-3.11,0,1,0, 172.025, 0
lo: mol2, SDF, SMILES, flexibase
1.89,4.19,-33.05,1,1,1, 173.033, 0
40448864
 
#35

Ark Pharm Building Blocks: AK-25136
Chembo Pharma: KB-203041
Novochemy Building Blocks: NC-0055
PubChem: 45790075
SureChEMBL: SCHEMBL3250132...5 total

ref: mol2, SDF, SMILES, flexibase
1.44,5.1,-7.52,0,5,0, 221.26, 3
40448623
 
#36

Ark Pharm Building Blocks: AK-25135
Boerchem Pharmatech BB: BC232835
Chembo Pharma: KB-203045
Novochemy Building Blocks: NC-0056
PubChem: 52987628...6 total

ref: mol2, SDF, SMILES, flexibase
0.37,2.67,-8.37,0,6,0, 223.232, 3
3164652
 
#37

ChemMol: 51503169
eMolecules: 3150182
Molport: MolPort-005-310-542
Aldrich CPR: T318795|ALDRICH
Ark Pharm Building Blocks: AK-30224...36 total

ref: mol2, SDF, SMILES, flexibase
2.04,-0.42,-6.31,1,2,0, 144.177, 1

Similar to: 32002508,
2512364
 
#38

ChemMol: 97801181, 1031181, 83601330, 44000136
eMolecules: 506810
Acorn PharmaTech: ACN-S003104
Acros Organics: 37768
AK Scientific: 0841AA...87 total

ref: mol2, SDF, SMILES, flexibase
0.39,1.36,-10.17,0,2,0, 113.141, 1
21994066
 
#39

ChemMol: 44027904
ACT Chemical BB: ACT05320
AK Scientific: X8605
AKOS: AKOS005137919
Amadis Chemical: A847992...30 total

ref: mol2, SDF, SMILES, flexibase
2.31,5.48,-7.4,0,2,0, 213.03, 0

Similar to: 32098861, 34583936, 34583937, 39321081, ... 4 in total.
2541332
 
#40

ChemMol: 30109292, 44015424, 1037258, 44015080, 98002438, 97805273, 1200257, 1037402
AK Scientific: X2713
Aldrich CPR: CDS004622|ALDRICH
Alfa-Aesar: H26109
Angene Building Blocks: AGN-PC-0LW7YV...61 total

ref: mol2, SDF, SMILES, flexibase
3.36,3.11,-6.01,0,1,0, 253.017, 2

Similar to: 38410168,
164493
 
#41

ChemMol: 1201063, 98000826, 44017701, 30110810, 44001939, 1036944, 97800445
eMolecules: 503478
Acros Organics: 11536
ACT Chemical BB: ACT00133
AKOS: AKOS000119595...90 total

ref: mol2, SDF, SMILES, flexibase
1.06,0.96,-6.25,2,3,0, 153.181, 2
8764190
 
#42

ChemMol: 30111674
AK Scientific: 0686AA
AKOS: AKOS008127606
Angene Building Blocks: AGN-PC-00BOOY
Anward: ANW-59887...32 total

ref: mol2, SDF, SMILES, flexibase
1.48,3.46,-5.48,2,3,0, 186.214, 2

Similar to: 36667212, 36667275, 36984665,
403504
 
#43

ChemMol: 2000089, 30104534, 44010641, 97300495, 97801679, 1030515, 97300496, 2101245, 96708171, 30104536, 44010642, 97300497
eMolecules: 1836045
Molport: MolPort-000-001-600, MolPort-000-004-322
Acorn PharmaTech: ACN-S003379
Acros Organics: 39758...151 total

ref: mol2, SDF, SMILES, flexibase
0.87,1.32,-7.88,1,4,0, 187.239, 2

Similar to: 34428300, 34473291, 34586654, 34586655, ... 4 in total.
403503
 
#44

ChemMol: 30104393, 97300496, 2000088, 44003941, 83600638, 97801678, 30104534, 44010641, 97300495, 96706437
eMolecules: 1836045
Molport: MolPort-000-001-600
A&J Pharmtech: AJ-00905
Acorn PharmaTech: ACN-S002110...157 total

ref: mol2, SDF, SMILES, flexibase
0.87,1.31,-7.04,1,4,0, 187.239, 2

Similar to: 34428300, 34473291, 34586654, 34586655, ... 4 in total.
2510757
 
#45

ChemMol: 44011731, 1031561
eMolecules: 920373
Acros Organics: CC67423
ACT Chemical BB: ACT05461
AK Scientific: X8652...44 total

ref: mol2, SDF, SMILES, flexibase
1.45,4.65,-5.29,0,3,0, 172.224, 4

Similar to: 34957361, 39381860,
35270079
 
#46

ChemMol: 44031687
AK Scientific: Y6629
AKOS: AKOS015835838
Anward: ANW-44870
Ark Pharm Building Blocks: AK-27484...26 total

ref: mol2, SDF, SMILES, flexibase
2.09,3.58,-7.96,1,3,0, 232.468, 0
14628933
 
#47

ChemMol: 1202522, 44022834, 98002165
AK Scientific: R200
Aldrich CPR: CDS003857|ALDRICH
Alfa-Aesar: H61892
Anward: ANW-14838...44 total

ref: mol2, SDF, SMILES, flexibase
2.90,4.49,-3.93,0,1,0, 205.026, 1
32911293
 
#48

ChemMol: 44030793
Molport: MolPort-009-194-356
AK Scientific: X8657
Aldrich CPR: CDS020178|ALDRICH
Amadis Chemical: A846991...38 total

ref: mol2, SDF, SMILES, flexibase
1.13,1.76,-7.37,1,3,0, 167.139, 0

Similar to: 34384150, 34469499, 38482147,
323219
 
#49

ChemMol: 44031013
eMolecules: 1413376
Scientific Exchange (make on demand): H-035342
Acros Organics: CC33904
AK Scientific: X8659...70 total

ref: mol2, SDF, SMILES, flexibase
2.74,6.61,-6.99,0,2,0, 189.258, 2

Similar to: 5315520, 34338625, 36754938, 36785654, 36785655, ... 6 in total.
22995854
 
#50

ChemMol: 96706586
A&J Pharmtech: AJ-01260, AJ-02998
Adesis: 4-184
AK Scientific: X8669
Aldrich CPR: ADE000933|ALDRICH...34 total

ref: mol2, SDF, SMILES, flexibase
2.14,4.76,-6.23,1,2,0, 186.136, 1
35364685
 
#51

AK Scientific: X8675
AKOS: AKOS009495739
Angene Building Blocks: AGN-PC-0NE0WC
Anward: ANW-50508
Ark Pharm Building Blocks: AK-28032...29 total

ref: mol2, SDF, SMILES, flexibase
3.37,6.56,-6.82,1,3,0, 268.11, 3
2383949
 
#52

ChemMol: 44007902, 30115350
Alinda Building Blocks: ALBB-019698
Angene Building Blocks: AGN-PC-0LW574
Anward: ANW-50479
APIChem: AC-22705...48 total

ref: mol2, SDF, SMILES, flexibase
3.39,0.14,-4.83,1,3,0, 268.11, 3
44200395
 
#53

Chembo Pharma: KB-253602
Novochemy Building Blocks: NC-0084
Tractus: TRA0004625
Sphinx Make-on-demand: IN-1-0034
PubChem: 44155267...7 total

ref: mol2, SDF, SMILES, flexibase
3.08,6.7,-11.96,1,3,0, 268.11, 3
577553
 
#54

ChemMol: 44025913
eMolecules: 1488982, 5759950
Molport: MolPort-002-499-042
Scientific Exchange (make on demand): M-200418, H-079241
AK Scientific: X8683...81 total

ref: mol2, SDF, SMILES, flexibase
0.55,3.68,-10,2,3,0, 147.181, 0
2541622
 
#55

AK Scientific: X8689
AKOS: AKOS010470334
Anward: ANW-50324
Ark Pharm Building Blocks: AK-22085
BePharm Building Blocks: B162720...23 total

ref: mol2, SDF, SMILES, flexibase
2.38,-2.02,-7.34,2,4,0, 237.299, 5

Similar to: 39128141, 44238834, 44239719, 44239722, 44239725, ... 7 in total.
1851033
 
#56

AK Scientific: U064
Ark Pharm Building Blocks: AK-48611
BePharm Building Blocks: B148415
Chembo Pharma: KB-208338
Fluorochem: 065191...37 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.06,-5.5,0,1,0, 134.178, 2

Similar to: 39251019,
14982499
 
#57

ChemMol: 51501885
Molport: MolPort-004-747-033
AK Scientific: X8699
AKOS: AKOS000320587
Alinda Building Blocks: ALBB-026998...37 total

ref: mol2, SDF, SMILES, flexibase
1.70,1.96,-6.99,0,2,0, 147.586, 1
2560118
 
#58

ChemMol: 44009051, 1033870, 30108504, 1201199, 1032280, 98001876, 1033583
AK Scientific: V1281
AKOS: AKOS015889715
Alfa-Aesar: B20329
Angene Building Blocks: AGN-PC-0KK7PU...55 total

ref: mol2, SDF, SMILES, flexibase
2.71,-0.05,-3.3,1,1,0, 208.989, 0
32914668
 
#59

AK Scientific: X8728
Angene Building Blocks: AGN-PC-03R8EY
Anward: ANW-47399
Apollo Scientific: PC7202
Ark Pharm Building Blocks: AK-40368...29 total

ref: mol2, SDF, SMILES, flexibase
1.31,2.03,-9.25,1,2,0, 137.113, 0
hi: mol2, SDF, SMILES, flexibase
1.31,2.81,-33.26,0,2,-1, 136.105, 0

Similar to: 39953635,
2534099
 
#60

ChemMol: 44033230, 96705680
eMolecules: 2722378, 37153479
Molport: MolPort-000-861-615
Scientific Exchange (make on demand): M-982003
AK Scientific: W4577...75 total

ref: mol2, SDF, SMILES, flexibase
3.09,-1.76,-3,1,1,0, 212.09, 0
5588957
 
#61

ChemMol: 2100355, 96706444
A&J Pharmtech: AJ-01720
Adesis: 8-127
AK Scientific: X8763
AKOS: AKOS015835854...41 total

ref: mol2, SDF, SMILES, flexibase
1.04,-0.77,-6.85,1,4,0, 229.033, 0
lo: mol2, SDF, SMILES, flexibase
1.04,0.09,-35.9,2,4,1, 230.041, 0
64033437
 
#62

AK Scientific: 1261AA
Anward: ANW-53841
Ark Pharm Building Blocks: AK-40275
BePharm Building Blocks: B160080
Bide Pharmatech BB: BD160080...15 total

ref: mol2, SDF, SMILES, flexibase
2.44,2.89,-4.61,1,1,0, 201.063, 1
8699801
 
#63

ChemMol: 44500058, 44025161
eMolecules: 31511082
AK Scientific: X8770, 4993AA
Aldrich CPR: VBP00109|ALDRICH
Alfa-Aesar: H61070...50 total

ref: mol2, SDF, SMILES, flexibase
2.45,3.17,-4.22,1,2,0, 214.062, 0

Similar to: 32152659, 34434137, 43458165,
40448837
 
#64

ChemMol: 44032502, 44500060, 30115751
Molport: MolPort-020-180-002
AK Scientific: X9901, X8771
AKOS: AKOS015834708, AKOS015920100
Aldrich CPR: CDS019381|ALDRICH...57 total

ref: mol2, SDF, SMILES, flexibase
2.45,3.17,-4.81,1,2,0, 214.062, 0
1617603
 
#65

Scientific Exchange (make on demand): F-332184
AKOS: AKOS000215366
Alinda Building Blocks: ALBB-005530
Ark Pharm Building Blocks: AK-32763
Chembo Pharma: KB-163038...29 total

ref: mol2, SDF, SMILES, flexibase
3.18,-0.11,-5.11,2,3,0, 215.252, 3

Similar to: 38605107,
16159787
 
#66

ChemMol: 44012350, 30115981, 98002605
AK Scientific: X2724
Angene Building Blocks: AGN-PC-0KL25A
Anward: ANW-49693
Apexmol Building Blocks: AM20020161...44 total

ref: mol2, SDF, SMILES, flexibase
1.57,4.69,-12.43,0,2,0, 149.124, 1
12471558
 
#67

ChemMol: 30106092, 44005130
AK Scientific: X8801
Anward: ANW-15327
Apexmol Building Blocks: AM82996
Ark Pharm Building Blocks: AK-46937...33 total

ref: mol2, SDF, SMILES, flexibase
2.63,2.97,-6.35,1,3,0, 231.045, 2

Similar to: 34383970, 44201087,
2572880
 
#68

ChemMol: 30110201, 1037293, 44009803
AK Scientific: X8802
Alfa-Aesar: H26123
Angene Building Blocks: AGN-PC-0KKYSC
Anward: ANW-15331...42 total

ref: mol2, SDF, SMILES, flexibase
2.61,3.6,-11.22,0,2,0, 204.147, 3

Similar to: 39712968,
2518225
 
#69

ChemMol: 44014638
AK Scientific: Y5062
AKOS: AKOS015855271
Anward: ANW-54061
Ark Pharm Building Blocks: AK-32786...28 total

ref: mol2, SDF, SMILES, flexibase
1.97,3.57,-7.29,2,3,0, 230.061, 2

Similar to: 45625826,
1437415
 
#70

ChemMol: 44031820, 30109796, 30200324
eMolecules: 527738
Molport: MolPort-000-000-445
Scientific Exchange (make on demand): M-171555
Acros Organics: 35022...56 total

ref: mol2, SDF, SMILES, flexibase
2.33,-0.28,-6.92,2,3,0, 230.061, 2
32099840
 
#71

Aldrich CPR: BBO000589|ALDRICH
Ark Pharm Building Blocks: AK-32790
Bide Pharmatech BB: BD37977
Chembo Pharma: KB-240878
Fluorochem: 332455...15 total

ref: mol2, SDF, SMILES, flexibase
3.12,5.47,-4.52,0,1,0, 226.048, 0
153020
 
#72

ChemMol: 30103480
eMolecules: 723624
AK Scientific: V1655
Aldrich CPR: CDS015198|ALDRICH
Alfa-Aesar: A12073...47 total

ref: mol2, SDF, SMILES, flexibase
0.68,2.93,-11.48,1,2,0, 109.128, 1
55168379
 
#73

Chembo Pharma: KB-37343
Novochemy Building Blocks: NC-0123
AKOS BB (make-on-demand): AKOS015913181
Fluorochem (Depleted): 304291
Molport BB (Depleted): MolPort-009-197-514...8 total

ref: mol2, SDF, SMILES, flexibase
3.34,6.54,-3.4,0,0,0, 181.032, 0
14982296
 
#74

ChemMol: 44014639, 51500740
AK Scientific: X8836
AKOS: AKOS005064557
Anward: ANW-49105
Ark Pharm Building Blocks: AK-28720...30 total

ref: mol2, SDF, SMILES, flexibase
3.81,6.64,-5.04,0,1,0, 234.096, 1
lo: mol2, SDF, SMILES, flexibase
3.81,6.92,-30.29,1,1,1, 235.104, 1

Similar to: 34576957,
403324
 
#75

ChemMol: 44009682, 1036683, 42301388
A&J Pharmtech: AJ-00045
Acros Organics: 43756
AK Scientific: X8845
AKOS: AKOS009156369...40 total

ref: mol2, SDF, SMILES, flexibase
3.17,-0.5,-4.49,1,1,0, 210.074, 0
3850328
 
#76

ChemMol: 97800073, 30100941, 44010696
eMolecules: 527497
Acros Organics: 12612
AK Scientific: H074
AKOS: AKOS000120808...79 total

ref: mol2, SDF, SMILES, flexibase
2.27,1.14,-7.3,0,2,0, 176.215, 1

Similar to: 34438715, 34450265, 34451614, 36160314, 36202106, ... 11 in total.
5177600
 
#77

ChemMol: 44033232, 44035092
Acros Organics: CC28404
AK Scientific: X8864
Alfa-Aesar: H63651
Angene Building Blocks: AGN-PC-0M0OMW...36 total

ref: mol2, SDF, SMILES, flexibase
1.76,0.88,-9.47,0,2,0, 171.199, 1
lo: mol2, SDF, SMILES, flexibase
1.76,0.93,-32.87,1,2,1, 172.207, 1

Similar to: 39119568, 1526652,
36533266
 
#78

ChemMol: 44016441, 97806130, 44028530
AK Scientific: X8867
Aldrich CPR: CDS019644|ALDRICH
Angene Building Blocks: AGN-PC-071350
Anward: ANW-50911...41 total

ref: mol2, SDF, SMILES, flexibase
2.79,4.33,-4.59,1,2,0, 211.062, 0
40448443
 
#79

AK Scientific: X8887
AKOS: AKOS015835547
Angene Building Blocks: AGN-PC-07HAWT
Anward: ANW-51226
Ark Pharm Building Blocks: AK-27825...26 total

ref: mol2, SDF, SMILES, flexibase
0.95,2.76,-6.38,1,3,0, 213.034, 0
40448470
 
#80

Chembo Pharma: KB-192870
Novochemy Building Blocks: NC-0134
Alfa Chemistry (Depleted): ACM109347435
PubChem: 45789747
SureChEMBL: SCHEMBL1932991...7 total

ref: mol2, SDF, SMILES, flexibase
3.02,6.09,-5.99,0,1,0, 246.047, 2
2581068
 
#81

AK Scientific: Y7020
Anward: ANW-66638
Ark Pharm Building Blocks: AK-32829
BePharm Building Blocks: B45055
BioSynth: W-204715...19 total

ref: mol2, SDF, SMILES, flexibase
2.72,5.59,-7.18,0,1,0, 199.047, 2

Similar to: 39295754, 39295756,
44117024
 
#82

Molport: MolPort-014-759-304
AK Scientific: X8975
AKOS: AKOS012064517
Anward: ANW-51218
Ark Pharm Building Blocks: AK-31569...31 total

ref: mol2, SDF, SMILES, flexibase
1.03,3,-4.87,0,2,0, 173.013, 0
34435727
 
#83

ChemMol: 97806157
AK Scientific: Y7050
Angene Building Blocks: AGN-PC-003DOM
Ark Pharm Building Blocks: AK-40873
BioSynth: W-200831...22 total

ref: mol2, SDF, SMILES, flexibase
2.02,2.89,-3.66,0,1,0, 178.054, 0
40448747
 
#84

ChemMol: 44030555
ACT Chemical BB: ACT07327
AK Scientific: X8987
AKOS: AKOS015850506
Anward: ANW-51746...32 total

ref: mol2, SDF, SMILES, flexibase
1.55,2.33,-11.3,1,3,0, 153.572, 0
1682023
 
#85

ChemMol: 1031112
Molport: MolPort-002-472-885
AK Scientific: X8992
Angene Building Blocks: AGN-PC-0JOGL2
Anward: ANW-50283...36 total

ref: mol2, SDF, SMILES, flexibase
-0.26,-1.48,-6.65,1,3,0, 98.105, 1

Similar to: 34350076,
63772254
 
#86

AK Scientific: Z3890
Angene Building Blocks: AGN-PC-01U97M
Anward: ANW-59918
Ark Pharm Building Blocks: AK-30606
BePharm Building Blocks: B161362...16 total

ref: mol2, SDF, SMILES, flexibase
2.30,5.41,-8.68,0,2,0, 209.046, 0
1555546
 
#87

ChemMol: 44007988, 96700483, 44500389
Molport: MolPort-003-662-227
Acros Organics: 42844
AK Scientific: X9017
AKOS: AKOS004907762...53 total

ref: mol2, SDF, SMILES, flexibase
2.49,0.72,-5.5,0,1,0, 143.189, 0
lo: mol2, SDF, SMILES, flexibase
2.49,0.78,-28.75,1,1,1, 144.197, 0

Similar to: 26052829, 32192705, 32232566, 32253554, 39119708, ... 8 in total.
40448744
 
#88

ChemMol: 44028008
A&J Pharmtech: AJ-02773
Acorn PharmaTech: ACN-C000821
AK Scientific: X9019
Amadis Chemical: A847673...37 total

ref: mol2, SDF, SMILES, flexibase
2.23,5.56,-9.22,0,2,0, 197.035, 0
38339306
 
#89

ChemMol: 30111634, 44022506
AK Scientific: Z3897
Angene Building Blocks: AGN-PC-0NCO7G
Anward: ANW-61366
Apexmol Building Blocks: AM20080929...35 total

ref: mol2, SDF, SMILES, flexibase
2.19,2.43,-4.82,2,2,0, 202.051, 1

Similar to: 39590917,
1442077
 
#90

eMolecules: 727188
Scientific Exchange (make on demand): M-697271
Acros Organics: CC38514
AK Scientific: Y7126
AKOS: AKOS000100669...60 total

ref: mol2, SDF, SMILES, flexibase
1.50,2.87,-3.23,2,2,0, 162.236, 1

Similar to: 32008320, 34959032, 36720267, 36720281, 36720283, ... 17 in total.
12956226
 
#91

ChemMol: 44031526
Scientific Exchange Building Blocks: F-415848
A&J Pharmtech: AJ-02285
Alinda Building Blocks: ALBB-011815
Apexmol Building Blocks: AM20080647...20 total

ref: mol2, SDF, SMILES, flexibase
0.04,1.56,-14.11,1,3,0, 110.116, 1
mid: mol2, SDF, SMILES, flexibase
0.04,1.97,-33.5,2,3,1, 111.124, 1
12336552
 
#92

ChemMol: 97805795, 96711507, 44035065
AK Scientific: X9179
Alfa-Aesar: H61397
Angene Building Blocks: AGN-PC-0NZ41F
Apexmol Building Blocks: AM20070224...48 total

ref: mol2, SDF, SMILES, flexibase
0.95,3.04,-8.21,1,3,0, 133.154, 0
2525800
 
#93

ChemMol: 1201381, 1032601, 44003512, 30103720, 97805192, 51500930
Molport: MolPort-000-002-371
Acros Organics: NP42975, 42975
Alfa-Aesar: L19852
Angene Building Blocks: AGN-PC-0KKP82...60 total

ref: mol2, SDF, SMILES, flexibase
1.59,2.97,-9.84,0,2,0, 186.008, 1
15022244
 
#94

ChemMol: 97804991, 44020024
AK Scientific: X7031
Angene Building Blocks: AGN-PC-000XPM
Anward: ANW-66636
Apexmol Building Blocks: AM20080127...42 total

ref: mol2, SDF, SMILES, flexibase
0.26,-1.21,-14.15,0,3,0, 97.073, 1
2577850
 
#95

ChemMol: 44033322
AK Scientific: X9341
Anward: ANW-64143
Apexmol Building Blocks: AM20080128
Ark Pharm Building Blocks: AK-25315...29 total

ref: mol2, SDF, SMILES, flexibase
0.26,-1,-7.85,0,3,0, 97.073, 1
2387758
 
#96

AK Scientific: Z8092
Alfa-Aesar: H26023
Angene Building Blocks: AGN-PC-0NJ2IS
Anward: ANW-56182
Apexmol Building Blocks: AM84205...33 total

ref: mol2, SDF, SMILES, flexibase
2.76,1.75,-7.47,0,1,0, 154.596, 1
217193
 
#97

ChemMol: 44008029
eMolecules: 2577363, 43024032
Molport: MolPort-021-780-444, MolPort-002-598-957
Scientific Exchange (make on demand): M-196641
AK Scientific: X9402...66 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.37,-7.4,1,2,0, 161.204, 1
ref: mol2, SDF, SMILES, flexibase
1.80,0.04,-4.06,1,2,0, 161.204, 1

Similar to: 34449257, 39223087, 39223089, 39223091, ... 6 in total.
217191
 
#98

ChemMol: 51503697, 44008029
eMolecules: 2577363, 43024032
Molport: MolPort-021-780-444, MolPort-020-172-874, MolPort-002-598-957
Scientific Exchange (make on demand): M-196641
AK Scientific: X9402...70 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.37,-7.38,1,2,0, 161.204, 1

Similar to: 34449257, 39223087, 39223089, 39223091, ... 6 in total.
2383274
 
#99

ChemMol: 44005496, 30106701
AK Scientific: Y3808
Angene Building Blocks: AGN-PC-0JLN9T
Anward: ANW-75238
APIChem: AC-18698...42 total

ref: mol2, SDF, SMILES, flexibase
3.48,2.12,-7.42,0,1,0, 182.222, 2

Similar to: 36518300, 1256993, 1260149,
2383275
 
#100

ChemMol: 44012046
AK Scientific: 3547AA
Alfa-Aesar: H50453
Angene Building Blocks: AGN-PC-0JLN9U
Anward: ANW-44404...49 total

ref: mol2, SDF, SMILES, flexibase
3.50,2.14,-6.99,0,1,0, 182.222, 2

Similar to: 4204249, 6221011, 1260121, 1257899, ... 4 in total.

Old detail retrieval took 2 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 643 ) limit 0,100

Smiles were