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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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159026
 
#1

ChemMol: 1031705, 44008180, 44007397, 96701207, 97805037
eMolecules: 720690
A&J Pharmtech: AJ-02775
Acros Organics: CC24810
AK Scientific: W6498...68 total

ref: mol2, SDF, SMILES, flexibase
3.69,-0.24,-3.07,0,0,0, 213.099, 0
538285
 
#2

ChemMol: 44026290, 30111368
APIChem: AC-5020
Ark Pharm Building Blocks: AK129806
Boerchem Pharmatech BB: BC681350
Chembo Pharma: KB-254448...21 total

ref: mol2, SDF, SMILES, flexibase
3.77,1.83,-7.65,1,6,0, 355.39, 5
3831573
 
#3

ChemMol: 96700050
Acros Organics: 42143
AK Scientific: H255
Alfa-Aesar: A18706
American Custom Chemicals Corp.: HCH0175487...47 total

ref: mol2, SDF, SMILES, flexibase
1.92,1.02,-2.97,1,1,0, 282.757, 1

Similar to: 5178435,
389860
 
#4

ChemMol: 1033822, 98001274, 44004521, 30105291, 1032232, 1201187
eMolecules: 502999
Acros Organics: 32949
AK Scientific: H623
Alfa-Aesar: A15064...62 total

ref: mol2, SDF, SMILES, flexibase
2.62,-0.71,-3.37,1,1,0, 190.999, 0
166819
 
#5

ChemMol: 44023594, 42305388, 30115628
eMolecules: 723067
Acros Organics: SPB07593
ACT Chemical BB: ACT10830
AK Scientific: X2966...54 total

ref: mol2, SDF, SMILES, flexibase
1.93,6.1,-12.42,0,2,0, 224.057, 2
161997
 
#6

ChemMol: 97801435, 44013219
eMolecules: 724740
Acorn PharmaTech: ACN-S003401
Acros Organics: CC29909
ACT Chemical BB: ACT04637...71 total

ref: mol2, SDF, SMILES, flexibase
0.44,-0.25,-3.51,1,2,0, 116.16, 1
17821066
 
#7

ChemMol: 44026802, 30106485
eMolecules: 16525297, 479007
Molport: MolPort-008-323-006, MolPort-001-770-156
Scientific Exchange (make on demand): Z-098448
Acros Organics: 15153...99 total

ref: mol2, SDF, SMILES, flexibase
2.73,4.13,-10.76,1,3,0, 173.171, 1
ref: mol2, SDF, SMILES, flexibase
2.06,4.35,-12.26,1,3,0, 173.171, 0
hi: mol2, SDF, SMILES, flexibase
2.06,5.59,-64.38,0,3,-1, 172.163, 0
hi: mol2, SDF, SMILES, flexibase
2.06,3.8,-54.15,0,3,-1, 172.163, 0

Similar to: 36374285, 8210099,
14982272
 
#8

ChemMol: 51500033, 97801982, 44026803, 1033017
AK Scientific: W3500
Angene Building Blocks: AGN-PC-0KKOTX
Anward: ANW-51210
Apexmol Building Blocks: AM20080743...46 total

ref: mol2, SDF, SMILES, flexibase
1.38,0.53,-4.36,1,2,0, 173.997, 0
lo: mol2, SDF, SMILES, flexibase
1.38,0.81,-35.95,2,2,1, 175.005, 0
12471629
 
#9

ChemMol: 96700430, 1202145, 98001046, 44026804, 30116434
eMolecules: 2797579
Molport: MolPort-001-769-842
Acorn PharmaTech: ACN-S001192, ACN-S003523
AK Scientific: S095...55 total

ref: mol2, SDF, SMILES, flexibase
2.22,2.13,-6.11,1,2,0, 201.019, 1
1747212
 
#10

ChemMol: 1037490, 44004623, 30108774
eMolecules: 511320
AK Scientific: L430
Angene Building Blocks: AGN-PC-0JLQRH
Anward: ANW-58274...50 total

ref: mol2, SDF, SMILES, flexibase
0.78,-0.79,-9.86,2,4,0, 168.148, 2
16123583
 
#11

ChemMol: 44025038
ACT Chemical BB: ACT09303
AK Scientific: W4235
AKOS: AKOS015851297
Aldrich CPR: CDS010420|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
3.99,5.34,-4.02,0,2,0, 233.485, 0
16158244
 
#12

ChemMol: 44014049, 96709501, 1033606, 30106549, 44005405, 1033893, 1032303
AK Scientific: I265
Anward: ANW-49363
Apexmol Building Blocks: AM61849
APIChem: AC-3769...37 total

ref: mol2, SDF, SMILES, flexibase
2.32,2.25,-4.48,1,1,0, 164.538, 0
1599529
 
#13

ChemMol: 44023510
Angene Building Blocks: AGN-PC-0JLYFJ
Anward: ANW-25120
BePharm Building Blocks: B2843
BOC Sciences BB: 23426-63-3...32 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.22,-3.95,0,2,0, 181.029, 2
1699997
 
#14

ChemMol: 44009313
Molport: MolPort-001-790-561
Acros Organics: 11813
AK Scientific: W7269
AKOS: AKOS009157529...47 total

ref: mol2, SDF, SMILES, flexibase
2.10,5.15,-3.8,0,2,0, 195.056, 3

Similar to: 34583604,
1587601
 
#15

ChemMol: 30105280, 44026900, 97806448
Acorn PharmaTech: ACN-S004500
Acros Organics: 10664
AK Scientific: N962
AKOS: AKOS008967293...61 total

ref: mol2, SDF, SMILES, flexibase
5.04,0.8,-5.81,0,0,0, 257.13, 0
1712
 
#16

ChemMol: 98000256, 44033183, 1201242, 30104685
eMolecules: 513564
Molport: MolPort-000-872-072
TCM Database @ Taiwan: 42596
Acros Organics: 12696...256 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.31,-6.78,1,3,0, 152.149, 2
16697187
 
#17

ChemMol: 96711654, 44017186
ACT Chemical BB: ACT10647
Ark Pharm Building Blocks: AK140785
Boerchem Pharmatech BB: BC654389
Bosche Scientific: B18759...11 total

ref: mol2, SDF, SMILES, flexibase
5.50,12.28,-8.55,0,4,0, 367.489, 6

Similar to: 34029375, 44689764, 44689768, 44689770, ... 4 in total.
6665108
 
#18

ChemMol: 44026917, 30114307
APIChem: AC-8878
Boerchem Pharmatech BB: BC680816
Chembo Pharma: KB-276246
EndoTherm: EN20...46 total

ref: mol2, SDF, SMILES, flexibase
5.72,-0.47,-4.1,2,2,0, 412.658, 5

Similar to: 12495144, 26522252, 33820638, 33820702, 33820703, ... 21 in total.
26522252
 
#19

ChemMol: 30114307, 44026917
APIChem: AC-8878
Boerchem Pharmatech BB: BC680816
EndoTherm: EN20
PubChem: 45073667...8 total

ref: mol2, SDF, SMILES, flexibase
5.72,11.16,-6.12,2,2,0, 412.658, 5

Similar to: 33820638, 33820702, 33820703, 33845095, 33845096, ... 21 in total.
162333
 
#20

eMolecules: 206842875
Molport: MolPort-023-220-377, MolPort-001-764-939
Scientific Exchange (make on demand): F-138885
AK Scientific: L920
AKOS: AKOS001483023...79 total

ref: mol2, SDF, SMILES, flexibase
1.48,-0.04,-4.09,2,2,0, 168.236, 0

Similar to: 4141343, 34016950,
12359580
 
#21

AK Scientific: W9297
Alfa-Aesar: H50101
Anward: ANW-46486
Ark Pharm Building Blocks: AK-86120
BePharm Building Blocks: B221126...18 total

ref: mol2, SDF, SMILES, flexibase
3.01,-1.18,-4.39,0,2,0, 263.078, 3
lo: mol2, SDF, SMILES, flexibase
3.01,-0.59,-33.06,1,2,1, 264.086, 3

Similar to: 34550418,
19594594
 
#22

ChemMol: 44026925, 30104666
APIChem: AC-2094
BioSynth: Q-100732
Boerchem Pharmatech BB: BC209186
Bosche Scientific: P3162...87 total

ref: mol2, SDF, SMILES, flexibase
3.64,5.8,-5.3,0,4,0, 293.407, 9

Similar to: 31977511, 31977512, 31977549,
4284428
 
#23

Molport: MolPort-002-501-972
AK Scientific: P895
AKOS: AKOS015842655
Angene Building Blocks: AGN-PC-00HOQZ
Anward: ANW-29148...63 total

ref: mol2, SDF, SMILES, flexibase
3.83,0.97,-4.81,1,2,0, 211.349, 3

Similar to: 4284429, 4284430, 5852269, 5852686, 5852692, ... 30 in total.
4284429
 
#24

Molport: MolPort-002-501-972
AK Scientific: P895
AKOS: AKOS015842655
Angene Building Blocks: AGN-PC-00HOQZ
Anward: ANW-29148...61 total

ref: mol2, SDF, SMILES, flexibase
3.83,0.11,-6.89,1,2,0, 211.349, 3

Similar to: 4284430, 5845862, 5845874, 5845912, 5845927, ... 34 in total.
4284430
 
#25

Molport: MolPort-002-501-972
AK Scientific: P895
AKOS: AKOS015842655
Angene Building Blocks: AGN-PC-00HOQZ
Anward: ANW-29148...60 total

ref: mol2, SDF, SMILES, flexibase
3.83,0.3,-5.34,1,2,0, 211.349, 3

Similar to: 5852269, 5852686, 5852692, 5852714, 5852717, ... 30 in total.
2504554
 
#26

Molport: MolPort-002-501-972
AK Scientific: P895
AKOS: AKOS015842655
Angene Building Blocks: AGN-PC-00HOQZ
Anward: ANW-29148...61 total

ref: mol2, SDF, SMILES, flexibase
3.83,0.18,-6.75,1,2,0, 211.349, 3

Similar to: 4284428, 4284429, 4284430, 5852269, 5852686, ... 30 in total.
2598988
 
#27

ChemMol: 30106787, 1203104, 1032866, 44027011, 51500636, 97803573
AK Scientific: V1130
AKOS: AKOS005064127
Aldrich CPR: CDS004620|ALDRICH
Alfa-Aesar: H27755...56 total

ref: mol2, SDF, SMILES, flexibase
1.83,3.17,-6.21,0,1,0, 131.537, 0
1680848
 
#28

ChemMol: 30106700, 1034642
Molport: MolPort-002-501-985
Scientific Exchange (make on demand): F-441518
AK Scientific: H220
Alfa-Aesar: L01312...72 total

ref: mol2, SDF, SMILES, flexibase
4.13,8.57,-3.12,0,0,0, 168.239, 1
389554
 
#29

ChemMol: 44029076
Acros Organics: 42800
AK Scientific: 6237AC
American Custom Chemicals Corp.: CHM0029880
Anward: ANW-58359...27 total

ref: mol2, SDF, SMILES, flexibase
2.78,2.83,-4.25,0,2,0, 190.242, 4

Similar to: 5179013, 15776086, 31320019, 34437813, 34486094, ... 9 in total.
336792
 
#30

ChemMol: 30108573, 44000181, 51500210
ACT Chemical BB: ACT09658
AK Scientific: V1766
Alfa-Aesar: L19362
Angene Building Blocks: AGN-PC-0JWJQ2...52 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.71,-6.1,0,2,0, 200.035, 1

Similar to: 34321321, 34583870,
8729964
 
#31

ChemMol: 44027022, 97802597, 30109843
AK Scientific: W4682, W9544
AKOS: AKOS005072557
Aldrich CPR: CDS015808|ALDRICH
Angene Building Blocks: AGN-PC-0QZI77...64 total

ref: mol2, SDF, SMILES, flexibase
1.36,4.09,-9.23,1,5,0, 223.276, 2
ref: mol2, SDF, SMILES, flexibase
1.36,4.06,-7.93,1,5,0, 223.276, 2

Similar to: 43464037, 43464470,
8101003
 
#32

ChemMol: 96705463, 30111729, 44027460, 30203829, 44006786
eMolecules: 31260850
Molport: MolPort-002-045-614, MolPort-000-005-059
Acorn PharmaTech: ACN-S002129
Acros Organics: 42763...98 total

ref: mol2, SDF, SMILES, flexibase
0.00,2.7,-11.2,1,4,0, 126.115, 2
lo: mol2, SDF, SMILES, flexibase
0.00,3.17,-39.81,2,4,1, 127.123, 2
1693568
 
#33

eMolecules: 504249
Scientific Exchange (make on demand): T-013367
Acros Organics: 13007
AK Scientific: U738
AKOS: AKOS003617771...227 total

ref: mol2, SDF, SMILES, flexibase
5.99,11.83,-9.62,0,0,0, 252.316, 0

Similar to: 1530818,
519823
 
#34

ChemMol: 30107874
eMolecules: 35780464, 1987568
Molport: MolPort-006-069-296
TCM Database @ Taiwan: 28206, tcm03_005109
AK Scientific: W1153...54 total

ref: mol2, SDF, SMILES, flexibase
-1.26,7.59,-46.57,2,5,1, 342.415, 2

Similar to: 519824, 898399, 898438, 898659, 1704333, ... 15 in total.
16697984
 
#35

ChemMol: 44007723
ACT Chemical BB: ACT09193
AK Scientific: X8626, W4138
Amadis Chemical: A848712
Anward: ANW-47392...47 total

ref: mol2, SDF, SMILES, flexibase
-0.82,-2.47,-7.98,2,3,0, 115.132, 0

Similar to: 16697986,
2382126
 
#36

ChemMol: 44001181, 1030138, 1200878, 98002134, 30109997
AK Scientific: I684
Alfa-Aesar: B23937
Angene Building Blocks: AGN-PC-0D4UR8
Anward: ANW-34860...56 total

ref: mol2, SDF, SMILES, flexibase
2.78,0.84,-3.92,1,1,0, 210.582, 2
21992384
 
#37

ChemMol: 44027336
Ark Pharm Building Blocks: AK140025
Boerchem Pharmatech BB: BC215791
Toronto Research Chemicals: M303932, D449515
AKOS BB (make-on-demand): AKOS015963234...11 total

ref: mol2, SDF, SMILES, flexibase
3.37,9.74,-10.94,0,2,0, 298.426, 0

Similar to: 34645199, 39347794, 39347795, 39347796, 39347797, ... 12 in total.
16696764
 
#38

ChemMol: 30114160, 44013440, 97300202
Acorn PharmaTech: ACN-S001826
AK Scientific: W3478
Angene Building Blocks: AGN-PC-0001R7
Anward: ANW-49610...41 total

ref: mol2, SDF, SMILES, flexibase
1.76,3.71,-5.69,0,3,0, 191.017, 2

Similar to: 39342159,
6095883
 
#39

ChemMol: 44013168, 30111835
AK Scientific: 7107AB
Anward: ANW-63641
Apexmol Building Blocks: AM20040593
APIChem: AC-6710...30 total

ref: mol2, SDF, SMILES, flexibase
2.52,-0.08,-10.88,1,3,0, 237.258, 2

Similar to: 39334347, 39334348, 39641404, 39641406, 39641408, ... 7 in total.
1845477
 
#40

ChemMol: 1202143, 98001109, 30104695
eMolecules: 487389
Molport: MolPort-000-871-190
Acros Organics: 42652
AK Scientific: O223...68 total

ref: mol2, SDF, SMILES, flexibase
3.43,2.76,-6.02,0,1,0, 162.232, 2
1648185
 
#41

eMolecules: 479927
Acros Organics: 15514
AK Scientific: H383
AKOS: AKOS002710243
Alfa-Aesar: A12078...56 total

ref: mol2, SDF, SMILES, flexibase
1.54,5.87,-9.94,0,4,0, 174.196, 6

Similar to: 1712644, 5854816, 32152149, 34590262, 34622278, ... 8 in total.
12341575
 
#42

ChemMol: 30111500, 2101943
eMolecules: 1939967
Molport: MolPort-001-021-031
Scientific Exchange (make on demand): Z-064378
AK Scientific: L832...58 total

ref: mol2, SDF, SMILES, flexibase
0.60,-1.69,-6.5,1,3,0, 163.176, 0

Similar to: 12407818, 16991360, 34224118, 34224120, ... 7 in total.
1680788
 
#43

AK Scientific: L300
Alfa-Aesar: L03679
Angene Building Blocks: AGN-PC-0OQ4JL
Anward: ANW-14384
Ark Pharm Building Blocks: AK158897...63 total

ref: mol2, SDF, SMILES, flexibase
2.29,-0.48,-3.4,1,1,0, 150.221, 2

Similar to: 32005640, 32005643, 34450841,
896546
 
#44

Amidohydrolase AH-EFI: 5-fluorocytosine
ChemMol: 44002088, 30101612, 1201843, 96701188
eMolecules: 511893, 914155
Molport: MolPort-001-774-493
Scientific Exchange (make on demand): POD_29/0637...177 total

ref: mol2, SDF, SMILES, flexibase
-0.43,-1.86,-13.91,3,4,0, 129.094, 0

Similar to: 6091046,
1718582
 
#45

Ark Pharm Building Blocks: AK-40985
Bide Pharmatech BB: BD105501
Boerchem Pharmatech BB: BC202578
NCI Plated 2007: 11793
Tetrahedron Building Blocks: TS36470...18 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.49,-8.82,0,3,0, 130.143, 5
31176476
 
#46

ChemMol: 44012270, 30110076, 1031388
AK Scientific: Z1623
Anward: ANW-72243
Apexmol Building Blocks: AM61722
APIChem: AC-4057...25 total

ref: mol2, SDF, SMILES, flexibase
3.07,5.93,-4,0,1,0, 190.004, 0
14628889
 
#47

ChemMol: 44008820, 98002568, 1200704
Alfa-Aesar: H31644
Anward: ANW-47255
Apollo Scientific: PC9192
Ark Pharm Building Blocks: AK-34673...30 total

ref: mol2, SDF, SMILES, flexibase
2.54,4.15,-6.4,0,2,0, 188.585, 2
158096
 
#48

ChemMol: 44027284
AK Scientific: Z4624
AKOS: AKOS001105957
Alfa-Aesar: L16751
Angene Building Blocks: AGN-PC-0KK8AL...37 total

ref: mol2, SDF, SMILES, flexibase
0.32,3.5,-9.58,0,4,0, 150.105, 4
1690437
 
#49

eMolecules: 488120
Molport: MolPort-001-791-489
Acros Organics: 15433
Alfa-Aesar: A17976
Anward: ANW-16316...223 total

ref: mol2, SDF, SMILES, flexibase
1.01,0.61,-4.56,1,2,0, 118.176, 5
1666736
 
#50

eMolecules: 474440
Molport: MolPort-001-779-655
Acorn PharmaTech: ACN-S002410
Acros Organics: 40717
Alfa-Aesar: A11476...56 total

ref: mol2, SDF, SMILES, flexibase
1.72,7.14,-7.78,0,4,0, 202.25, 9

Similar to: 12153496, 33790215, 39017633,
3875744
 
#51

ChemMol: 44007773
AK Scientific: I805
AKOS: AKOS015836351
American Custom Chemicals Corp.: CHM0068374
Angene Building Blocks: AGN-PC-0OV5NS...74 total

ref: mol2, SDF, SMILES, flexibase
3.43,3.59,-4.47,0,4,0, 228.288, 10

Similar to: 4975830, 12405193, 33840686, 34227450, 35854986, ... 9 in total.
13518237
 
#52

ChemMol: 96705565, 97801745, 44028569, 30115388, 44027805, 44013745, 30115552
Molport: MolPort-001-761-079
AK Scientific: X7282, W8371, V0692
Alfa-Aesar: H66987, H64602
Amadis Chemical: A846604...109 total

ref: mol2, SDF, SMILES, flexibase
-0.13,2.14,-14.14,2,4,0, 134.142, 0
ref: mol2, SDF, SMILES, flexibase
0.16,2.39,-8.79,3,4,0, 134.142, 0
lo: mol2, SDF, SMILES, flexibase
-0.13,2.42,-30.83,3,4,1, 135.15, 0
1574048
 
#53

ChemMol: 44027225, 30202691, 96700029
Molport: MolPort-019-905-095
Anward: ANW-32996
Boerchem Pharmatech BB: BC202623
Bosche Scientific: O10890...41 total

ref: mol2, SDF, SMILES, flexibase
2.62,5.65,-6.17,0,5,0, 246.266, 5

Similar to: 38295292,
2567353
 
#54

ChemMol: 2000198, 30104716, 44027183
AK Scientific: 6757AA
APIChem: AC-2020
Ark Pharm Building Blocks: AK163847, AK-59008
Bide Pharmatech BB: BD5402...30 total

ref: mol2, SDF, SMILES, flexibase
0.31,-0.95,-13.17,4,5,0, 215.278, 4

Similar to: 37052941,
406989
 
#55

ChemMol: 1033811, 30100026, 1201184, 98000249, 1032221, 97800033, 44000028, 96707530
eMolecules: 487643
Acorn PharmaTech: ACN-S003481
Acros Organics: 30661
Alfa-Aesar: A15177...73 total

ref: mol2, SDF, SMILES, flexibase
1.71,1.77,-3.35,1,1,0, 130.093, 0
13614
 
#56

ChemMol: 1036885, 30103090, 98000648, 1203313, 44002379
eMolecules: 477661
Scientific Exchange (make on demand): Q-016112
Acros Organics: 40287, 14628
AKOS: AKOS000119091...125 total

ref: mol2, SDF, SMILES, flexibase
1.82,2.99,-2.81,2,1,0, 172.025, 0

Similar to: 6093077,
3812960
 
#57

ChemMol: 30104650
Aldrich CPR: CDS019936|ALDRICH
Alfa-Aesar: L17315
Angene Building Blocks: AGN-PC-00JWBO
Anward: ANW-26037...70 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.48,-4.06,0,1,0, 184.491, 3
3872952
 
#58

ChemMol: 30104650
Aldrich CPR: CDS019936|ALDRICH
Alfa-Aesar: L17315
Angene Building Blocks: AGN-PC-00JWBO
Anward: ANW-26037...65 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.48,-4.06,0,1,0, 184.491, 3
8294976
 
#59

ChemMol: 97800839, 44007379
eMolecules: 503440
Molport: MolPort-001-791-468
Scientific Exchange (make on demand): F-441492
Acorn PharmaTech: ACN-S003438...64 total

ref: mol2, SDF, SMILES, flexibase
0.71,1.6,-6.18,1,2,0, 137.182, 3
lo: mol2, SDF, SMILES, flexibase
0.71,1.88,-32.63,2,2,1, 138.19, 3
1758832
 
#60

ChemMol: 44027027
eMolecules: 484918
Molport: MolPort-001-766-000
Scientific Exchange (make on demand): F-441704
AK Scientific: H374...96 total

ref: mol2, SDF, SMILES, flexibase
2.39,5.12,-4.6,0,1,0, 109.172, 0

Similar to: 2162323, 16637840, 34559718, 34578920, 39318623, ... 5 in total.
409248
 
#61

ChemMol: 44008008, 1033834, 1032244
Acros Organics: 44072
AK Scientific: R478
Angene Building Blocks: AGN-PC-0JLUYU
Anward: ANW-20620...39 total

ref: mol2, SDF, SMILES, flexibase
2.98,-0.44,-3.29,1,1,0, 156.612, 1

Similar to: 32208815, 34426879, 39233488,
2039874
 
#62

ChemMol: 44012987
eMolecules: 1105909
Scientific Exchange (make on demand): POD_63/0867
AK Scientific: Z7393
AKOS: AKOS000115229...78 total

ref: mol2, SDF, SMILES, flexibase
1.23,2.66,-9.06,1,3,0, 161.16, 0
hi: mol2, SDF, SMILES, flexibase
1.69,0.7,-46.98,0,3,-1, 160.152, 0

Similar to: 39240154,
22007474
 
#63

ChemMol: 30108833, 44000295
AK Scientific: Y4990
Angene Building Blocks: AGN-PC-0W4I9D
APIChem: AC-890
BioSynth: W-204120...19 total

ref: mol2, SDF, SMILES, flexibase
0.49,3.96,-13.36,0,3,0, 148.165, 2

Similar to: 26505874,
8698270
 
#64

ChemMol: 1201713, 83600375, 30104034, 2101551, 44003699
eMolecules: 884867
Acros Organics: 24726
AKOS: AKOS001054750, AKOS005145592
Angene Building Blocks: AGN-PC-0JMVMB...79 total

ref: mol2, SDF, SMILES, flexibase
1.26,2.38,-9.75,1,2,0, 163.098, 1
hi: mol2, SDF, SMILES, flexibase
1.72,1.25,-34.02,0,2,-1, 162.09, 1
22009603
 
#65

ChemMol: 30113570, 44027126
APIChem: AC-8163
Boerchem Pharmatech BB: BC222266
PubChem: 29941940
ref: mol2, SDF, SMILES, flexibase
6.69,12.42,-7.83,2,4,0, 381.303, 9
40442557
 
#66

ChemMol: 44031425
AK Scientific: 9448AA
Anward: ANW-23001
Ark Pharm Building Blocks: AK-87347
Aromalake BB: LS10137...19 total

ref: mol2, SDF, SMILES, flexibase
3.83,8.6,-4.78,0,4,0, 380.032, 6

Similar to: 44200657, 39951901,
1712792
 
#67

ChemMol: 30106489, 1203361
eMolecules: 487055
Molport: MolPort-000-006-298
Acros Organics: 18475
AK Scientific: U162...47 total

ref: mol2, SDF, SMILES, flexibase
0.87,2.07,-12.36,0,4,0, 184.172, 0
51943248
 
#68

ChemMol: 44029081
Molport: MolPort-020-014-331
AK Scientific: W8752
Angene Building Blocks: AGN-PC-03ZHNQ
Anward: ANW-45069...30 total

ref: mol2, SDF, SMILES, flexibase
1.98,2.01,-4.45,0,3,0, 191.017, 0
17176299
 
#69

American Custom Chemicals Corp.: AAA0001997
Apexmol Building Blocks: AM806099
Beijing Acemol Technology: AMBZ0059
Boerchem Pharmatech BB: BC221521
Synblock: AB04772...12 total

ref: mol2, SDF, SMILES, flexibase
2.01,5.64,-8.96,0,3,0, 191.23, 5
ref: mol2, SDF, SMILES, flexibase
2.01,4.95,-8.13,0,3,0, 191.23, 5
mid: mol2, SDF, SMILES, flexibase
2.01,6.49,-39.12,1,3,1, 192.238, 5
mid: mol2, SDF, SMILES, flexibase
2.01,5.98,-36.23,1,3,1, 192.238, 5

Similar to: 34561224, 34561230, 34623847, 34625579, 34959581, ... 7 in total.
2031142
 
#70

ChemMol: 44005290, 30106348, 42305335
Molport: MolPort-000-003-673
A&J Pharmtech: AJ-00867
Acorn PharmaTech: ACN-S002663
Acros Organics: 39256...70 total

ref: mol2, SDF, SMILES, flexibase
2.15,6.36,-3.94,0,0,0, 116.163, 0
2169463
 
#71

ChemMol: 44019117, 97800914
AK Scientific: Z5750
Bachem: C-1540
Boerchem Pharmatech BB: BC654732
Combi-Blocks: ST-7005...21 total

ref: mol2, SDF, SMILES, flexibase
2.16,1.66,-13.95,1,5,0, 235.239, 6

Similar to: 34429108, 34460747, 34624094, 36469171, 36470279, ... 7 in total.
22001667
 
#72

ChemMol: 44006988
Boerchem Pharmatech BB: BC220512
AKOS BB (make-on-demand): AKOS015967310
PubChem: 45358401, 45358402, 29935037
ref: mol2, SDF, SMILES, flexibase
2.68,6.77,-15.38,2,4,0, 413.341, 2

Similar to: 34347778, 34347779, 34347780, 34347781, 34347782, ... 12 in total.
22001673
 
#73

ChemMol: 44006988
Boerchem Pharmatech BB: BC220512
AKOS BB (make-on-demand): AKOS015967310
PubChem: 45358401, 45358402, 29935041
ref: mol2, SDF, SMILES, flexibase
2.68,6.71,-13.72,2,4,0, 413.341, 2

Similar to: 34347778, 34347779, 34347780, 34347781, 34347782, ... 12 in total.
22001678
 
#74

ChemMol: 44006988
Boerchem Pharmatech BB: BC220512
AKOS BB (make-on-demand): AKOS015967310
PubChem: 45358401, 45358402, 29935044
ref: mol2, SDF, SMILES, flexibase
2.68,7.3,-13.1,2,4,0, 413.341, 2

Similar to: 34347778, 34347779, 34347780, 34347781, 34347782, ... 12 in total.
22001683
 
#75

ChemMol: 44006988
Boerchem Pharmatech BB: BC220512
AKOS BB (make-on-demand): AKOS015967310
PubChem: 45358401, 45358402, 29935047
ref: mol2, SDF, SMILES, flexibase
2.68,6.84,-12.36,2,4,0, 413.341, 2

Similar to: 34347778, 34347779, 34347780, 34347781, 34347782, ... 12 in total.
4198795
 
#76

ChemMol: 97805584, 30117300, 44024360, 44024719
Acorn PharmaTech: ACN-S001469
AK Scientific: W5521
Angene Building Blocks: AGN-PC-0LRIMR
Anward: ANW-51721...45 total

ref: mol2, SDF, SMILES, flexibase
1.55,-1.39,-8.88,1,3,0, 153.572, 0
38339228
 
#77

ChemMol: 30111069, 44013072
AK Scientific: W5870
Angene Building Blocks: AGN-PC-07YK7I
Anward: ANW-46556
APIChem: AC-5446...18 total

ref: mol2, SDF, SMILES, flexibase
2.14,4.13,-5.75,2,2,0, 203.163, 2

Similar to: 39643323,
20156190
 
#78

ChemMol: 44015193, 44009608
Ark Pharm Building Blocks: AK156293
Boerchem Pharmatech BB: BC675515
Chembo Pharma: KB-70083
AKOS BB (make-on-demand): AKOS000299663...9 total

ref: mol2, SDF, SMILES, flexibase
3.38,6.03,-7.44,0,1,0, 277.943, 1

Similar to: 2583728,
1633229
 
#79

TCM Database @ Taiwan: 33042, tcm03_002231, 29943
AK Scientific: M259
BioSynth: Q-100252
BOC Sciences BB: 2050-87-5
Boerchem Pharmatech BB: BC216501...35 total

ref: mol2, SDF, SMILES, flexibase
3.13,9.09,-2.27,0,0,0, 178.347, 6
1690022
 
#80

ChemMol: 1035560, 44001312, 30100884
eMolecules: 535444
AKOS: AKOS005145661
Alfa-Aesar: A14736
Angene Building Blocks: AGN-PC-0JL8I6...56 total

ref: mol2, SDF, SMILES, flexibase
3.57,6.45,-2.22,0,0,0, 185.064, 0
8294964
 
#81

ChemMol: 97800527, 30106243, 44005228, 44009148, 1201904, 1203082
eMolecules: 484489, 846646
Molport: MolPort-001-770-665
Acros Organics: 17212
AK Scientific: V2306...129 total

ref: mol2, SDF, SMILES, flexibase
1.34,3.93,-4.82,0,1,0, 127.574, 1
21299034
 
#82

ChemMol: 44000891
Angene Building Blocks: AGN-PC-002JUE
Anward: ANW-28096
Apexmol Building Blocks: AM20090681
Ark Pharm Building Blocks: AK112374...23 total

ref: mol2, SDF, SMILES, flexibase
1.48,4.23,-5.69,0,3,0, 152.577, 4
330775
 
#83

ChemMol: 42307173, 2100650, 97803516, 1203164, 1032659, 51500113, 42307174, 44002463, 1032660, 42307069, 30102135
eMolecules: 1838914
Molport: MolPort-000-003-511
Acros Organics: 45370
AK Scientific: N555...90 total

ref: mol2, SDF, SMILES, flexibase
2.61,-1.29,-3.25,0,1,0, 236.894, 0
lo: mol2, SDF, SMILES, flexibase
2.61,-1.18,-31.36,1,1,1, 237.902, 0
2511464
 
#84

ChemMol: 30114558, 1033456, 42306858, 44009199
Molport: MolPort-000-006-165
AK Scientific: W4842
Angene Building Blocks: AGN-PC-00PCC2
Anward: ANW-51004...57 total

ref: mol2, SDF, SMILES, flexibase
-0.83,-2.5,-6.77,1,3,0, 110.116, 1
6500184
 
#85

ChemMol: 30104216, 44003816
Acros Organics: 16441
APIChem: AC-14899
Aronis: a01265
BioSynth: Q-101251...273 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.07,-7.05,1,2,0, 288.431, 0
ref: mol2, SDF, SMILES, flexibase
3.99,5.16,-4.08,2,2,0, 288.431, 0

Similar to: 11592545, 11592546, 103270, 490793, 490794, ... 11 in total.
2561344
 
#86

ChemMol: 44010055, 1036618
AK Scientific: W8367
Angene Building Blocks: AGN-PC-0KL6G4
Anward: ANW-36937
Apexmol Building Blocks: AM20041147...36 total

ref: mol2, SDF, SMILES, flexibase
1.14,2.26,-7.43,1,3,0, 163.176, 1
hi: mol2, SDF, SMILES, flexibase
2.10,0.92,-44.19,1,3,-1, 162.168, 1

Similar to: 32006960, 32117168, 34478941, 42077028, ... 4 in total.
49582039
 
#87

Boerchem Pharmatech BB: BC245013
ChemFuture PharmTech: CFP1651
Debye Scientific BB (Depleted): DB-007421
Matrix Scientific (Depleted): 057583
PubChem: 68618779...10 total

ref: mol2, SDF, SMILES, flexibase
-0.22,1.9,-5.2,0,2,0, 98.101, 0
2553892
 
#88

ChemMol: 44011845, 96709459, 83602541, 2000657
ACT Chemical BB: ACT02087
AK Scientific: W3703
AKOS: AKOS015899817
Angene Building Blocks: AGN-PC-03I146...43 total

ref: mol2, SDF, SMILES, flexibase
2.92,6.86,-6.75,2,4,0, 276.38, 3

Similar to: 32105423, 34400623, 34472855, 39025101, 39129161, ... 6 in total.
4290331
 
#89

ChemMol: 44008476, 83603312
AK Scientific: W8570
Alfa-Aesar: H61836
Angene Building Blocks: AGN-PC-0KKOGJ
Anward: ANW-37415...42 total

ref: mol2, SDF, SMILES, flexibase
3.35,0.71,-3.9,1,1,0, 241.006, 1
80446
 
#90

ChemMol: 30117157, 1202432, 44024418, 98001082, 1036851
eMolecules: 509816
Scientific Exchange (make on demand): F-277920
AK Scientific: X2915
AKOS: AKOS000111238...79 total

ref: mol2, SDF, SMILES, flexibase
2.88,-1.19,-2.68,2,1,0, 233.052, 0

Similar to: 3676573, 36452588, 36456921,
16125829
 
#91

ChemMol: 44012262, 98002975, 97802727, 1031351, 30110102, 44004837
Acorn PharmaTech: ACN-S003798
AK Scientific: W6776
Angene Building Blocks: AGN-PC-0KL2C7
Anward: ANW-31697...45 total

ref: mol2, SDF, SMILES, flexibase
0.86,2.79,-7.97,2,2,0, 136.129, 0

Similar to: 34330911, 34348282,
8614494
 
#92

ChemMol: 96700249, 30100679, 44011576
eMolecules: 1972459
Scientific Exchange (make on demand): F-139081, X-035885
Acros Organics: 45446
AK Scientific: P474...91 total

ref: mol2, SDF, SMILES, flexibase
0.73,1.68,-8.7,1,3,0, 146.149, 0
5688656
 
#93

BioSynth: W-104634
Boerchem Pharmatech BB: BC213199
Chembo Pharma: KB-173673
Element Store BB: b2star-6938-68-7
Enamine Building Blocks: EN300-84363...19 total

ref: mol2, SDF, SMILES, flexibase
-0.46,0.22,-14.52,4,3,0, 105.166, 1
lo: mol2, SDF, SMILES, flexibase
-0.46,0.03,-64.91,5,3,1, 106.174, 1
5997456
 
#94

eMolecules: 879024
Molport: MolPort-000-884-657
Scientific Exchange (make on demand): F-235293
AK Scientific: HTS003819, S857
AKOS: AKOS000145887...46 total

ref: mol2, SDF, SMILES, flexibase
0.29,-0.28,-12.79,2,5,0, 221.259, 3

Similar to: 34669532,
22009492
 
#95

ChemMol: 44007317
Molport: MolPort-003-983-397
AK Scientific: 0622AC
Aldrich CPR: CDS010086|ALDRICH
Anward: ANW-63656...25 total

ref: mol2, SDF, SMILES, flexibase
0.42,2.18,-7.93,0,3,0, 94.073, 0
3995968
 
#96

ChemMol: 44019457, 44003682, 30104007
APIChem: AC-3466
Boerchem Pharmatech BB: BC207922
Molport BB: MolPort-003-983-467
AKOS BB (make-on-demand): AKOS015961726...21 total

ref: mol2, SDF, SMILES, flexibase
-2.09,-11.6,-12.85,5,10,0, 265.222, 3

Similar to: 4245682, 5821523, 5821544, 5836121, 5860972, ... 22 in total.
21985248
 
#97

ChemMol: 30104007, 44003682
APIChem: AC-3466
Boerchem Pharmatech BB: BC207922
AKOS BB (make-on-demand): AKOS015961726
ChEMBL DrugStore: CHEMBL1908346...8 total

ref: mol2, SDF, SMILES, flexibase
-2.09,-9.73,-16.99,5,10,0, 265.222, 3

Similar to: 33824399,
4219053
 
#98

ChemMol: 1202992
eMolecules: 2722837
Molport: MolPort-000-876-861, MolPort-008-434-567
AK Scientific: 7224AA
AKOS: AKOS000118180...49 total

ref: mol2, SDF, SMILES, flexibase
1.27,2.21,-8.33,2,3,0, 157.194, 2

Similar to: 31893724, 31893730, 31893741, 36224435, 38234931, ... 5 in total.
1672947
 
#99

ChemMol: 1201274, 98000525, 44009157, 30100104, 97800167
Acros Organics: 17971
ACT Chemical BB: ACT02955
Alfa-Aesar: A15300
Angene Building Blocks: AGN-PC-0BTQSC...72 total

ref: mol2, SDF, SMILES, flexibase
3.93,7.37,-3.15,0,0,0, 207.07, 0
1625284
 
#100

eMolecules: 479393
Molport: MolPort-001-789-160
Acros Organics: 15832, 16405
AK Scientific: L608
AKOS: AKOS004900553...262 total

ref: mol2, SDF, SMILES, flexibase
5.95,0.62,-11.07,0,2,0, 332.406, 2

Similar to: 5159512,

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 = 808 ) limit 0,100

Smiles were