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98177471
 
#1

Molport BB: MolPort-035-868-859
Vesino Industrial Co Ltd: VT20320
ref: mol2, SDF, SMILES, flexibase
9.04,15.86,-2.5,0,0,0, 413.49, 11
90225579
 
#2

eMolecules: 815647
ACB Blocks: MIX-0879
AK Scientific: X0161
AKOS: AKOS000104695
Aldrich CPR: CDS009103|ALDRICH...47 total

55378767
 
#3

Molport: MolPort-001-759-322
APIChem: AC-11329
Ark Pharm Building Blocks: AK121954
BioSynth: W-107619
Bosche Scientific: A0952...22 total

3944833
 
#4

ChemMol: 44024229
AK Scientific: W5016
AKOS: AKOS002390458
Aldrich CPR: CVT00065|ALDRICH
Anward: ANW-47268...32 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.13,-8.25,1,4,0, 191.186, 1
ref: mol2, SDF, SMILES, flexibase
0.81,0.94,-44.84,1,4,-1, 190.178, 1

Similar to: 3957106, 6667651,
18084478
 
#5

ChemMol: 44020649, 44009203, 30111571, 51501944, 97804541
eMolecules: 31707121
Molport: MolPort-004-759-301, MolPort-019-877-934, MolPort-003-941-660
Acorn PharmaTech: ACN-000552
ACT Chemical BB: ACT08959...103 total

ref: mol2, SDF, SMILES, flexibase
-0.12,-0.09,-17.39,1,3,0, 110.116, 0
ref: mol2, SDF, SMILES, flexibase
-0.12,-0.15,-15.74,1,3,0, 110.116, 0
18213438
 
#6

Amidohydrolase AH-EFI: "4-hydroxy-2,5,6-tri
ChemMol: 96700827, 30100939, 44001396, 30108983, 44010690
eMolecules: 979539
Molport: MolPort-022-879-066
AK Scientific: I153...108 total

ref: mol2, SDF, SMILES, flexibase
-1.50,-2.37,-11.3,7,6,0, 141.134, 0
ref: mol2, SDF, SMILES, flexibase
-1.50,-3.04,-20.86,7,6,0, 141.134, 0
hi: mol2, SDF, SMILES, flexibase
-0.20,1.26,-97.29,9,11,2, 437.508, 5

Similar to: 25492647,
105279
 
#7

eMolecules: 722480
AK Scientific: 9666AC
AKOS: AKOS015852773
Apollo Scientific: PC2954G
Ark Pharm Building Blocks: AK-56219...25 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.19,-11.73,3,5,0, 308.263, 3
mid: mol2, SDF, SMILES, flexibase
1.87,4.88,-37.12,4,5,1, 309.271, 3
hi: mol2, SDF, SMILES, flexibase
2.06,3.18,-33.33,3,5,0, 308.263, 3
hi: mol2, SDF, SMILES, flexibase
2.06,3.16,-36.43,3,5,0, 308.263, 3
hi: mol2, SDF, SMILES, flexibase
1.87,4.05,-12.41,3,5,0, 308.263, 3
lo: mol2, SDF, SMILES, flexibase
1.69,4.34,-39.72,4,5,1, 309.271, 3
14982127
 
#8

Scientific Exchange Building Blocks: POD_41/0642
Bosche Scientific: A9161
Chembo Pharma: KB-167143
Synchem UG and Co KG: dn011
Tetrahedron Building Blocks: TS38429...10 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.74,-12.77,3,5,0, 203.201, 2

Similar to: 34381159, 5387244, 6493890, 6666144, ... 4 in total.
96328974
 
#9

AK Scientific: R151
Ark Pharm Building Blocks: AK-24021
BOC Sciences BB: 28840-64-4
Chembo Pharma: KB-98106, KB-19905
Lab Seeker Building Blocks: SC-46572...10 total

1689964
 
#10

Aldrich CPR: L307572|ALDRICH
Ark Pharm Building Blocks: AK126228
Chembo Pharma: KB-248483
Combi-Blocks: ST-4294
Florida Heterocyclic Compounds: 88...18 total

ref: mol2, SDF, SMILES, flexibase
0.92,-5.98,-4.84,2,7,0, 191.53, 1
mid: mol2, SDF, SMILES, flexibase
0.47,-3.03,-29.49,1,7,-1, 190.522, 1
87611297
 
#11

AK Scientific: Y5082
Alfa-Aesar: H66400
Angene Building Blocks: AGN-PC-0QWSNS
Apexmol Building Blocks: AM62695
Ark Pharm Building Blocks: AK-34063...22 total

hi: mol2, SDF, SMILES, flexibase
2.85,5.47,-11.01,2,6,0, 377.444, 7
95626697
 
#12

eMolecules: 4850370
Acros Organics: BTB09128
AK Scientific: Y9338
Ark Pharm Building Blocks: AK135299
Chembo Pharma: KB-73190...24 total

12505076
 
#13

Molport: MolPort-002-471-412
AKOS: AKOS000122300
Enamine Building Blocks: EN300-25470, EN300-01277
Molport BB: MolPort-000-165-827, MolPort-002-471-412
Ryan Scientific BB: 047-81063...25 total

ref: mol2, SDF, SMILES, flexibase
1.85,4.98,-44.22,0,3,-1, 216.138, 3
ref: mol2, SDF, SMILES, flexibase
1.40,4.92,-45.32,0,3,-1, 216.138, 3
mid: mol2, SDF, SMILES, flexibase
0.66,4.93,-11.76,0,3,0, 217.146, 4

Similar to: 38255550, 5728931,
98177470
 
#14

Element Store BB: b2star-7275-43-6
Vesino Industrial Co Ltd: VP13961
ref: mol2, SDF, SMILES, flexibase
-1.66,4.83,-37.12,1,4,1, 189.194, 0
hi: mol2, SDF, SMILES, flexibase
-1.66,5.92,-19.45,0,4,0, 188.186, 0
18161829
 
#15

ChemMol: 44021876
eMolecules: 842363, 5552431
AK Scientific: Y6224
AKOS: AKOS000117848, AKOS002669479
Alinda: IVK/0048817...84 total

ref: mol2, SDF, SMILES, flexibase
1.15,2.75,-8.78,3,4,0, 162.196, 0
ref: mol2, SDF, SMILES, flexibase
1.15,2.75,-14.44,3,4,0, 162.196, 0

Similar to: 34619316, 39123305,
13657226
 
#16

eMolecules: 722967
Apollo Scientific: PC2075I
BOC Sciences BB: 175277-46-0
Bosche Scientific: C10673
Chembo Pharma: KB-83161...22 total

ref: mol2, SDF, SMILES, flexibase
2.46,3.28,-7.63,2,2,0, 240.637, 2
4269154
 
#17

Acros Organics: MO01289
Aldrich CPR: BOG00017|ALDRICH
Alfa-Aesar: H51808
Chembo Pharma: KB-183686
Element Store BB: b2star-690632-33-8...23 total

ref: mol2, SDF, SMILES, flexibase
-0.13,-0.58,-8.86,3,4,0, 151.169, 1
ref: mol2, SDF, SMILES, flexibase
0.75,2.53,-21.58,3,4,0, 151.169, 1
mid: mol2, SDF, SMILES, flexibase
0.75,2.46,-31.08,4,4,1, 152.177, 1
mid: mol2, SDF, SMILES, flexibase
0.75,2.19,-44.17,4,4,1, 152.177, 1
lo: mol2, SDF, SMILES, flexibase
-0.13,0.13,-30.52,4,4,1, 152.177, 1
lo: mol2, SDF, SMILES, flexibase
-0.13,1.04,-34.39,4,4,1, 152.177, 1

Similar to: 39049963,
13122595
 
#18

ChemMol: 83603334
eMolecules: 725524
AK Scientific: 8120AD
Apollo Scientific: PC5849
BOC Sciences BB: 240800-53-7...30 total

ref: mol2, SDF, SMILES, flexibase
4.01,6.35,-26.13,1,4,0, 317.288, 5
mid: mol2, SDF, SMILES, flexibase
4.01,5.32,-58.29,0,4,-1, 316.28, 5
89224378
 
#19

eMolecules: 490386
AK Scientific: Y5016
Alfa-Aesar: L07074
Ark Pharm Building Blocks: AK-33411
BioSynth: J-200058...20 total

hi: mol2, SDF, SMILES, flexibase
8.57,20.12,-7.17,0,3,0, 489.622, 5
89223556
 
#20

AK Scientific: X9763
Angene Building Blocks: AGN-PC-0PJ6ST
Ark Pharm Building Blocks: AK-47612
BOC Sciences BB: 130284-56-9
Boerchem Pharmatech BB: BC228750...20 total

hi: mol2, SDF, SMILES, flexibase
3.48,6.73,-5.93,0,2,0, 216.671, 0
17529946
 
#21

eMolecules: 481153
Scientific Exchange (make on demand): Z-008984
Aldrich CPR: S240737|ALDRICH
Anward: ANW-34607
Element Store BB: b2star-632-93-9...31 total

ref: mol2, SDF, SMILES, flexibase
3.06,7.73,-9.86,1,5,0, 267.325, 6

Similar to: 31769097, 31769098, 31771835, 32157759, 32267129, ... 16 in total.
97679692
 
#22

Ark Pharm Building Blocks: AK-68869
Bide Pharmatech BB: BD218849
Fluorochem: 236943
Vesino Industrial Co Ltd: VP12897
ref: mol2, SDF, SMILES, flexibase
0.80,3.07,-9.96,1,5,0, 177.163, 2
35287642
 
#23

Molport: MolPort-020-172-317
Acorn PharmaTech: ACN-S001410
Angene Building Blocks: AGN-PC-0ABUG5
Ark Pharm Building Blocks: AK-30804
BePharm Building Blocks: B242044...19 total

ref: mol2, SDF, SMILES, flexibase
0.46,4.15,-8.09,0,5,0, 207.185, 3
mid: mol2, SDF, SMILES, flexibase
1.32,3.39,-46.61,0,5,-1, 206.177, 3
mid: mol2, SDF, SMILES, flexibase
0.46,4.15,-8.09,0,5,0, 207.185, 3
96838587
 
#24

Acros Organics: 14810
Alfa-Aesar: A14887
Apexmol Building Blocks: AM20061674
Ark Pharm Building Blocks: AK-28551
BioSynth: W-205719...27 total

44667957
 
#25

ChemMol: 42301088
AK Scientific: 6832AC
Alinda Building Blocks: ALBB-016500
Anward: ANW-70839
Ark Pharm Building Blocks: AK104948...21 total

ref: mol2, SDF, SMILES, flexibase
0.21,3.12,-51.81,1,5,-1, 162.128, 1
ref: mol2, SDF, SMILES, flexibase
0.21,3.16,-48.18,1,5,-1, 162.128, 1
hi: mol2, SDF, SMILES, flexibase
0.21,2.68,-122.6,0,5,-2, 161.12, 1
hi: mol2, SDF, SMILES, flexibase
0.21,2.7,-122.74,0,5,-2, 161.12, 1
72193750
 
#26

AK Scientific: 2430AD
Apexmol Building Blocks: AM20050717
Ark Pharm Building Blocks: AK165410
Matrix Scientific: 068756
Vesino Industrial Co Ltd: VP12925...11 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.56,-5.87,1,5,0, 256.059, 2
mid: mol2, SDF, SMILES, flexibase
1.47,3.61,-8.41,1,5,0, 256.059, 2
40457273
 
#27

ChemMol: 44028912
eMolecules: 30153418
Molport: MolPort-008-154-130
AK Scientific: 7886AD
Alinda Building Blocks: ALBB-012322...29 total

ref: mol2, SDF, SMILES, flexibase
0.36,3.53,-12.69,1,4,0, 146.153, 1
ref: mol2, SDF, SMILES, flexibase
0.36,3.49,-7.46,1,4,0, 146.153, 1
hi: mol2, SDF, SMILES, flexibase
0.36,3.31,-44.96,0,4,-1, 145.145, 1
19201708
 
#28

eMolecules: 887555
Molport: MolPort-001-770-882
AK Scientific: 1238AF
Alfa-Aesar: H50233
Ark Pharm Building Blocks: AK126463...32 total

1596462
 
#29

eMolecules: 17365388, 43445218, 3725187
AK Scientific: W4367, X3552
AKOS: AKOS000112928
Alinda Building Blocks: ALBB-013879
Angene Building Blocks: AGN-PC-0QWMYG...62 total

mid: mol2, SDF, SMILES, flexibase
-0.11,0.39,-5.16,3,3,0, 109.132, 1
16123684
 
#30

AKOS: AKOS015836394
BOC Sciences BB: 23275-43-6
Chembo Pharma: KB-118487
Combi-Blocks: SS-6476
Fluorochem: 068352...26 total

ref: mol2, SDF, SMILES, flexibase
-0.95,3.75,-11.52,2,4,0, 146.153, 1
ref: mol2, SDF, SMILES, flexibase
-0.95,4.72,-9.27,2,4,0, 146.153, 1
mid: mol2, SDF, SMILES, flexibase
-0.95,4.64,-38.15,3,4,1, 147.161, 1
mid: mol2, SDF, SMILES, flexibase
-0.95,3.87,-41.59,3,4,1, 147.161, 1
lo: mol2, SDF, SMILES, flexibase
-0.82,3.81,-47,3,4,1, 147.161, 2
lo: mol2, SDF, SMILES, flexibase
-0.95,5.1,-103.18,4,4,2, 148.169, 1
lo: mol2, SDF, SMILES, flexibase
-0.95,4.21,-44.31,3,4,1, 147.161, 1
lo: mol2, SDF, SMILES, flexibase
-0.95,4.33,-99.51,4,4,2, 148.169, 1
98177469
 
#31

Vesino Industrial Co Ltd: VP11577
ref: mol2, SDF, SMILES, flexibase
0.88,2.02,-17.13,1,5,0, 262.309, 2
hi: mol2, SDF, SMILES, flexibase
0.88,2.71,-30.94,0,5,-1, 261.301, 2
hi: mol2, SDF, SMILES, flexibase
0.88,2.71,-31.02,0,5,-1, 261.301, 2
14982964
 
#32

AK Scientific: W3318
Anward: ANW-50839
Ark Pharm Building Blocks: AK-23835
BePharm Building Blocks: B40748
BioSynth: W-201356...28 total

ref: mol2, SDF, SMILES, flexibase
0.95,2.3,-30.64,0,5,-1, 139.09, 1
mid: mol2, SDF, SMILES, flexibase
0.95,1.57,-10.71,1,5,0, 140.098, 1
lo: mol2, SDF, SMILES, flexibase
0.95,1.8,-37.83,2,5,1, 141.106, 1
lo: mol2, SDF, SMILES, flexibase
0.95,2.64,-15.64,1,5,0, 140.098, 1
22995907
 
#33

AK Scientific: 5920AD
Ark Pharm Building Blocks: AK-70734
Chembo Pharma: KB-260649
Key Organics Building Blocks: KC-0732
KeyOrganics: KC-0732...12 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.5,-50.2,2,6,1, 287.38, 7
mid: mol2, SDF, SMILES, flexibase
1.79,5.21,-10.38,1,6,0, 286.372, 7

Similar to: 36878851, 36878959, 41758486, 41758489, 41758498, ... 7 in total.
16857698
 
#34

ChemMol: 44031774
eMolecules: 988624, 37113989, 872597
Molport: MolPort-004-758-713, MolPort-000-881-309, MolPort-003-970-035
Acorn PharmaTech: ACN-001148
AK Scientific: W7701...63 total

ref: mol2, SDF, SMILES, flexibase
-0.99,2.79,-62.16,1,5,-1, 139.09, 1
hi: mol2, SDF, SMILES, flexibase
-0.53,0.76,-116.63,0,5,-2, 138.082, 1
86626
 
#35

ChemMol: 44021443, 30100213, 96700293, 44009478, 1033407
eMolecules: 5782423, 481256, 32263407, 5421578
Molport: MolPort-002-915-720, MolPort-000-873-076
Scientific Exchange (make on demand): POD_75/0621, R-063600
AK Scientific: Y3247...159 total

ref: mol2, SDF, SMILES, flexibase
0.66,3.82,-21.88,1,2,0, 140.211, 0
34892266
 
#36

Vesino Industrial Co Ltd: VA12031
BindingDB.org: 50306800
ChEMBL12: CHEMBL600817, CHEMBL603271
ChEMBL19: CHEMBL603271, CHEMBL600817
PubChem: 56848753...13 total

ref: mol2, SDF, SMILES, flexibase
2.06,1.03,-52.57,5,7,1, 387.456, 7

Similar to: 35827395, 35827396, 38217138, 38217139, ... 5 in total.
34636383
 
#37

Vesino Industrial Co Ltd: VA12031
ChEMBL DrugStore: CHEMBL605846
ChEMBL12: CHEMBL603271
ChEMBL19: CHEMBL2105743, CHEMBL603271, CHEMBL605846
KEGG via PubChem: D10145...23 total

ref: mol2, SDF, SMILES, flexibase
2.06,1.06,-53.26,5,7,1, 387.456, 7

Similar to: 34892266, 35827395, 35827396, 35951137, 35951138, ... 7 in total.
34641109
 
#38

AKOS: AKOS015994983
Ark Pharm Building Blocks: AK-77836, AK-77515
Chembo Pharma: KB-67586, KB-81167, KB-69880
Ryan Scientific: 048-04927
Ryan Scientific BB: 093-62237...45 total

ref: mol2, SDF, SMILES, flexibase
2.86,6.61,-52.75,1,5,-1, 368.416, 2
ref: mol2, SDF, SMILES, flexibase
2.86,5.82,-54.48,1,5,-1, 368.416, 2
ref: mol2, SDF, SMILES, flexibase
2.86,5.83,-54.49,1,5,-1, 368.416, 2
ref: mol2, SDF, SMILES, flexibase
2.86,6.61,-52.64,1,5,-1, 368.416, 2
mid: mol2, SDF, SMILES, flexibase
2.67,8.35,-11.85,2,5,0, 369.424, 2
mid: mol2, SDF, SMILES, flexibase
2.67,9.16,-12.82,2,5,0, 369.424, 2
mid: mol2, SDF, SMILES, flexibase
2.67,8.35,-11.88,2,5,0, 369.424, 2
mid: mol2, SDF, SMILES, flexibase
2.67,9.15,-12.79,2,5,0, 369.424, 2

Similar to: 38797110, 29061539, 29061544, 29061549, 29061555, ... 7 in total.
26186622
 
#39

Molport: MolPort-035-395-891
Chembo Pharma: KB-81456
MedChem Express: HY-10534
Selleck Chemicals: S7518
Vesino Industrial Co Ltd: VA12021...24 total

ref: mol2, SDF, SMILES, flexibase
0.20,6.81,-92.5,2,9,0, 401.448, 5
hi: mol2, SDF, SMILES, flexibase
0.20,5.46,-59.03,1,9,-1, 400.44, 5

Similar to: 26251447,
84688828
 
#40

Vesino Industrial Co Ltd: VA12021
ChEMBL19: CHEMBL2093877, CHEMBL2109986
PubChem: 70199096
SureChEMBL: SCHEMBL7824853, SCHEMBL195037
ref: mol2, SDF, SMILES, flexibase
0.20,9.66,-98.05,2,9,0, 401.448, 5
mid: mol2, SDF, SMILES, flexibase
0.20,8.42,-63.4,1,9,-1, 400.44, 5
18710083
 
#41

American Custom Chemicals Corp.: HCH0030312
Chembo Pharma: KB-277044
Vesino Industrial Co Ltd: VA12007
BindingDB.org: 5, 31087
PubChem: 59271042...14 total

ref: mol2, SDF, SMILES, flexibase
2.94,7.69,-74.14,6,7,2, 394.454, 1
mid: mol2, SDF, SMILES, flexibase
2.94,5.32,-25.07,5,7,1, 393.446, 1
mid: mol2, SDF, SMILES, flexibase
2.94,5.32,-24.47,5,7,1, 393.446, 1

Similar to: 34632290, 38211465, 38256906, 38427216, 38428535, ... 10 in total.
30691754
 
#42

AK Scientific: W9900
AKOS: AKOS005146070
Chembo Pharma: KB-75507
Excenen: EX-A358
Toronto Research Chemicals: B329500...22 total

ref: mol2, SDF, SMILES, flexibase
2.66,8.66,-41.9,4,8,1, 452.922, 7

Similar to: 34395679, 38403685, 38405771, 38407360, 38431766, ... 12 in total.
3938676
 
#43

ChemMol: 97900155
Active BioPharma: 255
Chembo Pharma: KB-81164
Excenen: EX-A114
Ryan Scientific: 048-04549...22 total

ref: mol2, SDF, SMILES, flexibase
5.26,4.03,-58.95,0,5,-1, 438.381, 7

Similar to: 13580618, 34337021, 38445893, 38471032, 38795722, ... 5 in total.
95936819
 
#44

Chembo Pharma: KB-65287
Vesino Industrial Co Ltd: VA11989
BindingDB.org: 50019754
ChEMBL DrugStore: CHEMBL3286580
MedChem Express (Depleted): HY-14338...7 total

ref: mol2, SDF, SMILES, flexibase
4.83,10.71,-54.98,3,3,1, 399.383, 9
mid: mol2, SDF, SMILES, flexibase
4.83,9.45,-11.16,2,3,0, 398.375, 9
39616979
 
#45

AK Scientific: U507
Ark Pharm Building Blocks: AK121953
Chembo Pharma: KB-213889
Enamine Building Blocks: EN300-141082
Vesino Industrial Co Ltd: VT20453...9 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.87,-52.7,0,2,-1, 141.171, 1
mid: mol2, SDF, SMILES, flexibase
1.44,1.98,-9.39,1,2,0, 142.179, 1
12416547
 
#46

Aldrich CPR: S928135|ALDRICH
American Custom Chemicals Corp.: CHM0007210
Anward: ANW-38829, ANW-44744
Chembo Pharma: KB-66756
Mcule: MCULE-6221010639...18 total

ref: mol2, SDF, SMILES, flexibase
1.83,1.68,-9.71,0,3,0, 155.178, 2

Similar to: 55258,
405835
 
#47

ChemMol: 44001017, 30110603, 97801017
Acorn PharmaTech: ACN-S004077
Acros Organics: 26447
AK Scientific: W6238
AKOS: AKOS000282577...49 total

ref: mol2, SDF, SMILES, flexibase
0.60,2.98,-132.53,0,4,-2, 170.145, 2

Similar to: 32135602, 39366505,
145801
 
#48

ChemMol: 44002163, 30101708, 1031661, 97800644
eMolecules: 505131
ACB Blocks: MIX-0836
AKOS: AKOS000592865
Aldrich CPR: R257745|ALDRICH...90 total

ref: mol2, SDF, SMILES, flexibase
1.22,4.93,-94.4,0,4,-2, 170.145, 2

Similar to: 33806259,
4759924
 
#49

eMolecules: 1079130
Molport: MolPort-001-826-183
AK Scientific: Q757
Aldrich CPR: S762040|ALDRICH
Alinda Building Blocks: ALBB-028778...39 total

ref: mol2, SDF, SMILES, flexibase
0.91,3.1,-125.91,0,4,-2, 170.145, 2
107891
 
#50

eMolecules: 710275
ACB Blocks: MIX-0117
AK Scientific: 8868AA
AKOS: AKOS001475971
Aldrich CPR: CDS002700|ALDRICH...49 total

ref: mol2, SDF, SMILES, flexibase
2.48,5.64,-49.36,0,2,-1, 183.233, 1

Similar to: 5813246,
82399
 
#51

eMolecules: 725721
Acros Organics: GK01947
Alfa-Aesar: B20780
Chembo Pharma: KB-274588
FineTech: FT-0628599...35 total

ref: mol2, SDF, SMILES, flexibase
3.05,4.07,-41.69,0,3,-1, 314.962, 2
82393
 
#52

ChemMol: 83603572
eMolecules: 720996
AK Scientific: 4216AF
Alfa-Aesar: B20249
Amadis Chemical: A845231...36 total

ref: mol2, SDF, SMILES, flexibase
2.12,3.38,-46.09,0,3,-1, 236.066, 2
101156
 
#53

eMolecules: 724459
AK Scientific: 2245AA
AKOS: AKOS000282793
Aldrich CPR: CDS000933|ALDRICH
Alfa-Aesar: L05855...54 total

ref: mol2, SDF, SMILES, flexibase
2.26,7.16,-47.64,0,2,-1, 191.231, 2

Similar to: 3631899, 32200799, 32220376, 34961541, 38258487, ... 9 in total.
2583121
 
#54

ChemMol: 44011773, 30111866
Scientific Exchange (make on demand): F-368802
A&J Pharmtech: AJ-00228
AK Scientific: Z3632
Aldrich CPR: CDS007834|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
2.23,-0.72,-49.34,1,5,-1, 242.276, 4

Similar to: 34539471, 44239042,
152773
 
#55

eMolecules: 718883
Acros Organics: 36866, BTB04184
AK Scientific: Y7845
AKOS: AKOS015995932
Alfa-Aesar: L11357...33 total

ref: mol2, SDF, SMILES, flexibase
1.53,2.84,-9.03,3,3,0, 192.243, 1
158686
 
#56

ChemMol: 44012452, 30110666, 97801674, 96701067
eMolecules: 720208
Acros Organics: CC10501
AK Scientific: W4110
AKOS: AKOS000117384...83 total

ref: mol2, SDF, SMILES, flexibase
3.33,0.16,-51.11,0,2,-1, 203.242, 2

Similar to: 1346280, 4218286, 12404907, 34226956, 34226957, ... 7 in total.
154896
 
#57

ChemMol: 97800253, 44010292, 30109639
eMolecules: 496179
Molport: MolPort-000-885-084
Acorn PharmaTech: ACN-S003082
AK Scientific: W6357...59 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.17,-11.32,0,4,0, 157.15, 2
161990
 
#58

eMolecules: 724393
AK Scientific: 7544AA
Ark Pharm Building Blocks: AK112469
BePharm Building Blocks: B0421
BOC Sciences BB: 1505-62-0...21 total

ref: mol2, SDF, SMILES, flexibase
3.14,0.07,-51.54,0,2,-1, 191.231, 1

Similar to: 32232099,
160871
 
#59

eMolecules: 721091
Acros Organics: KM00452
AK Scientific: Y7432
Aldrich CPR: CDS015144|ALDRICH
Anward: ANW-63986...35 total

ref: mol2, SDF, SMILES, flexibase
1.88,4.61,-47.74,0,3,-1, 191.615, 2

Similar to: 39241152,
162019
 
#60

ChemMol: 83602551
eMolecules: 721935
Acros Organics: MWP00086
AK Scientific: 5554AD
Aldrich CPR: CDS014523|ALDRICH...49 total

ref: mol2, SDF, SMILES, flexibase
2.91,0.18,-48,0,2,-1, 225.676, 2

Similar to: 39318883, 39385212, 39385213, 39385214, 39385215, ... 6 in total.
4200669
 
#61

ChemMol: 44012957
eMolecules: 725152
Acros Organics: CC33501
AK Scientific: Y9938
Anward: ANW-73723...30 total

ref: mol2, SDF, SMILES, flexibase
3.19,-0.79,-51.23,0,2,-1, 256.1, 1

Similar to: 32264279,
109304
 
#62

eMolecules: 722692
Scientific Exchange (make on demand): POD_18/0472
Acros Organics: SEW03638
AK Scientific: Z2927
AKOS: AKOS000313662...51 total

ref: mol2, SDF, SMILES, flexibase
2.13,-0.68,-48.72,0,2,-1, 173.238, 2

Similar to: 44199537, 44200401,
109556
 
#63

eMolecules: 722698
Acros Organics: SEW03813
AK Scientific: Z2925
Aldrich CPR: CDS017405|ALDRICH
Anward: ANW-59573...34 total

ref: mol2, SDF, SMILES, flexibase
1.00,0.75,-51.53,0,4,-1, 205.236, 2
158557
 
#64

eMolecules: 720006
Acros Organics: CC02201
AK Scientific: Y7204
AKOS: AKOS002664504
Aldrich CPR: CDS014385|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
2.18,6.18,-49.74,0,3,-1, 204.23, 2

Similar to: 34924639,
125061
 
#65

eMolecules: 727238
AK Scientific: Y7151
BioSynth: W-204901
BOC Sciences BB: 116492-99-0
Chembo Pharma: KB-191172...14 total

ref: mol2, SDF, SMILES, flexibase
4.41,3.28,-44.68,0,3,-1, 342.343, 4
160004
 
#66

ChemMol: 1031715, 83603289
eMolecules: 525414
Acros Organics: GK01984
AK Scientific: Z0185
Anward: ANW-56552...50 total

ref: mol2, SDF, SMILES, flexibase
1.79,3.83,-49.22,0,2,-1, 141.171, 1
160870
 
#67

ChemMol: 83602555
eMolecules: 721089
Acros Organics: KM00448
AK Scientific: W8013
Aldrich CPR: CDS015143|ALDRICH...49 total

ref: mol2, SDF, SMILES, flexibase
1.08,3.99,-54.47,0,3,-1, 157.17, 2

Similar to: 39241150, 39241153, 39350303,
4208979
 
#68

ChemMol: 97804904, 44014728
Scientific Exchange Building Blocks: Z-050094
AK Scientific: Y7756
AKOS: AKOS005166841
Angene Building Blocks: AGN-PC-0JLVRI...35 total

ref: mol2, SDF, SMILES, flexibase
1.84,3.55,-48.33,0,2,-1, 206.04, 1
124901
 
#69

eMolecules: 721205
AK Scientific: Y7153
BioSynth: W-204903
BOC Sciences BB: 116493-07-3
Chembo Pharma: KB-81806...21 total

ref: mol2, SDF, SMILES, flexibase
3.59,1.12,-47.61,0,4,-1, 304.372, 4

Similar to: 44224717, 44248826,
159061
 
#70

ChemMol: 97805074, 83603089, 44016704, 30112936, 1031581, 44009842
eMolecules: 720738
Acros Organics: CC28501
AK Scientific: W3630
AKOS: AKOS000308639...85 total

ref: mol2, SDF, SMILES, flexibase
2.15,-0.9,-44.81,0,2,-1, 206.04, 1

Similar to: 34521848, 39278967,
149027
 
#71

eMolecules: 721343
Acros Organics: KM04905
AK Scientific: Y7588
Aldrich CPR: CDS017320|ALDRICH
BioSynth: W-205692...30 total

ref: mol2, SDF, SMILES, flexibase
3.67,-0.13,-49.76,0,2,-1, 269.754, 3
108968
 
#72

ChemMol: 1031597
eMolecules: 722674
Bosche Scientific: N7864
Capot Chemical: 5217
Chembo Pharma: KB-147544...18 total

ref: mol2, SDF, SMILES, flexibase
1.51,4.74,-13.77,0,4,0, 171.177, 2
161931
 
#73

eMolecules: 721841
Acros Organics: MO00552
Aldrich CPR: CDS018138|ALDRICH
Chembo Pharma: KB-188485
FineTech: FT-0617313...20 total

ref: mol2, SDF, SMILES, flexibase
2.55,-3.24,-51.75,0,4,-1, 301.752, 3
154270
 
#74

AKOS: AKOS015851952
Aldrich CPR: CDS015001|ALDRICH
Ark Pharm Building Blocks: AK113041
BePharm Building Blocks: B0744
Chembo Pharma: KB-87355...29 total

ref: mol2, SDF, SMILES, flexibase
3.19,0.39,-50.67,0,3,-1, 233.268, 3

Similar to: 4541893, 34639589, 39344155,
2566513
 
#75

ChemMol: 42305307, 1031701
eMolecules: 851980
Molport: MolPort-000-891-124
AK Scientific: 5554AB
AKOS: AKOS000122762...58 total

ref: mol2, SDF, SMILES, flexibase
2.01,5.54,-49.38,0,2,-1, 155.198, 1

Similar to: 39279112, 44200551,
69806
 
#76

eMolecules: 2852601
Molport: MolPort-002-344-657
Scientific Exchange (make on demand): F-141478
AKOS: AKOS000121708
Aldrich CPR: CDS011696|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
3.43,8.95,-51.78,0,2,-1, 229.28, 1

Similar to: 2385729, 2385730, 26514388, 34464370, ... 4 in total.
20357767
 
#77

AK Scientific: 7114AB
Ark Pharm Building Blocks: AK113911
BePharm Building Blocks: B87412
Chembo Pharma: KB-85808
Combi-Blocks: SS-6819...28 total

ref: mol2, SDF, SMILES, flexibase
1.12,1.06,-48.1,1,3,-1, 143.143, 1
8672874
 
#78

ChemMol: 44011549
AK Scientific: 4786AC
Anward: ANW-63441
Ark Pharm Building Blocks: AK-80422
Aromalake BB: LS20827...23 total

ref: mol2, SDF, SMILES, flexibase
1.46,3.68,-37.6,0,6,-1, 202.167, 3
82778
 
#79

eMolecules: 885286
Aldrich CPR: CDS013881|ALDRICH
Alfa-Aesar: B20296
Ark Pharm Building Blocks: AK-59100
Chembo Pharma: KB-70753...34 total

ref: mol2, SDF, SMILES, flexibase
1.77,4.82,-56.14,0,3,-1, 171.197, 3

Similar to: 31978224, 31978254, 31978725, 31978727, 36463607, ... 5 in total.
160880
 
#80

eMolecules: 721097
Acros Organics: KM00596
AK Scientific: W3548
AKOS: AKOS015898670
Angene Building Blocks: AGN-PC-0KKYUW...40 total

ref: mol2, SDF, SMILES, flexibase
2.02,-0.32,-47.79,0,3,-1, 236.066, 2
20281912
 
#81

ChemMol: 30111057, 44007060, 44019015
Molport: MolPort-000-884-053
AK Scientific: X8511
AKOS: AKOS000281415
Aldrich CPR: CDS013228|ALDRICH...50 total

ref: mol2, SDF, SMILES, flexibase
2.03,3.77,-45.49,0,2,-1, 206.04, 1
82016
 
#82

ChemMol: 44021758, 83601214, 97800846, 1031633
eMolecules: 523535
AK Scientific: Z2724
AKOS: AKOS000282026
Alfa-Aesar: L13560...63 total

ref: mol2, SDF, SMILES, flexibase
2.02,-0.3,-48.02,0,2,-1, 161.589, 1

Similar to: 34333372, 39296111,
66959
 
#83

ChemMol: 2200201, 80100215, 44011873
eMolecules: 523944
Scientific Exchange (make on demand): POD_96/0312
ACB Blocks: MIX-0400
AK Scientific: Z2721...86 total

ref: mol2, SDF, SMILES, flexibase
3.32,-0.43,-51.21,0,2,-1, 211.649, 1

Similar to: 58234922, 58234957, 58234987,
107789
 
#84

ChemMol: 2100294, 42305304
eMolecules: 525138
Acros Organics: SEW01838
AK Scientific: W8140
Alfa-Aesar: A11935...70 total

ref: mol2, SDF, SMILES, flexibase
2.15,-0.88,-46.73,0,2,-1, 206.04, 1

Similar to: 6556558,
1763566
 
#85

ChemMol: 30111959, 44012461
Molport: MolPort-002-345-422
A&J Pharmtech: AJ-00602
ACT Chemical BB: ACT09504
Aldrich CPR: CDS009914|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
2.79,0.52,-53.79,0,3,-1, 231.252, 3
158714
 
#86

ChemMol: 44011590
eMolecules: 720258
Acros Organics: CC12313
AK Scientific: Y9464
Aldrich CPR: CDS018595|ALDRICH...50 total

ref: mol2, SDF, SMILES, flexibase
2.02,-2.58,-47.38,3,1,1, 164.253, 1
9189772
 
#87

AK Scientific: W4054
AKOS: AKOS000352581
Angene Building Blocks: AGN-PC-0N67A2
Anward: ANW-51523
Ark Pharm Building Blocks: AK-24214...29 total

ref: mol2, SDF, SMILES, flexibase
3.42,5.43,-53.13,2,3,-1, 252.702, 2
2170089
 
#88

eMolecules: 925373
AK Scientific: Y7928
BioSynth: W-206156
Chembo Pharma: KB-180601
FineTech: FT-0614952...18 total

ref: mol2, SDF, SMILES, flexibase
1.52,-4.94,-56.59,2,5,-1, 294.399, 4
80264
 
#89

ChemMol: 44012032, 30111646
eMolecules: 720919
AK Scientific: W6605
AKOS: AKOS000131384
Alinda Building Blocks: ALBB-022910...50 total

ref: mol2, SDF, SMILES, flexibase
0.56,3.05,-45.81,1,4,-1, 184.196, 2

Similar to: 36977805, 36977851, 39294845,
95359
 
#90

eMolecules: 721121
Acros Organics: KM01185
AK Scientific: Y7154
BioSynth: W-204904
BOC Sciences BB: 116525-66-7...23 total

ref: mol2, SDF, SMILES, flexibase
4.21,0.95,-44.41,0,3,-1, 308.791, 3

Similar to: 44248639,
158966
 
#91

eMolecules: 720594
AK Scientific: Y9994
Ark Pharm Building Blocks: AK123807
Chembo Pharma: KB-69746
Enamine Building Blocks: EN300-26647...42 total

ref: mol2, SDF, SMILES, flexibase
2.02,0.88,-52.48,0,3,-1, 192.219, 2

Similar to: 42784466,
139848
 
#92

ChemMol: 30111437
Molport: MolPort-002-484-197
AK Scientific: P309
Anward: ANW-63198
APIChem: AC-4926...35 total

ref: mol2, SDF, SMILES, flexibase
1.05,2.47,-106.22,0,6,-2, 228.181, 2

Similar to: 39296135,
2173186
 
#93

Aldrich CPR: S812277|ALDRICH
Alfa-Aesar: L17750
FineTech: FT-0614133
Labotest: LT03383224
Mcule: MCULE-3854427865...22 total

ref: mol2, SDF, SMILES, flexibase
3.42,-0.81,-39.2,0,2,-1, 230.479, 1
154648
 
#94

ChemMol: 1031668, 44022436, 1201503, 44004290
eMolecules: 489417
Molport: MolPort-000-871-503, MolPort-020-014-744
Acros Organics: 20557
AK Scientific: L351...90 total

ref: mol2, SDF, SMILES, flexibase
1.02,1.65,-42.37,3,1,1, 114.193, 1
157468
 
#95

ChemMol: 44013237, 44021789, 30100083, 83600134, 44031926, 1031570
eMolecules: 532379, 42932545
Molport: MolPort-005-908-975
Scientific Exchange (make on demand): POD_81/0201
Acros Organics: 13884...200 total

ref: mol2, SDF, SMILES, flexibase
1.41,3.19,-49,0,2,-1, 127.144, 1
157069
 
#96

ChemMol: 1031573, 44001322
eMolecules: 487433
Enolase via KEGG (EFI): C02595_1
Molport: MolPort-000-871-573
Scientific Exchange (make on demand): M-283451...129 total

ref: mol2, SDF, SMILES, flexibase
1.26,4.06,-45.75,0,2,-1, 141.171, 2
55258
 
#97

ChemMol: 44001592, 30112653, 2001089
eMolecules: 18509819
AK Scientific: Z2091
AKOS: AKOS000265916
American Custom Chemicals Corp.: CHM0007210...62 total

ref: mol2, SDF, SMILES, flexibase
1.83,5.76,-6.21,0,3,0, 155.178, 2

Similar to: 12416547,
1024446
 
#98

ChemMol: 30113905, 44021790
eMolecules: 720884
Acros Organics: DFP00046
AK Scientific: W6081
AKOS: AKOS009158364...53 total

ref: mol2, SDF, SMILES, flexibase
1.18,3.93,-42.96,0,5,-1, 172.141, 2
1513509
 
#99

ChemMol: 42305306, 1031629, 44021746
eMolecules: 721361
Acros Organics: KM05335
AK Scientific: Y9358
AKOS: AKOS000280436...42 total

ref: mol2, SDF, SMILES, flexibase
2.29,0.8,-7.23,0,3,0, 163.585, 1
1103311
 
#100

ChemMol: 97800693, 1031617, 44011891
eMolecules: 519448
Molport: MolPort-001-759-320
Acorn PharmaTech: ACN-S003151
Acros Organics: 45115...54 total

ref: mol2, SDF, SMILES, flexibase
2.61,0.07,-4.24,0,3,0, 208.036, 1

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 = 818 ) limit 0,100

Smiles were