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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

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3131100
 
#1

eMolecules: 25562535
AK Scientific: 1446AC
AKOS: AKOS005433750
Ark Pharm Building Blocks: AK123355
Bosche Scientific: E8490...32 total

ref: mol2, SDF, SMILES, flexibase
-0.31,2.87,-24.84,0,1,1, 188.294, 1

Similar to: 34470456, 34470457, 39020311,
4015346
 
#2

eMolecules: 1967161
Molport: MolPort-002-319-818
Mcule: MCULE-2706973479
Molport BB: MolPort-002-319-818
Vitas-M: STK185991...14 total

ref: mol2, SDF, SMILES, flexibase
3.41,0.17,-6.25,0,1,0, 183.254, 0
lo: mol2, SDF, SMILES, flexibase
3.41,0.26,-27.13,1,1,1, 184.262, 0
9434050
 
#3

eMolecules: 2387597
Molport: MolPort-002-183-492
ChemDiv: 3533-0165
Life Chemicals: F0850-5226
Mcule: MCULE-7458423209...14 total

ref: mol2, SDF, SMILES, flexibase
4.46,-2.34,-14.42,3,6,0, 440.499, 4

Similar to: 662420, 662424,
9434258
 
#4

eMolecules: 2387597
Molport: MolPort-002-183-492
ChemDiv: 3533-0165
Life Chemicals: F0850-5226
Mcule: MCULE-7458423209...14 total

ref: mol2, SDF, SMILES, flexibase
4.46,-2.34,-15.93,3,6,0, 440.499, 4

Similar to: 662420, 662424,
4499423
 
#5

eMolecules: 6894530
Molport: MolPort-002-502-315
AKOS: AKOS002663309
Mcule: MCULE-6763609478
Molport BB: MolPort-002-502-315...15 total

ref: mol2, SDF, SMILES, flexibase
4.45,3.95,-17.05,0,3,0, 349.242, 5

Similar to: 16771306, 16771311, 1312042, 1312043, ... 4 in total.
2568480
 
#6

eMolecules: 6894530
Molport: MolPort-002-502-315
AKOS: AKOS002663309
Mcule: MCULE-6763609478
Molport BB: MolPort-002-502-315...15 total

ref: mol2, SDF, SMILES, flexibase
4.45,3.95,-17.03,0,3,0, 349.242, 5

Similar to: 16764506, 16764509, 16764511, 16771306, 16771311, ... 7 in total.
1262457
 
#7

eMolecules: 8594362
Molport: MolPort-002-927-883
Mcule: MCULE-4902518121
Molport BB: MolPort-002-927-883
Vitas-M: STK003037...13 total

ref: mol2, SDF, SMILES, flexibase
3.79,4.1,-16.56,0,3,0, 314.797, 5

Similar to: 1312042, 1312043, 16755077, 16755080, 16755082, ... 8 in total.
1262456
 
#8

eMolecules: 8594362
Molport: MolPort-002-927-883
Mcule: MCULE-4902518121
Molport BB: MolPort-002-927-883
Vitas-M: STK003037...13 total

ref: mol2, SDF, SMILES, flexibase
3.79,4.1,-16.71,0,3,0, 314.797, 5

Similar to: 1262457, 1312042, 1312043, 16755077, 16755080, ... 8 in total.
563918
 
#9

eMolecules: 497633
Molport: MolPort-002-323-438
AKOS: AKOS005432651
ChemDiv: 0096-0266
Mcule: MCULE-4203898842...20 total

ref: mol2, SDF, SMILES, flexibase
0.42,3.82,-13.96,1,3,0, 157.213, 3

Similar to: 34484445, 35822652, 41680539,
2505845
 
#10

eMolecules: 207361289
Molport: MolPort-002-933-965
Mcule: MCULE-6256852180
Molport BB: MolPort-002-933-965
Vitas-M: STK035134...12 total

ref: mol2, SDF, SMILES, flexibase
5.13,4.02,-10.81,0,4,0, 356.592, 4
5577500
 
#11

eMolecules: 1877227, 28296254
Scientific Exchange (make on demand): F-325338
AKOS: AKOS002350472, AKOS002676049
ChemBridge: 9215749
Innovapharm: STT-00226976...32 total

ref: mol2, SDF, SMILES, flexibase
-0.02,3.18,-10.51,3,6,0, 188.212, 4

Similar to: 5899112, 41992218, 41992220, 41992300, 41992569, ... 5 in total.
2505853
 
#12

eMolecules: 207361291
Molport: MolPort-002-941-531
Mcule: MCULE-6463203975
Molport BB: MolPort-002-941-531
Vitas-M: STK075922...12 total

ref: mol2, SDF, SMILES, flexibase
4.00,0.05,-9.35,2,4,0, 341.581, 3
15109426
 
#13

eMolecules: 17365011
Scientific Exchange (make on demand): F-314091
AKOS: AKOS002280319
Alinda Building Blocks: ALBB-017194
BioBlocks: A4429/0189135...29 total

ref: mol2, SDF, SMILES, flexibase
1.39,5.11,-10.89,3,5,0, 208.265, 1

Similar to: 40175480,
15109432
 
#14

eMolecules: 22031913
Scientific Exchange (make on demand): F-314096
AKOS: AKOS002280320
Alinda Building Blocks: ALBB-017193
BioBlocks: A4429/0189136...29 total

ref: mol2, SDF, SMILES, flexibase
1.39,5.1,-10.78,3,5,0, 208.265, 1

Similar to: 40175480,
15109429
 
#15

eMolecules: 22031913
Scientific Exchange (make on demand): F-314096
AKOS: AKOS002280320
Alinda Building Blocks: ALBB-017193
BioBlocks: A4429/0189136...29 total

ref: mol2, SDF, SMILES, flexibase
1.39,5.1,-10.68,3,5,0, 208.265, 1

Similar to: 40175480,
8731206
 
#16

eMolecules: 13314164
Molport: MolPort-002-040-386
Scientific Exchange (make on demand): F-325193
AKOS: AKOS002681367
Innovapharm Building Blocks: BBS-00014521...21 total

ref: mol2, SDF, SMILES, flexibase
4.02,0.87,-9.96,1,2,0, 283.758, 3

Similar to: 8731205,
8731205
 
#17

eMolecules: 13314164
Molport: MolPort-002-040-386
Scientific Exchange (make on demand): F-325193
AKOS: AKOS002681367
Innovapharm Building Blocks: BBS-00014521...21 total

ref: mol2, SDF, SMILES, flexibase
4.02,0.82,-8.17,1,2,0, 283.758, 3

Similar to: 8731206,
14607445
 
#18

eMolecules: 5417016
Molport: MolPort-000-876-566
AKOS: AKOS001786894
Innovapharm Building Blocks: BBS-00014596
Mcule: MCULE-7528206600...20 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.5,-5.68,0,5,0, 235.287, 4

Similar to: 39957368, 41363804, 41393050,
17176146
 
#19

eMolecules: 44857756
Molport: MolPort-008-346-227
Scientific Exchange (make on demand): Z-076420
AKOS: AKOS005652171
Alinda Building Blocks: ALBB-027201...26 total

ref: mol2, SDF, SMILES, flexibase
0.77,-2.37,-8.33,2,4,0, 153.137, 2
ref: mol2, SDF, SMILES, flexibase
1.59,-2.29,-9.17,3,4,0, 153.137, 1
hi: mol2, SDF, SMILES, flexibase
0.40,0.49,-41.43,2,4,-1, 152.129, 1

Similar to: 6524377,
301703
 
#20

eMolecules: 2167727
Molport: MolPort-002-087-747
AKOS: AKOS001645821
Mcule: MCULE-1293005732
Molport BB: MolPort-002-087-747...19 total

ref: mol2, SDF, SMILES, flexibase
2.26,7.91,-13.71,1,4,0, 317.288, 5
37286916
 
#21

eMolecules: 30319184
Molport: MolPort-008-324-044
Mcule: MCULE-1177293787
Molport BB: MolPort-008-324-044
Princeton BioMolecular Research: OSSL_411660...14 total

ref: mol2, SDF, SMILES, flexibase
1.43,3.65,-10.68,1,4,0, 224.256, 7
363074
 
#22

eMolecules: 555561
Molport: MolPort-001-889-493
AKOS: AKOS005433699
Aldrich CPR: L201782|ALDRICH
Mcule: MCULE-2688702279...17 total

ref: mol2, SDF, SMILES, flexibase
2.68,0.13,-13.77,1,5,0, 266.304, 4
126185
 
#23

eMolecules: 1052758
AK Scientific: V6939
AKOS: AKOS001073641
Aldrich CPR: S385638|ALDRICH
Angene Building Blocks: AGN-PC-0JVGI6...32 total

ref: mol2, SDF, SMILES, flexibase
1.69,6.89,-10.07,0,3,0, 185.23, 1
lo: mol2, SDF, SMILES, flexibase
1.69,7.33,-34.59,1,3,1, 186.238, 1

Similar to: 31934348,
352725
 
#24

eMolecules: 555557
Molport: MolPort-001-920-044
AKOS: AKOS005433698
Aldrich CPR: L201766|ALDRICH
Mcule: MCULE-3495193858...15 total

ref: mol2, SDF, SMILES, flexibase
4.57,0.24,-9.21,1,4,0, 300.365, 4
86846
 
#25

eMolecules: 555553
Molport: MolPort-001-894-667
Scientific Exchange: POD_36/0336
AKOS: AKOS003624212
Aldrich CPR: L201731|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
3.46,-0.7,-9.24,1,4,0, 258.712, 3
4737554
 
#26

eMolecules: 1071453, 1156283
Molport: MolPort-001-913-319, MolPort-001-019-705
Scientific Exchange (make on demand): Z-040072
AKOS: AKOS000546956
Aldrich CPR: S463345|ALDRICH...31 total

ref: mol2, SDF, SMILES, flexibase
2.51,7.79,-10.4,0,2,0, 219.309, 2

Similar to: 39118857, 39118877, 39118996, 39565582, ... 5 in total.
947938
 
#27

eMolecules: 552952
AKOS: AKOS002170359
Aldrich CPR: L187011|ALDRICH
ChemBridge: 6672425
IBScreen: STOCK1S-79860...24 total

ref: mol2, SDF, SMILES, flexibase
5.21,7.89,-8.89,2,3,0, 351.258, 2
mid: mol2, SDF, SMILES, flexibase
5.21,8.29,-34.15,3,3,1, 352.266, 2

Similar to: 12084562, 12084571, 12084576,
347777
 
#28

eMolecules: 621313
Scientific Exchange (make on demand): POD_99/0800
AKOS: AKOS003001310
Aldrich CPR: R339784|ALDRICH
Florida Heterocyclic Compounds: 7445...21 total

ref: mol2, SDF, SMILES, flexibase
3.48,-0.85,-7.9,1,4,0, 258.712, 3
2155929
 
#29

eMolecules: 815030
Molport: MolPort-000-929-090
AKOS: AKOS000249080
Aldrich CPR: S704040|ALDRICH
Alinda Building Blocks: ALBB-017515...33 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.09,-13.69,0,4,0, 217.224, 2
2758554
 
#30

eMolecules: 5125926
Molport: MolPort-001-674-812
Scientific Exchange (make on demand): H-069923
AKOS: AKOS003794075
Mcule: MCULE-2661450107...18 total

ref: mol2, SDF, SMILES, flexibase
-2.26,-2.25,-56.07,2,7,-1, 198.158, 5
7343015
 
#31

eMolecules: 32786116
Molport: MolPort-010-699-927
Mcule: MCULE-9579501261
Molport BB: MolPort-010-699-927
Princeton BioMolecular Research: OSSL_925344...11 total

ref: mol2, SDF, SMILES, flexibase
2.43,3.69,-7.91,1,3,0, 184.264, 2
hi: mol2, SDF, SMILES, flexibase
2.89,1.56,-45.46,0,3,-1, 183.256, 2

Similar to: 7343016, 5037881,
39951559
 
#32

eMolecules: 57924
Molport: MolPort-003-980-520
Scientific Exchange (make on demand): Z-007713
Molport BB: MolPort-003-980-520
Vitas-M: STL135972...11 total

ref: mol2, SDF, SMILES, flexibase
-0.64,-0.17,-34.34,0,5,-1, 155.133, 0

Similar to: 15022438,
40517877
 
#33

eMolecules: 36517943
Molport: MolPort-012-251-005
Mcule: MCULE-9875344093
Molport BB: MolPort-012-251-005
Princeton BioMolecular Research: OSSL_924205...11 total

ref: mol2, SDF, SMILES, flexibase
1.54,4.3,-38.16,2,2,1, 185.316, 3
hi: mol2, SDF, SMILES, flexibase
1.54,3.09,-4.11,1,2,0, 184.308, 3
40517876
 
#34

eMolecules: 36517943
Molport: MolPort-012-251-005
Mcule: MCULE-9875344093
Molport BB: MolPort-012-251-005
Princeton BioMolecular Research: OSSL_924205...11 total

ref: mol2, SDF, SMILES, flexibase
1.54,4.28,-38.35,2,2,1, 185.316, 3
hi: mol2, SDF, SMILES, flexibase
1.54,3.1,-4.85,1,2,0, 184.308, 3
37930796
 
#35

eMolecules: 36378256
Molport: MolPort-011-424-635
AKOS: AKOS005716951
Innovapharm Building Blocks: BBS-00019391
Mcule: MCULE-7504561919...14 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.64,-52.95,3,5,-1, 223.252, 6

Similar to: 44511532, 44511533, 45650798, 45650800, ... 4 in total.
15828635
 
#36

eMolecules: 17423624, 32256741
Molport: MolPort-007-598-363, MolPort-019-712-042
AKOS: AKOS005712566, AKOS001772728
Innovapharm Building Blocks: BBS-00019677
Mcule: MCULE-8557052910...19 total

ref: mol2, SDF, SMILES, flexibase
2.47,7.59,-48.23,1,6,-1, 328.373, 5
12504780
 
#37

eMolecules: 2868321, 36378241
Molport: MolPort-002-469-665, MolPort-018-569-613
AKOS: AKOS003599056, AKOS000118375
Apexmol Building Blocks: AM100907
Chembo Pharma: KB-144154...39 total

ref: mol2, SDF, SMILES, flexibase
1.14,3.51,-47.56,0,2,-1, 135.171, 0
1475691
 
#38

eMolecules: 36468704
Molport: MolPort-011-018-736
AKOS: AKOS003632923
Combi-Blocks: SS-3343
Mcule: MCULE-7993293907...16 total

ref: mol2, SDF, SMILES, flexibase
1.40,-0.64,-18.98,0,7,0, 273.266, 6

Similar to: 43447565,
1475648
 
#39

eMolecules: 36468700
Molport: MolPort-011-018-733
AKOS: AKOS003634269
Combi-Blocks: SS-3340
Mcule: MCULE-2632524739...16 total

ref: mol2, SDF, SMILES, flexibase
1.02,-0.61,-19.18,0,7,0, 259.239, 5
35676545
 
#40

eMolecules: 36517719
Molport: MolPort-015-101-401
Mcule: MCULE-1834736182
Molport BB: MolPort-015-101-401
Princeton BioMolecular Research: OSSL_922841...10 total

ref: mol2, SDF, SMILES, flexibase
0.94,3.74,-17.77,0,6,0, 226.213, 3
34098825
 
#41

eMolecules: 36517715
Molport: MolPort-010-304-869
KeyOrganics: BS-4513
Mcule: MCULE-5193707774
Molport BB: MolPort-010-304-869...14 total

ref: mol2, SDF, SMILES, flexibase
1.78,6.27,-12.37,0,6,0, 242.256, 6
4072653
 
#42

ChemMol: 44024289, 30101244, 97800543, 97603242, 30109227, 44003620, 44013587, 1030334
eMolecules: 206844376, 716556
Acros Organics: 34668
AK Scientific: V2080, W7000, W7862
Aldrich CPR: CDS003274|ALDRICH...192 total

ref: mol2, SDF, SMILES, flexibase
-0.52,-1.36,-46.4,4,2,1, 116.184, 0

Similar to: 34361341, 34560029, 39298339, 39298340, 39298341, ... 7 in total.
4317871
 
#43

eMolecules: 2616205
Molport: MolPort-003-177-567
AK Scientific: HTS003953
AKOS: AKOS001844361
KeyOrganics: BS-6264...14 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.3,-39.05,0,4,-1, 348.35, 2
mid: mol2, SDF, SMILES, flexibase
3.03,-1.33,-14.67,1,4,0, 349.358, 2
15828844
 
#44

eMolecules: 17423646, 32256743
Molport: MolPort-007-598-527, MolPort-019-712-043
AKOS: AKOS005712567, AKOS001774397
Innovapharm Building Blocks: BBS-00019678
Mcule: MCULE-9514062473...18 total

ref: mol2, SDF, SMILES, flexibase
1.48,6.52,-126.53,1,6,-2, 299.311, 3
13821173
 
#45

eMolecules: 36517663
Molport: MolPort-019-910-790
AKOS: AKOS005745070
Mcule: MCULE-3348499963
Molport BB: MolPort-019-910-790...18 total

ref: mol2, SDF, SMILES, flexibase
0.82,3.96,-40.12,1,4,-1, 206.152, 1
21303959
 
#46

eMolecules: 36517651
Molport: MolPort-008-155-844
AK Scientific: HTS004819
AKOS: AKOS005745105
Apexmol Building Blocks: AM20080875...15 total

ref: mol2, SDF, SMILES, flexibase
1.28,4.4,-12.37,1,5,0, 208.217, 3
hi: mol2, SDF, SMILES, flexibase
1.28,3.37,-36,0,5,-1, 207.209, 3
lo: mol2, SDF, SMILES, flexibase
1.28,3.18,-35.02,2,5,1, 209.225, 3

Similar to: 34227332, 38591573,
1640493
 
#47

eMolecules: 36517617
Molport: MolPort-019-910-654
AK Scientific: HTS001086
Innovapharm Building Blocks: BBS-00018937
Key Organics Building Blocks: BS-3539...17 total

ref: mol2, SDF, SMILES, flexibase
0.93,-4.71,-53,3,4,1, 232.307, 0

Similar to: 38279150,
5043059
 
#48

eMolecules: 15961021
Molport: MolPort-003-356-626
AK Scientific: HTS000901
Innovapharm Building Blocks: BBS-00018926
Key Organics Building Blocks: BS-3072...20 total

ref: mol2, SDF, SMILES, flexibase
1.14,2.22,-50.58,3,4,1, 244.318, 1

Similar to: 5043057,
5043057
 
#49

eMolecules: 5635137
Molport: MolPort-003-177-420
AK Scientific: HTS001082
AKOS: AKOS001765710
Innovapharm Building Blocks: BBS-00018925...24 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.54,-50.61,3,4,1, 230.291, 1

Similar to: 5043059,
20131934
 
#50

eMolecules: 32785498
Molport: MolPort-010-699-906
Life Chemicals: F3411-0184
Mcule: MCULE-7459406298
Molport BB: MolPort-010-699-906...12 total

ref: mol2, SDF, SMILES, flexibase
1.89,2.66,-53.53,3,4,1, 276.385, 2
hi: mol2, SDF, SMILES, flexibase
1.89,1.33,-6.54,2,4,0, 275.377, 2
20131898
 
#51

eMolecules: 15961023
Molport: MolPort-007-596-555
AKOS: AKOS001765711
Life Chemicals: F3411-0254
Mcule: MCULE-7845078747...14 total

ref: mol2, SDF, SMILES, flexibase
2.28,4.04,-59.63,3,3,1, 260.386, 1
33268111
 
#52

eMolecules: 32786448
Molport: MolPort-010-754-719
ChemDiv BuildingBlocks: BB10-0052
Innovapharm Building Blocks: BBS-00019760
Mcule: MCULE-6411991665...12 total

ref: mol2, SDF, SMILES, flexibase
1.16,0.57,-44.84,3,6,-1, 242.28, 5
33268112
 
#53

eMolecules: 32786450
Molport: MolPort-010-754-720
ChemDiv BuildingBlocks: BB10-0050
Innovapharm Building Blocks: BBS-00019758
Mcule: MCULE-9997973811...12 total

ref: mol2, SDF, SMILES, flexibase
0.84,0.56,-44.73,3,6,-1, 242.28, 4
33268110
 
#54

eMolecules: 32786446
Molport: MolPort-010-754-718
ChemDiv BuildingBlocks: BB10-0048
Innovapharm Building Blocks: BBS-00019756
Mcule: MCULE-8521150231...12 total

ref: mol2, SDF, SMILES, flexibase
0.60,-0.21,-44.97,3,6,-1, 228.253, 4
4316231
 
#55

eMolecules: 5511177
Molport: MolPort-003-072-482
AKOS: AKOS001762599
Life Chemicals: F1609-0560
Mcule: MCULE-4631664957...15 total

ref: mol2, SDF, SMILES, flexibase
1.18,-0.91,-52.71,0,6,-1, 274.281, 3
1892842
 
#56

eMolecules: 1880088
AKOS: AKOS002253349
Alinda Building Blocks: ALBB-017486
Fluorochem: 371789
Innovapharm: STT-00229941...30 total

ref: mol2, SDF, SMILES, flexibase
2.67,2.63,-10.54,0,5,0, 273.288, 6

Similar to: 34549336, 34549337,
21729991
 
#57

eMolecules: 27041277
Molport: MolPort-007-598-403
AKOS: AKOS001773390
Mcule: MCULE-3252723179
Molport BB: MolPort-007-598-403...11 total

ref: mol2, SDF, SMILES, flexibase
0.79,3,-44.4,1,5,-1, 222.249, 2
19737432
 
#58

eMolecules: 18186929
AK Scientific: 0015AD
AKOS: AKOS005632604
Matrix Scientific: 031185
Mcule: MCULE-5710486308...16 total

ref: mol2, SDF, SMILES, flexibase
1.88,6.07,-12.17,0,4,0, 222.24, 7

Similar to: 26480402, 31975793, 31975894, 31975984, 34577085, ... 5 in total.
8731097
 
#59

eMolecules: 13314078, 36517571
Molport: MolPort-002-040-324, MolPort-019-910-828
Mcule: MCULE-8025751183
Molport BB: MolPort-019-910-828, MolPort-002-040-324
Vitas-M: STL196548...18 total

ref: mol2, SDF, SMILES, flexibase
3.76,-1.66,-43.63,0,2,-1, 235.719, 1

Similar to: 8731091,
16958215
 
#60

eMolecules: 36517563
Molport: MolPort-019-910-824, MolPort-016-729-544
AKOS: AKOS005139418
Innovapharm: STT-00362767
Innovapharm Building Blocks: BBS-00014246...22 total

ref: mol2, SDF, SMILES, flexibase
1.33,7.35,-11.28,2,4,0, 293.398, 1

Similar to: 5933467, 5939432, 5939433, 3632900, ... 4 in total.
16088718
 
#61

eMolecules: 36517519
Mcule: MCULE-5668963694
Molport BB: MolPort-006-924-410
Vitas-M: STL134927
Vitas-M BB: BBL006869...8 total

ref: mol2, SDF, SMILES, flexibase
1.79,4.99,-18.65,1,9,0, 357.388, 6

Similar to: 38233300, 43273188,
4316034
 
#62

eMolecules: 29273811
Molport: MolPort-003-071-948
Life Chemicals: F1609-0002
Mcule: MCULE-2295187312
Princeton BioMolecular Research: OSSL_924175...10 total

ref: mol2, SDF, SMILES, flexibase
3.35,-1.64,-46.2,0,6,-1, 363.754, 3
5393323
 
#63

eMolecules: 36517495
Molport: MolPort-014-341-095
AKOS: AKOS003855330
Mcule: MCULE-4458390742
Molport BB: MolPort-014-341-095...14 total

ref: mol2, SDF, SMILES, flexibase
1.43,6.25,-28.96,2,4,0, 232.307, 5
mid: mol2, SDF, SMILES, flexibase
1.43,6.18,-17.7,1,4,0, 231.299, 5

Similar to: 42128160, 44823536, 44823537, 49431126, ... 5 in total.
34614652
 
#64

eMolecules: 36517415
Molport: MolPort-019-910-740
Mcule: MCULE-2717644324
Vitas-M: STL134805
Vitas-M BB: BBL006802...9 total

ref: mol2, SDF, SMILES, flexibase
3.41,10.27,-21.04,2,3,0, 313.451, 1

Similar to: 38541383, 1867730, 17837262, 180790, ... 4 in total.
4032227
 
#65

eMolecules: 45794373
Molport: MolPort-003-012-971
Life Chemicals: F0341-0640
Mcule: MCULE-5844347956
Molport BB: MolPort-003-012-971...12 total

ref: mol2, SDF, SMILES, flexibase
6.37,11.44,-27.63,2,5,1, 382.443, 3
lo: mol2, SDF, SMILES, flexibase
6.37,11.96,-84.5,3,5,2, 383.451, 3
lo: mol2, SDF, SMILES, flexibase
6.37,10.37,-80.36,3,5,2, 383.451, 3

Similar to: 5387068,
2030238
 
#66

eMolecules: 2333331
Molport: MolPort-002-133-776
AKOS: AKOS001586496
ChemDiv: 0237-0004
Mcule: MCULE-8933120262...18 total

ref: mol2, SDF, SMILES, flexibase
2.43,1.19,-32.09,5,5,1, 289.355, 6
62453486
 
#67

eMolecules: 36517365
Molport: MolPort-019-910-695
Mcule: MCULE-1762657889
Molport BB: MolPort-019-910-695
Princeton BioMolecular Research: OSSL_924028...10 total

ref: mol2, SDF, SMILES, flexibase
1.06,8.98,-28.28,2,5,0, 290.363, 5
hi: mol2, SDF, SMILES, flexibase
1.06,7.04,-50.52,1,5,-1, 289.355, 5
62453484
 
#68

eMolecules: 36517365
Molport: MolPort-019-910-695
Mcule: MCULE-1762657889
Molport BB: MolPort-019-910-695
Princeton BioMolecular Research: OSSL_924028...10 total

ref: mol2, SDF, SMILES, flexibase
1.06,9.03,-29.42,2,5,0, 290.363, 5
hi: mol2, SDF, SMILES, flexibase
1.06,6.97,-48.94,1,5,-1, 289.355, 5
52121929
 
#69

eMolecules: 36517313
Molport: MolPort-011-208-128
Mcule: MCULE-1436847024
Molport BB: MolPort-011-208-128
Princeton BioMolecular Research: OSSL_923857...11 total

ref: mol2, SDF, SMILES, flexibase
2.34,8.6,-7.12,0,6,0, 268.244, 4
52121928
 
#70

eMolecules: 36517313
Molport: MolPort-011-208-128
Mcule: MCULE-1436847024
Molport BB: MolPort-011-208-128
Princeton BioMolecular Research: OSSL_923857...11 total

ref: mol2, SDF, SMILES, flexibase
2.34,8.45,-6.88,0,6,0, 268.244, 4
39410900
 
#71

eMolecules: 36517311
Molport: MolPort-011-202-450
Mcule: MCULE-9919789107
Molport BB: MolPort-011-202-450
Princeton BioMolecular Research: OSSL_923856...11 total

ref: mol2, SDF, SMILES, flexibase
2.20,8.54,-8.58,0,6,0, 250.254, 4
39410899
 
#72

eMolecules: 36517311
Molport: MolPort-011-202-450
Mcule: MCULE-9919789107
Molport BB: MolPort-011-202-450
Princeton BioMolecular Research: OSSL_923856...12 total

ref: mol2, SDF, SMILES, flexibase
2.20,8.38,-8.18,0,6,0, 250.254, 4
3326981
 
#73

eMolecules: 3323965
Molport: MolPort-002-940-198
AKOS: AKOS001080097
Enamine: Z45822744
Labotest: LT02085684...16 total

ref: mol2, SDF, SMILES, flexibase
2.05,-1.11,-12.15,1,5,0, 311.382, 5
3866599
 
#74

ChemMol: 44021541, 97802771, 97805427
eMolecules: 36517309, 23804235
Molport: MolPort-009-197-410, MolPort-019-910-664
AK Scientific: HTS001493, W3535
AKOS: AKOS005146255...58 total

ref: mol2, SDF, SMILES, flexibase
0.39,-0.13,-11.16,2,4,0, 168.177, 0

Similar to: 38583541,
20132134
 
#75

eMolecules: 15961255
Molport: MolPort-007-596-738
AKOS: AKOS001781616
Life Chemicals: F3411-0523
Mcule: MCULE-3660942395...13 total

ref: mol2, SDF, SMILES, flexibase
3.83,9.17,-55.48,2,3,1, 336.484, 3
20132142
 
#76

eMolecules: 15961259
Molport: MolPort-007-596-740
AKOS: AKOS001497410
Life Chemicals: F3411-0525
Mcule: MCULE-6514970912...13 total

ref: mol2, SDF, SMILES, flexibase
2.80,6.36,-50.35,2,3,1, 274.413, 2
hi: mol2, SDF, SMILES, flexibase
2.80,4.09,-8.01,1,3,0, 273.405, 2
8682860
 
#77

eMolecules: 15975602
Molport: MolPort-007-606-478
AK Scientific: HTS000874
AKOS: AKOS001791598
ChemDiv: C250-0002...24 total

ref: mol2, SDF, SMILES, flexibase
3.91,5.73,-6.12,1,2,0, 244.363, 1
33268018
 
#78

eMolecules: 32786282
Molport: MolPort-010-754-659
Mcule: MCULE-1424686117
Molport BB: MolPort-010-754-659
Princeton BioMolecular Research: OSSL_923231...10 total

ref: mol2, SDF, SMILES, flexibase
1.57,2.7,-45.07,3,6,-1, 290.324, 4
33268042
 
#79

eMolecules: 32786326
Molport: MolPort-010-754-674
Mcule: MCULE-9378480506
Molport BB: MolPort-010-754-674
Princeton BioMolecular Research: OSSL_923229...10 total

ref: mol2, SDF, SMILES, flexibase
1.17,1.35,-46.16,3,7,-1, 306.323, 5
33268115
 
#80

eMolecules: 32786456
Molport: MolPort-010-754-723
Mcule: MCULE-9763792219
Princeton BioMolecular Research: OSSL_923227
Vitas-M: STL133884...12 total

ref: mol2, SDF, SMILES, flexibase
1.99,2.65,-48.65,2,5,-1, 249.271, 3
lo: mol2, SDF, SMILES, flexibase
1.99,2.52,-37.5,3,5,0, 250.279, 3
33268116
 
#81

eMolecules: 32786458
Molport: MolPort-010-754-724
Mcule: MCULE-3424161640
Molport BB: MolPort-010-754-724
Princeton BioMolecular Research: OSSL_923226...13 total

ref: mol2, SDF, SMILES, flexibase
2.12,3.4,-45.31,2,4,-1, 237.235, 2
lo: mol2, SDF, SMILES, flexibase
2.12,3.28,-41.32,3,4,0, 238.243, 2
40339
 
#82

ChemMol: 51503495
eMolecules: 790892
Scientific Exchange (make on demand): POD_98/1000
AKOS: AKOS001061496
ChemDiv: 3562-5732...28 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.24,-9.7,0,3,0, 221.281, 0
lo: mol2, SDF, SMILES, flexibase
2.44,6.27,-36.93,1,3,1, 222.289, 0

Similar to: 39240740, 39240742,
20153868
 
#83

eMolecules: 22034736
Molport: MolPort-005-306-964
Scientific Exchange (make on demand): F-325359
AKOS: AKOS002676060
BioBlocks: A4499/0192351...27 total

ref: mol2, SDF, SMILES, flexibase
1.67,7.93,-9.03,3,5,0, 223.186, 2

Similar to: 38231843, 40175494, 40175495,
8558861
 
#84

eMolecules: 1534061
Molport: MolPort-001-913-122
Scientific Exchange (make on demand): F-325247
AKOS: AKOS002815896
BioBlocks: A3700/0156923...31 total

ref: mol2, SDF, SMILES, flexibase
0.64,6.27,-7.3,2,7,0, 275.19, 4
mid: mol2, SDF, SMILES, flexibase
2.52,9.2,-54.73,2,6,1, 314.365, 7
54963720
 
#85

eMolecules: 36517135
Molport: MolPort-014-761-272
Mcule: MCULE-7463008473
Molport BB: MolPort-014-761-272
Princeton BioMolecular Research: OSSL_923166...13 total

ref: mol2, SDF, SMILES, flexibase
3.48,7.4,-51.4,0,3,-1, 247.295, 4
34611007
 
#86

Molport: MolPort-019-910-544
Mcule: MCULE-9556880440
Vitas-M: STL133789
Vitas-M BB: BBL006605
Princeton BioMolecular (Depleted): OSSL_923162...7 total

ref: mol2, SDF, SMILES, flexibase
3.08,1.02,-7.99,0,5,0, 214.228, 3

Similar to: 41228929, 12370181, 21924367, 21634610, 12370182, ... 6 in total.
57352136
 
#87

eMolecules: 32255121, 36517117
Molport: MolPort-019-711-546, MolPort-019-910-540
AKOS: AKOS005712125
Mcule: MCULE-6411331533
Molport BB: MolPort-019-910-540...16 total

ref: mol2, SDF, SMILES, flexibase
2.40,3.37,-47.43,0,5,-1, 312.783, 0
lo: mol2, SDF, SMILES, flexibase
1.67,3.55,-18.6,1,5,0, 313.791, 0
57352135
 
#88

eMolecules: 32255115, 36517115
Molport: MolPort-019-711-543, MolPort-019-910-539
AK Scientific: HTS027696
AKOS: AKOS005712109
Mcule: MCULE-3547634618...18 total

ref: mol2, SDF, SMILES, flexibase
2.40,3.38,-51.86,0,5,-1, 312.783, 0
lo: mol2, SDF, SMILES, flexibase
1.67,3.56,-19.85,1,5,0, 313.791, 0
57352134
 
#89

eMolecules: 36517113
Molport: MolPort-019-711-541, MolPort-019-910-538
AK Scientific: HTS027694
Mcule: MCULE-4798537671
Molport BB: MolPort-038-941-621...15 total

ref: mol2, SDF, SMILES, flexibase
2.12,3.65,-53.49,0,5,-1, 292.365, 1
lo: mol2, SDF, SMILES, flexibase
1.39,3.88,-20.29,1,5,0, 293.373, 1
4712793
 
#90

eMolecules: 36517087
Molport: MolPort-001-897-715, MolPort-019-910-523
Mcule: MCULE-4800321910
Molport BB: MolPort-019-910-523
Vitas-M: STL133754...14 total

ref: mol2, SDF, SMILES, flexibase
3.16,-4.14,-40.95,1,3,-1, 279.142, 0
33268020
 
#91

eMolecules: 32786286
Molport: MolPort-010-754-661
Mcule: MCULE-7396590747
Molport BB: MolPort-010-754-661
Princeton BioMolecular Research: OSSL_923131...10 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.03,-45.07,3,6,-1, 276.297, 4
20410372
 
#92

ChemMol: 30104339, 44014092
Enolase via KEGG (EFI): C06827_1
Molport: MolPort-002-516-461
APIChem: AC-15069
Element Store BB: b2star-68585-25-1...80 total

ref: mol2, SDF, SMILES, flexibase
-1.35,-0.54,-65.96,4,8,-1, 364.403, 4

Similar to: 39391048, 39391049, 39391050, 39391051, ... 4 in total.
19850111
 
#93

ChemMol: 30104339, 44014092, 44002405
Enolase via KEGG (EFI): C06827_5
Molport: MolPort-002-516-461, MolPort-021-783-312
AK Scientific: Q787
American Custom Chemicals Corp.: API0001469...342 total

ref: mol2, SDF, SMILES, flexibase
-1.35,-0.58,-52.35,4,8,-1, 364.403, 4

Similar to: 2140544, 1530559, 1562698, 1821981, 1849661, ... 11 in total.
25073484
 
#94

ChemMol: 44014092, 30104339
Enolase via KEGG (EFI): C06827_3
APIChem: AC-15069
Element Store BB: b2star-68585-25-1
FineTech: FT-0602852...71 total

ref: mol2, SDF, SMILES, flexibase
-1.35,-1.95,-60.32,4,8,-1, 364.403, 4

Similar to: 4217253, 1562698, 1821981, 1849661, 3604143, ... 10 in total.
28630997
 
#95

ChemMol: 30104339, 44014092
Enolase via KEGG (EFI): C06827_7
APIChem: AC-15069
Apollo Scientific Bioactives: BIA0101
Element Store BB: b2star-68585-25-1...77 total

ref: mol2, SDF, SMILES, flexibase
-1.35,-1.21,-61.59,4,8,-1, 364.403, 4

Similar to: 2140544, 1530559, 1562698,
26892615
 
#96

eMolecules: 36517059
Molport: MolPort-006-122-192
AK Scientific: R099
AKOS: AKOS005746929
Bosche Scientific: B6215...21 total

ref: mol2, SDF, SMILES, flexibase
-0.01,2.37,-34.82,2,3,0, 179.2, 5
4048202
 
#97

eMolecules: 25566478
AKOS: AKOS005449103
Molport BB: MolPort-006-309-484
Vitas-M: STK377880
Vitas-M BB: BBL006529...11 total

ref: mol2, SDF, SMILES, flexibase
2.73,-5.6,-47.06,2,8,-1, 384.393, 6

Similar to: 5160805,
18024938
 
#98

eMolecules: 26924748
Aldrich CPR: L203351|ALDRICH
Molport BB: MolPort-006-309-483
TimTec: ST51226396
Vitas-M: STK377878...17 total

ref: mol2, SDF, SMILES, flexibase
0.45,6.28,-51.27,0,6,-1, 415.563, 5

Similar to: 39368774,
18087918
 
#99

eMolecules: 44211, 31519856
Molport: MolPort-005-982-639
AKOS: AKOS005447474
ChemBridge: 9265983
Innovapharm Building Blocks: BBS-00015084...21 total

ref: mol2, SDF, SMILES, flexibase
2.37,8.25,-53.51,1,5,-1, 239.258, 2
mid: mol2, SDF, SMILES, flexibase
2.16,9.27,-28.84,2,5,0, 240.266, 3
hi: mol2, SDF, SMILES, flexibase
2.62,7.97,-48.19,1,5,-1, 239.258, 3
1733115
 
#100

eMolecules: 2866272
Molport: MolPort-002-468-701
Scientific Exchange (make on demand): F-137807
AKOS: AKOS001110232
Alinda Building Blocks: ALBB-023442...44 total

ref: mol2, SDF, SMILES, flexibase
2.71,0.14,-51.28,0,2,-1, 179.239, 1

Similar to: 5722458, 34539170, 39251997,

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 297 ) limit 0,100

Smiles were