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20347666
 
#1

eMolecules: 2236118
Molport: MolPort-002-266-942
AKOS: AKOS005633272
ChemBridge: 7765839
Mcule: MCULE-1798915929...13 total

ref: mol2, SDF, SMILES, flexibase
5.68,13.37,-35.41,2,5,0, 463.647, 6
1064377
 
#2

eMolecules: 2508289
Molport: MolPort-002-292-594
ChemBridge: 7966032
Mcule: MCULE-4717439099
ChemDB: 4505267...9 total

ref: mol2, SDF, SMILES, flexibase
5.05,1.1,-14.27,0,5,0, 379.419, 3

Similar to: 1514286,
2928734
 
#3

eMolecules: 24842511
Molport: MolPort-016-586-486
ChemBridge: 5781263
Mcule: MCULE-5857108924, MCULE-7207641481
ChemDB: 4316943...11 total

ref: mol2, SDF, SMILES, flexibase
7.20,1.68,-9.42,1,4,0, 449.55, 7
19629953
 
#4

Scientific Exchange (make on demand): F-027879
ChemBridge: 7706319
Vitas-M: STK406489
PubChem: 28247923
ref: mol2, SDF, SMILES, flexibase
3.62,10.97,-19.23,1,6,0, 439.533, 6
19629960
 
#5

Scientific Exchange (make on demand): F-027879
ChemBridge: 7706319
Vitas-M: STK406489
PubChem: 28247925
ref: mol2, SDF, SMILES, flexibase
3.62,10.91,-19.46,1,6,0, 439.533, 6
19939437
 
#6

eMolecules: 4416750
Molport: MolPort-002-557-708
ChemBridge: 5780955
IBScreen: STOCK1S-94594
Mcule: MCULE-6415909435...9 total

ref: mol2, SDF, SMILES, flexibase
4.31,10.1,-10.43,0,6,0, 408.498, 6

Similar to: 4834307,
20351473
 
#7

eMolecules: 20689795
Molport: MolPort-005-135-585
ChemBridge: 77642026
Mcule: MCULE-2115152532
Collaborative Drug Discovery: 558082...9 total

ref: mol2, SDF, SMILES, flexibase
3.65,4.89,-10.57,1,4,0, 399.585, 7
mid: mol2, SDF, SMILES, flexibase
3.65,7.16,-37.68,2,4,1, 400.593, 7
mid: mol2, SDF, SMILES, flexibase
3.65,7.26,-51.29,2,4,1, 400.593, 7
285570
 
#8

eMolecules: 949215
Molport: MolPort-001-517-515
AKOS: AKOS001637096
ChemBridge: 5780470
Enamine: Z29885123...20 total

ref: mol2, SDF, SMILES, flexibase
2.44,-0.53,-9.51,1,4,0, 287.29, 3
2928662
 
#9

eMolecules: 949215
Molport: MolPort-001-517-515
AKOS: AKOS001637096
ChemBridge: 5780470
Enamine: Z29885123...20 total

ref: mol2, SDF, SMILES, flexibase
2.44,-0.6,-9.6,1,4,0, 287.29, 3
12209516
 
#10

eMolecules: 20717531
Molport: MolPort-005-149-124
ChemBridge: 87379992
Mcule: MCULE-1645110248
Collaborative Drug Discovery: 567380...10 total

ref: mol2, SDF, SMILES, flexibase
5.50,1.79,-111.05,2,3,2, 432.649, 8

Similar to: 12209522,
2982380
 
#11

eMolecules: 2395522
Molport: MolPort-002-199-122
ChemBridge: 6413167
Mcule: MCULE-6733983262
ChemDB: 4368046...9 total

ref: mol2, SDF, SMILES, flexibase
5.43,-0.92,-13.89,1,4,0, 392.505, 5

Similar to: 19894508, 1110468,
12625376
 
#12

eMolecules: 25856189
Molport: MolPort-001-945-564
Scientific Exchange (make on demand): X-013673
AKOS: AKOS002169314, AKOS001027613
Asinex: BAS00744868...21 total

ref: mol2, SDF, SMILES, flexibase
5.13,9.88,-12.79,0,5,0, 354.413, 4

Similar to: 38266477,
4989499
 
#13

ChemBridge: 5464216
ref: mol2, SDF, SMILES, flexibase
3.42,0,-47.79,1,6,-1, 325.703, 5
1211968
 
#14

eMolecules: 2103187
Molport: MolPort-001-503-178
AKOS: AKOS001081608
Alinda: IVK/8084125
ChemBridge: 5776895...19 total

ref: mol2, SDF, SMILES, flexibase
5.34,10.34,-10.13,1,3,0, 350.849, 3
mid: mol2, SDF, SMILES, flexibase
5.40,8.81,-6.48,1,3,0, 350.849, 3

Similar to: 5685526, 6249567, 6252593, 6341987, 6342025, ... 5 in total.
12199636
 
#15

eMolecules: 20714075
Molport: MolPort-005-147-431
ChemBridge: 86125025
Mcule: MCULE-7155093676
Collaborative Drug Discovery: 566207...8 total

ref: mol2, SDF, SMILES, flexibase
3.35,1.52,-51.93,1,5,1, 375.924, 6
6669690
 
#16

eMolecules: 2372245
Molport: MolPort-002-167-335
ChemBridge: 5774844
Mcule: MCULE-3094879078
Collaborative Drug Discovery: 438527...8 total

ref: mol2, SDF, SMILES, flexibase
4.01,-2.05,-14.3,0,5,0, 358.445, 4

Similar to: 34475108,
20735126
 
#17

eMolecules: 18497933
Molport: MolPort-004-849-257
AKOS: AKOS005632246
ChemBridge: 5774838
IBScreen: STOCK6S-71922...16 total

ref: mol2, SDF, SMILES, flexibase
3.73,8.74,-14.03,1,5,0, 335.407, 7

Similar to: 4968297,
5031630
 
#18

eMolecules: 24842367
Molport: MolPort-016-586-468
ChemBridge: 5774835
Mcule: MCULE-7964596586
ChemDB: 7513407...9 total

ref: mol2, SDF, SMILES, flexibase
1.87,-2.24,-4.5,0,3,0, 177.251, 1

Similar to: 36731743, 36731763, 36731767,
21795205
 
#19

eMolecules: 22141391
Molport: MolPort-005-207-547
ChemBridge: 5774833
Mcule: MCULE-9442476608
Individual Suppliers: UNNAMED00000988...10 total

ref: mol2, SDF, SMILES, flexibase
1.61,3.41,-4.95,1,3,0, 163.224, 2

Similar to: 21801684, 36731763, 42187728,
12380611
 
#20

eMolecules: 20384095
Molport: MolPort-008-306-637
AKOS: AKOS003400503
Alinda: IVK/0043051
ChemBridge: 9098744...13 total

ref: mol2, SDF, SMILES, flexibase
3.17,-0.16,-47.28,2,4,1, 332.251, 4

Similar to: 46820219, 46820221,
678054
 
#21

eMolecules: 1284777
Molport: MolPort-001-508-152
Scientific Exchange (make on demand): K-020306
AKOS: AKOS000677417
Alinda: IBS-L0140986...20 total

ref: mol2, SDF, SMILES, flexibase
3.21,10.29,-10.87,0,8,0, 403.822, 5

Similar to: 6931898, 8015685, 15949933,
19877136
 
#22

eMolecules: 2428785
Molport: MolPort-002-233-322
AKOS: AKOS003361656
ChemBridge: 7010685
Mcule: MCULE-5508722496...14 total

ref: mol2, SDF, SMILES, flexibase
2.81,5.19,-12.89,1,5,0, 385.302, 7
mid: mol2, SDF, SMILES, flexibase
3.00,3.82,-40.5,2,5,1, 386.31, 7

Similar to: 3002658,
1891421
 
#23

eMolecules: 603083
Molport: MolPort-002-046-983
AKOS: AKOS002270844
Aldrich CPR: R105481|ALDRICH
ChemBridge: 5774733...14 total

ref: mol2, SDF, SMILES, flexibase
4.18,2.13,-16.08,1,6,0, 385.46, 10

Similar to: 5698277,
1200409
 
#24

eMolecules: 2095783
Molport: MolPort-001-632-394
AKOS: AKOS003252463
Alinda: IVK/8036317
ChemBridge: 5697580...15 total

ref: mol2, SDF, SMILES, flexibase
5.71,1.48,-19.35,1,6,0, 397.434, 4

Similar to: 5942632, 6124457, 6271847, 6278422, 6278556, ... 8 in total.
133310
 
#25

eMolecules: 603011
Scientific Exchange (make on demand): K-059389
AKOS: AKOS001027003
Aldrich CPR: R105090|ALDRICH
ChemBridge: 5774725...19 total

ref: mol2, SDF, SMILES, flexibase
3.51,1.64,-12.7,1,5,0, 335.787, 5
1200407
 
#26

eMolecules: 2095781
Molport: MolPort-001-632-341
AKOS: AKOS001031006
Alinda: IVK/8029275
ChemBridge: 5697576...16 total

ref: mol2, SDF, SMILES, flexibase
5.17,10.81,-24.22,1,8,0, 463.877, 6
990016
 
#27

eMolecules: 2103154
Molport: MolPort-002-167-321
Scientific Exchange (make on demand): T-058972
ChemBridge: 5774697
Mcule: MCULE-8102623457...14 total

ref: mol2, SDF, SMILES, flexibase
6.25,-0.54,-18.58,1,5,0, 394.43, 4

Similar to: 26146965,
2081979
 
#28

eMolecules: 2368754
Molport: MolPort-001-620-994
AKOS: AKOS003254854
Alinda: IVK/8035520
ChemBridge: 5697456...17 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.73,-21.09,1,1,0, 417.852, 6

Similar to: 9056721,
5020939
 
#29

eMolecules: 25875217
Molport: MolPort-001-489-799
AKOS: AKOS003754507
Alinda: IVK/8024613
ChemBridge: 5697338...15 total

ref: mol2, SDF, SMILES, flexibase
2.30,-3.89,-52.79,1,6,-1, 331.373, 7

Similar to: 38729382,
275864
 
#30

eMolecules: 658419
AKOS: AKOS000507116
Aldrich CPR: R639419|ALDRICH
ChemBridge: 5774641
Innovapharm: STT-00094152...19 total

ref: mol2, SDF, SMILES, flexibase
2.25,-2.88,-12.65,3,6,0, 322.386, 5

Similar to: 25070881, 25070885, 25070987, 25070992, ... 4 in total.
1200352
 
#31

eMolecules: 2095687
Molport: MolPort-001-489-566
AKOS: AKOS003250465
Alinda: IVK/8025903
ChemBridge: 5697004...15 total

ref: mol2, SDF, SMILES, flexibase
4.36,1.08,-14.65,1,7,0, 388.445, 6

Similar to: 2729582, 5910535, 6278654, 6278655, 6278657, ... 6 in total.
275862
 
#32

eMolecules: 658419
AKOS: AKOS000507116
Aldrich CPR: R639419|ALDRICH
ChemBridge: 5774641
Innovapharm: STT-00094152...19 total

ref: mol2, SDF, SMILES, flexibase
2.25,-2.9,-12.77,3,6,0, 322.386, 5

Similar to: 25070881, 25070885, 25070987, 25070992, ... 4 in total.
190828
 
#33

eMolecules: 1820683
Scientific Exchange (make on demand): X-015249
AKOS: AKOS001671649
ChemBridge: 5696314
ChemDiv: 4477-0838...17 total

ref: mol2, SDF, SMILES, flexibase
4.83,2.66,-8.01,0,5,0, 320.348, 2

Similar to: 5711986, 5714080, 5742755, 5743485, 5745756, ... 33 in total.
89017
 
#34

eMolecules: 2095535
Molport: MolPort-001-492-008
AKOS: AKOS001660621
Alinda: IVK/8034843
BioBlocks: A2565/0109310...19 total

ref: mol2, SDF, SMILES, flexibase
3.28,1.91,-13.76,1,7,0, 348.38, 5

Similar to: 6123100, 31683952,
1200227
 
#35

eMolecules: 43358404
Molport: MolPort-002-164-078
ChemBridge: 5696054
Mcule: MCULE-1481068866
ChemDB: 4309533...9 total

ref: mol2, SDF, SMILES, flexibase
4.15,2.09,-14.88,1,7,0, 376.434, 7

Similar to: 5326613, 5477155, 6123100, 6123267, 25876108, ... 5 in total.
1200212
 
#36

eMolecules: 25875139
Molport: MolPort-001-491-900
AKOS: AKOS003255056
Alinda: IVK/8040820
ChemBridge: 5695921...13 total

ref: mol2, SDF, SMILES, flexibase
4.95,1.61,-16.77,1,6,0, 379.441, 5

Similar to: 1945797, 1959365, 1959565, 5705203, 5904320, ... 24 in total.
5471850
 
#37

Molport: MolPort-001-621-010
ChemBridge: 5695445
ref: mol2, SDF, SMILES, flexibase
2.53,-4.58,-47.07,2,5,1, 361.285, 4

Similar to: 6125971, 43913130,
178907
 
#38

eMolecules: 25875093
Scientific Exchange (make on demand): R-002925
AKOS: AKOS001596110
Alinda: IVK/8042455
ChemBridge: 5695031...20 total

ref: mol2, SDF, SMILES, flexibase
2.23,2.18,-15.02,1,7,0, 273.248, 4

Similar to: 21126607,
97009
 
#39

eMolecules: 1275778
Scientific Exchange (make on demand): X-022082
AKOS: AKOS000592510
Asinex: BAS00789090
ChemBridge: 5694970...21 total

ref: mol2, SDF, SMILES, flexibase
3.30,10.33,-43.55,0,5,-1, 330.319, 2
5020808
 
#40

eMolecules: 4002661
Molport: MolPort-001-490-357
AKOS: AKOS003253268
Alinda: IVK/8035727
ChemBridge: 5694542...14 total

ref: mol2, SDF, SMILES, flexibase
2.40,0.89,-57.73,2,7,1, 319.385, 6

Similar to: 5909628, 376148,
995744
 
#41

eMolecules: 2095273
Molport: MolPort-001-490-392
AKOS: AKOS003253322
Alinda: IVK/8046587
ChemBridge: 5694421...17 total

ref: mol2, SDF, SMILES, flexibase
5.83,1.85,-21.42,1,6,0, 415.424, 4
1023516
 
#42

eMolecules: 2095243
Molport: MolPort-001-492-058
AKOS: AKOS001659665
Alinda: IVK/8041473
BioBlocks: A2568/0109458...20 total

ref: mol2, SDF, SMILES, flexibase
3.54,1.64,-11.47,1,7,0, 368.798, 5

Similar to: 6123252,
2734140
 
#43

eMolecules: 2095195
Molport: MolPort-001-620-843
Scientific Exchange (make on demand): X-098893
AKOS: AKOS003250356
Alinda: IVK/8023898...16 total

ref: mol2, SDF, SMILES, flexibase
5.73,0.79,-23.62,1,6,0, 383.407, 4

Similar to: 34869953,
283720
 
#44

eMolecules: 25805873
Molport: MolPort-001-890-212
Scientific Exchange (make on demand): Z-066326
AKOS: AKOS000598832
Asinex: BAS00845944...18 total

ref: mol2, SDF, SMILES, flexibase
3.32,0.3,-15.14,1,7,0, 312.281, 4
4134540
 
#45

eMolecules: 5470823
AKOS: AKOS001618201
ChemBridge: 5693512
ChemDiv: 3594-0466
Mcule: MCULE-2681541260...14 total

ref: mol2, SDF, SMILES, flexibase
2.67,-3.85,-47.7,1,8,-1, 383.789, 7

Similar to: 4134539,
4134539
 
#46

eMolecules: 5470823
AKOS: AKOS001618201
ChemBridge: 5693512
ChemDiv: 3594-0466
Mcule: MCULE-2681541260...14 total

ref: mol2, SDF, SMILES, flexibase
2.67,-3.78,-46.88,1,8,-1, 383.789, 7

Similar to: 4134540,
20533837
 
#47

eMolecules: 2368389
Molport: MolPort-001-489-219
AKOS: AKOS003249883
Alinda: IVK/8026795
ChemBridge: 5693506...15 total

ref: mol2, SDF, SMILES, flexibase
5.39,12.71,-15.88,0,7,0, 517.383, 4
5175760
 
#48

eMolecules: 25875029
Molport: MolPort-001-490-419
AKOS: AKOS001596185
Alinda: IVK/8040952
ChemBridge: 5693312...18 total

ref: mol2, SDF, SMILES, flexibase
1.23,0.8,-48.22,1,8,-1, 367.403, 8
5682950
 
#49

Molport: MolPort-001-490-898
ChemBridge: 5692776
Vitas-M: STK444902
ref: mol2, SDF, SMILES, flexibase
3.37,0.19,-50.71,2,4,1, 348.47, 5
5682946
 
#50

Molport: MolPort-001-490-898
ChemBridge: 5692776
Vitas-M: STK444902
ref: mol2, SDF, SMILES, flexibase
3.37,0.34,-51.79,2,4,1, 348.47, 5
5682947
 
#51

Molport: MolPort-001-490-898
ChemBridge: 5692776
Vitas-M: STK444902
ref: mol2, SDF, SMILES, flexibase
3.37,0.34,-51.42,2,4,1, 348.47, 5
5682943
 
#52

Molport: MolPort-001-490-898
ChemBridge: 5692776
Vitas-M: STK444902
ref: mol2, SDF, SMILES, flexibase
3.37,0.19,-50.81,2,4,1, 348.47, 5
18069285
 
#53

eMolecules: 2095003
Molport: MolPort-001-489-052
AKOS: AKOS001123489
Alinda: IVK/8030472
ChemBridge: 5692531...23 total

ref: mol2, SDF, SMILES, flexibase
3.04,4.87,-43.32,0,5,-1, 330.794, 5
mid: mol2, SDF, SMILES, flexibase
3.04,4.83,-10.42,1,5,0, 331.802, 5

Similar to: 34958617, 7708993,
18271491
 
#54

eMolecules: 2524666
Molport: MolPort-001-611-367
Scientific Exchange (make on demand): M-810041
AKOS: AKOS003354806
BioBlocks: A3789/0160867...21 total

ref: mol2, SDF, SMILES, flexibase
0.88,7.04,-19.96,0,9,0, 443.5, 6
ref: mol2, SDF, SMILES, flexibase
0.88,6.8,-16.56,0,9,0, 443.5, 6
mid: mol2, SDF, SMILES, flexibase
0.88,9.22,-66.46,1,9,1, 444.508, 6

Similar to: 9892345,
19827715
 
#55

eMolecules: 1291320
Molport: MolPort-000-906-862
Scientific Exchange (make on demand): R-012094
AKOS: AKOS000655204
Asinex: BAS00915214...21 total

ref: mol2, SDF, SMILES, flexibase
4.78,11.32,-19.44,1,6,0, 490.394, 6

Similar to: 716977, 716978, 716979, 716980, ... 4 in total.
11821662
 
#56

eMolecules: 20700005
Molport: MolPort-005-140-565
ChemBridge: 81109874
Mcule: MCULE-4173655955
Collaborative Drug Discovery: 561489...9 total

ref: mol2, SDF, SMILES, flexibase
4.85,0.47,-11.2,1,3,0, 332.447, 2

Similar to: 11821663,
12050125
 
#57

eMolecules: 20699955
Molport: MolPort-005-140-541
ChemBridge: 81090726
Mcule: MCULE-6665470836
Collaborative Drug Discovery: 561474...9 total

ref: mol2, SDF, SMILES, flexibase
0.24,-1.51,-23.05,1,7,0, 334.383, 4

Similar to: 12050127,
19827711
 
#58

eMolecules: 1291320
Molport: MolPort-000-906-862
Scientific Exchange (make on demand): R-012094
AKOS: AKOS000655204
Asinex: BAS00915214...21 total

ref: mol2, SDF, SMILES, flexibase
4.78,11.27,-19.6,1,6,0, 490.394, 6

Similar to: 716977, 716978, 716979, 716980, ... 4 in total.
4860548
 
#59

eMolecules: 25879147
Molport: MolPort-002-047-105
AKOS: AKOS002276175
Aldrich CPR: R102075|ALDRICH
American Custom Chemicals Corp.: CHM0199927...18 total

ref: mol2, SDF, SMILES, flexibase
2.34,-0.76,-18.18,1,5,0, 344.417, 3

Similar to: 1211932,
2890783
 
#60

eMolecules: 2011786
Molport: MolPort-002-300-415
ChemBridge: 7990778
Mcule: MCULE-2027842741
Princeton BioMolecular Research: OSSK_674984...15 total

ref: mol2, SDF, SMILES, flexibase
4.32,1.17,-14.94,1,6,0, 486.351, 7

Similar to: 8923687, 8923690,
20451655
 
#61

eMolecules: 43553283
Molport: MolPort-005-034-473
ChemBridge: 23034603
Collaborative Drug Discovery: 491322
PubChem: 45187625...8 total

ref: mol2, SDF, SMILES, flexibase
1.60,4.69,-10.89,1,10,0, 391.476, 8

Similar to: 12112018, 12112019,
4838566
 
#62

eMolecules: 2271821
Molport: MolPort-002-099-544
ChemBridge: 7993418
Mcule: MCULE-3552314535
ChemDB: 7540080...8 total

ref: mol2, SDF, SMILES, flexibase
3.42,-2.17,-13.69,1,6,0, 365.794, 4
4851221
 
#63

eMolecules: 2528282
Molport: MolPort-002-301-880
ChemBridge: 7998234
Mcule: MCULE-3792398604
ChEMBL19: CHEMBL1879233...11 total

ref: mol2, SDF, SMILES, flexibase
2.25,3.23,-19.39,2,7,0, 390.461, 7

Similar to: 4851216,
12305344
 
#64

eMolecules: 20620097
Molport: MolPort-005-101-823
ChemBridge: 56049962
Mcule: MCULE-1293044495
Collaborative Drug Discovery: 534964...9 total

ref: mol2, SDF, SMILES, flexibase
2.93,-0.19,-17.07,1,6,0, 353.422, 6
lo: mol2, SDF, SMILES, flexibase
2.93,-0.08,-47.15,2,6,1, 354.43, 6

Similar to: 11821390, 11821391,
778036
 
#65

eMolecules: 2103129
Molport: MolPort-001-632-298
Scientific Exchange (make on demand): X-086871
AKOS: AKOS001054735
BioBlocks: A1679/0071657...22 total

ref: mol2, SDF, SMILES, flexibase
2.97,10.76,-20.03,1,5,0, 408.454, 5
32565796
 
#66

eMolecules: 2076645
Molport: MolPort-002-115-696
American Custom Chemicals Corp.: CHM0242318
ChemBridge: 5478529
Mcule: MCULE-7432491871...10 total

ref: mol2, SDF, SMILES, flexibase
3.21,8.05,-14.64,2,5,0, 318.38, 3
20534244
 
#67

eMolecules: 20700645
Molport: MolPort-005-140-877
ChemBridge: 81330880
Mcule: MCULE-3347075117
Collaborative Drug Discovery: 561701...8 total

ref: mol2, SDF, SMILES, flexibase
4.07,8.25,-12.22,1,7,0, 388.427, 7
20453348
 
#68

eMolecules: 20478927
Molport: MolPort-005-036-601
ChemBridge: 23872090
Collaborative Drug Discovery: 596486
PubChem: 28956264...8 total

ref: mol2, SDF, SMILES, flexibase
4.03,9.89,-67.33,2,5,1, 432.604, 8
11841028
 
#69

eMolecules: 20684191
Molport: MolPort-005-132-842
ChemBridge: 75742106
Mcule: MCULE-9311233574
Collaborative Drug Discovery: 556214...9 total

ref: mol2, SDF, SMILES, flexibase
0.04,-3.3,-15.32,3,6,0, 333.363, 6

Similar to: 11841029, 12372791, 12372792,
32565753
 
#70

eMolecules: 25859611
Molport: MolPort-002-151-710
ChemBridge: 5471197
Mcule: MCULE-3113639850
ChemDB: 4289821...9 total

ref: mol2, SDF, SMILES, flexibase
6.23,11.92,-14.21,2,4,0, 408.288, 4
32565750
 
#71

eMolecules: 25859555
Molport: MolPort-002-151-672
ChemBridge: 5470907
Mcule: MCULE-6188841217
ChemDB: 4289758...7 total

ref: mol2, SDF, SMILES, flexibase
4.01,7.26,-15.38,2,8,0, 455.208, 6
hi: mol2, SDF, SMILES, flexibase
4.01,8,-42.49,1,8,-1, 454.2, 6

Similar to: 34856021, 34856022,
11951615
 
#72

eMolecules: 20695779
Molport: MolPort-005-138-491
ChemBridge: 79647173
Mcule: MCULE-4969131359
Collaborative Drug Discovery: 560072...9 total

ref: mol2, SDF, SMILES, flexibase
3.76,0.68,-18.35,0,4,0, 371.502, 6

Similar to: 11951622, 39357035, 39357036, 39357037, 39357038, ... 5 in total.
843068
 
#73

eMolecules: 1288545
Molport: MolPort-001-950-089
AKOS: AKOS000387105
ChemBridge: 5732082
Mcule: MCULE-3957989064...17 total

ref: mol2, SDF, SMILES, flexibase
4.79,-2.06,-19.04,1,6,0, 428.485, 7

Similar to: 9847005,
13615210
 
#74

eMolecules: 1282146
Molport: MolPort-001-902-272
ChemBridge: 5732052
Mcule: MCULE-2273472313
ChemDB: 5067159...8 total

ref: mol2, SDF, SMILES, flexibase
3.46,7.7,-15.73,1,6,0, 424.522, 8

Similar to: 10008561, 10325623, 10331971, 10434264, ... 4 in total.
19890999
 
#75

eMolecules: 2011102
AKOS: AKOS002316060
ChemBridge: 7973076
Enamine: Z1347691890
Innovapharm: STT-00295502...22 total

ref: mol2, SDF, SMILES, flexibase
1.92,0.9,-11.77,1,6,0, 348.852, 6

Similar to: 1067571,
19872230
 
#76

Molport: MolPort-000-946-357, MolPort-002-295-649
Scientific Exchange (make on demand): M-773679
AKOS: AKOS003216485
ChemBridge: 7973075
Mcule: MCULE-1648491302...21 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.06,-15.54,3,5,0, 370.493, 9

Similar to: 19872232, 19872234, 4867437, 4867440, 4867443, ... 7 in total.
19872234
 
#77

Molport: MolPort-000-946-357, MolPort-002-295-649
Scientific Exchange (make on demand): M-773679
AKOS: AKOS003216485
ChemBridge: 7973075
Mcule: MCULE-1648491302...21 total

ref: mol2, SDF, SMILES, flexibase
2.99,5.76,-16.19,3,5,0, 370.493, 9

Similar to: 4867437, 4867440, 4867443, 4867444, 19872228, ... 7 in total.
362256
 
#78

eMolecules: 1131992
Molport: MolPort-001-849-056
ChemBridge: 5731978
Mcule: MCULE-8666108461
Specs: AN-652/12119222...14 total

ref: mol2, SDF, SMILES, flexibase
3.62,5.85,-12.62,1,4,0, 309.724, 4

Similar to: 11601857, 21790556, 25802288, 36888512, ... 4 in total.
678257
 
#79

eMolecules: 1361584
Molport: MolPort-001-971-165
ChemBridge: 5731889
Mcule: MCULE-1555881148
Ryan Scientific (Depleted): 002-67712...11 total

ref: mol2, SDF, SMILES, flexibase
5.03,-3.33,-19.39,1,8,0, 516.641, 11

Similar to: 1149418,
678254
 
#80

eMolecules: 1361582
Molport: MolPort-001-971-164
ChemBridge: 5731863
Mcule: MCULE-9117542722
Ryan Scientific (Depleted): 002-67711...12 total

ref: mol2, SDF, SMILES, flexibase
5.37,-3.27,-18.51,1,7,0, 500.642, 11
8426401
 
#81

eMolecules: 1361546
Molport: MolPort-001-971-146
AKOS: AKOS000611633
Asinex: BAS01979397
ChemBridge: 5731800...13 total

ref: mol2, SDF, SMILES, flexibase
4.10,-2.79,-22.43,1,1,0, 528.627, 9
5526563
 
#82

eMolecules: 2253375
Molport: MolPort-002-084-717
ChemBridge: 5731671
Enamine: Z45577349
Mcule: MCULE-2766097620...10 total

ref: mol2, SDF, SMILES, flexibase
3.51,-2.46,-9.81,1,5,0, 345.779, 5
60764
 
#83

eMolecules: 2018084
Molport: MolPort-001-508-408
Scientific Exchange: K-020680
AKOS: AKOS003267775
Alinda: IBS-L0140766...18 total

ref: mol2, SDF, SMILES, flexibase
3.82,8.88,-11.84,1,3,0, 286.35, 5

Similar to: 39043732,
11953535
 
#84

eMolecules: 20696647
Molport: MolPort-005-138-920
ChemBridge: 79960096
Mcule: MCULE-6345091766
Collaborative Drug Discovery: 560372...9 total

ref: mol2, SDF, SMILES, flexibase
3.26,0.92,-14.23,1,6,0, 404.466, 5

Similar to: 11953541,
12075577
 
#85

eMolecules: 20709879
Molport: MolPort-005-145-369
ChemBridge: 84589913
Mcule: MCULE-1459103144
Collaborative Drug Discovery: 564806...9 total

ref: mol2, SDF, SMILES, flexibase
4.52,-1.28,-11.51,1,4,0, 433.602, 3

Similar to: 4184769, 12075573,
20515676
 
#86

eMolecules: 23831947
Molport: MolPort-005-140-256
ChemBridge: 80887271
Mcule: MCULE-4921658058
Collaborative Drug Discovery: 561292...8 total

ref: mol2, SDF, SMILES, flexibase
0.50,6.52,-16.76,0,7,0, 317.345, 3
12429321
 
#87

eMolecules: 20489141
Molport: MolPort-005-041-136
ChemBridge: 25760117
Mcule: MCULE-1536220705
Collaborative Drug Discovery: 495336...9 total

ref: mol2, SDF, SMILES, flexibase
2.28,2.04,-14.68,0,8,0, 386.452, 8

Similar to: 12429320,
20877520
 
#88

eMolecules: 20749815
Molport: MolPort-005-165-084
ChemBridge: 99493084
Mcule: MCULE-6108333604
Collaborative Drug Discovery: 578467...10 total

ref: mol2, SDF, SMILES, flexibase
1.67,2.95,-10.43,2,6,0, 405.564, 10
mid: mol2, SDF, SMILES, flexibase
1.67,5.34,-48.29,3,6,1, 406.572, 10
mid: mol2, SDF, SMILES, flexibase
1.67,4.37,-50.52,3,6,1, 406.572, 10

Similar to: 20877523, 11753750, 11753751,
234721
 
#89

eMolecules: 1280706
Molport: MolPort-001-947-861
AKOS: AKOS000594188
Asinex: BAS00834482
ChemBridge: 5731319...10 total

ref: mol2, SDF, SMILES, flexibase
3.91,-2.79,-6.36,3,4,0, 346.43, 7
1066583
 
#90

eMolecules: 1249165
Molport: MolPort-000-905-206
Scientific Exchange (make on demand): Z-079860
AKOS: AKOS000655268
Asinex: BAS00612918...20 total

ref: mol2, SDF, SMILES, flexibase
5.63,1.67,-14.91,1,2,0, 353.465, 1

Similar to: 4420925, 4420927, 4930194, 4930204, ... 4 in total.
11957607
 
#91

eMolecules: 20698433
Molport: MolPort-005-139-808
ChemBridge: 80572966
Mcule: MCULE-1686892492
Collaborative Drug Discovery: 560991...10 total

ref: mol2, SDF, SMILES, flexibase
1.59,-3.52,-104.25,5,5,2, 408.489, 9

Similar to: 39306136, 11957599,
11957626
 
#92

eMolecules: 20698443
Molport: MolPort-005-139-814
ChemBridge: 80576179
Mcule: MCULE-4041129508
Collaborative Drug Discovery: 560994...9 total

ref: mol2, SDF, SMILES, flexibase
3.81,2.93,-36.46,1,6,1, 420.961, 9

Similar to: 11957631,
11957952
 
#93

eMolecules: 20698583
Molport: MolPort-005-139-885
ChemBridge: 80624822
Mcule: MCULE-3399076305
Collaborative Drug Discovery: 561042...9 total

ref: mol2, SDF, SMILES, flexibase
3.06,4.29,-22.76,0,5,0, 385.382, 8

Similar to: 11957944,
11957998
 
#94

eMolecules: 20698609
Molport: MolPort-005-139-894
ChemBridge: 80633184
Mcule: MCULE-1402283908
Collaborative Drug Discovery: 561047...8 total

ref: mol2, SDF, SMILES, flexibase
5.41,0.55,-12.11,1,4,0, 384.479, 4

Similar to: 11958002,
18244641
 
#95

eMolecules: 1803242
Molport: MolPort-001-599-818
Scientific Exchange (make on demand): M-659783
AKOS: AKOS003333429
ChemBridge: 7958661...17 total

ref: mol2, SDF, SMILES, flexibase
4.92,13.63,-16.01,0,6,0, 473.356, 5
2350421
 
#96

eMolecules: 2273015
Molport: MolPort-002-099-973
ChemBridge: 7997169
Mcule: MCULE-5377704236
ChemDB: 7404719...9 total

ref: mol2, SDF, SMILES, flexibase
0.38,-2.61,-16.94,1,6,0, 370.412, 5
lo: mol2, SDF, SMILES, flexibase
0.38,-2.5,-39.75,2,6,1, 371.42, 5

Similar to: 5164371, 5180270, 5197874, 5818551, 8579480, ... 11 in total.
18093441
 
#97

eMolecules: 2313862
Scientific Exchange (make on demand): M-168223
AKOS: AKOS003320231
ChemBridge: 7724295
IBScreen: STOCK3S-60388...21 total

ref: mol2, SDF, SMILES, flexibase
1.92,7.82,-57.36,0,8,-1, 408.434, 5
ref: mol2, SDF, SMILES, flexibase
1.92,7.8,-57.4,0,8,-1, 408.434, 5
20448758
 
#98

eMolecules: 25995399
Molport: MolPort-005-031-245
ChemBridge: 21769235
Collaborative Drug Discovery: 594368
PubChem: 28953178...6 total

ref: mol2, SDF, SMILES, flexibase
2.05,6.54,-22.35,1,8,0, 431.562, 10
19841922
 
#99

eMolecules: 25879127
Molport: MolPort-002-167-300
AKOS: AKOS000348477
AsisChem: E02402
ChemBridge: 5774297...15 total

ref: mol2, SDF, SMILES, flexibase
1.65,2.11,-16.61,1,5,0, 303.387, 2
hi: mol2, SDF, SMILES, flexibase
1.65,2.9,-49.5,0,5,-1, 302.379, 2

Similar to: 19841925, 20413959, 33320411, 39140902, 41206394, ... 9 in total.
5482569
 
#100

eMolecules: 8835689
Molport: MolPort-002-793-797
ChemBridge: 5774290
Mcule: MCULE-6675368714
ChemDB: 7198468...9 total

ref: mol2, SDF, SMILES, flexibase
6.41,0.88,-7.05,2,3,0, 364.533, 2

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 = 4 ) limit 0,100

Smiles were