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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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29580793
 
#1

eMolecules: 29955554
Molport: MolPort-009-035-238
Enamine: Z203212926
Mcule: MCULE-5589752860
PubChem: 45794379...7 total

ref: mol2, SDF, SMILES, flexibase
1.40,7.42,-19.3,2,6,0, 349.39, 3
hi: mol2, SDF, SMILES, flexibase
2.48,6.78,-62,1,6,-1, 348.382, 3
hi: mol2, SDF, SMILES, flexibase
1.03,5.98,-53.61,1,6,-1, 348.382, 3

Similar to: 23604950, 23604953, 8158922, 8158932, 11366678, ... 6 in total.
73150988
 
#2

Enamine: Z199859754
Mcule: MCULE-7112708350
Mcule Make-on-demand: MCULE-7112708350
ref: mol2, SDF, SMILES, flexibase
2.96,6.47,-20.77,1,4,0, 329.421, 4

Similar to: 15636197, 7944807,
73150611
 
#3

Enamine: Z199745350
Mcule: MCULE-7643000275
Mcule Make-on-demand: MCULE-7643000275
ref: mol2, SDF, SMILES, flexibase
2.77,7.89,-11.33,1,5,0, 320.348, 3

Similar to: 9154600, 15618765,
46986715
 
#4

Enamine: Z542643542
ref: mol2, SDF, SMILES, flexibase
2.04,6.91,-46.95,3,7,1, 372.493, 7
mid: mol2, SDF, SMILES, flexibase
2.04,4.81,-12.46,2,7,0, 371.485, 7
13042007
 
#5

eMolecules: 24165781
Molport: MolPort-005-826-120
Enamine: Z16811857
Mcule: MCULE-9295309716
PubChem: 42899458...8 total

ref: mol2, SDF, SMILES, flexibase
3.91,9.52,-14.74,1,7,0, 468.591, 7

Similar to: 13042008, 13042005, 13042006, 11244648, 11244649, ... 7 in total.
13022068
 
#6

eMolecules: 24132798
Molport: MolPort-005-726-431
Enamine: Z16811842
Mcule: MCULE-1280936534
PubChem: 25675907...7 total

ref: mol2, SDF, SMILES, flexibase
3.90,8.01,-16.37,0,7,0, 443.5, 6
11244681
 
#7

eMolecules: 23981402
Molport: MolPort-005-703-775
Enamine: Z16811810
Mcule: MCULE-5638415113
PubChem: 41887874...8 total

ref: mol2, SDF, SMILES, flexibase
3.72,0.06,-13.66,0,6,0, 437.464, 7

Similar to: 11499743, 11499761, 11534033, 11534036, ... 9 in total.
11244680
 
#8

eMolecules: 23981402
Molport: MolPort-005-703-775
Enamine: Z16811810
Mcule: MCULE-5638415113
PubChem: 41887873...8 total

ref: mol2, SDF, SMILES, flexibase
3.72,0.09,-14.49,0,6,0, 437.464, 7

Similar to: 11534033, 11534036, 10264818, 10605746, 10605747, ... 5 in total.
87505028
 
#9

eMolecules: 45664619
Molport: MolPort-027-662-358
Enamine: Z1391313044
Mcule: MCULE-9795166816
Mcule Make-on-demand: MCULE-9795166816...5 total

ref: mol2, SDF, SMILES, flexibase
2.34,4.9,-10.71,1,3,0, 253.317, 4
87505025
 
#10

eMolecules: 45664619
Molport: MolPort-027-662-358
Enamine: Z1391313044
Mcule: MCULE-9795166816
Mcule Make-on-demand: MCULE-9795166816...5 total

ref: mol2, SDF, SMILES, flexibase
2.34,5.05,-9.25,1,3,0, 253.317, 4
79094792
 
#11

eMolecules: 43670940
Molport: MolPort-023-244-025
Enamine: Z1403380993
Mcule: MCULE-3962729922
Mcule Make-on-demand: MCULE-3962729922...5 total

ref: mol2, SDF, SMILES, flexibase
2.49,9.42,-45.1,2,5,1, 327.452, 3
mid: mol2, SDF, SMILES, flexibase
2.49,6.21,-12.18,1,5,0, 326.444, 3
lo: mol2, SDF, SMILES, flexibase
2.49,9.83,-105.13,3,5,2, 328.46, 3
12997168
 
#12

eMolecules: 18911472
Enamine: Z203188902
Mcule: MCULE-7484694021
Collaborative Drug Discovery: 1263298
PubChem: 42927703...8 total

ref: mol2, SDF, SMILES, flexibase
4.49,9.93,-25.46,1,7,0, 450.322, 5

Similar to: 16422136, 16422137, 12997166,
12997166
 
#13

eMolecules: 18911472
Enamine: Z203188902
Mcule: MCULE-7484694021
Collaborative Drug Discovery: 1263298
PubChem: 42927703...8 total

ref: mol2, SDF, SMILES, flexibase
4.49,9.92,-20.55,1,7,0, 450.322, 5

Similar to: 12997168, 16422136, 16422137,
32859839
 
#14

eMolecules: 24471515
Enamine: Z203188406
Mcule: MCULE-7248180540
PubChem: 42927702, 40093724
Ambinter: Amb8305616...7 total

ref: mol2, SDF, SMILES, flexibase
2.44,7.4,-22.94,2,8,0, 422.485, 6

Similar to: 38407741, 38407742, 42697274, 42697275, ... 4 in total.
32859838
 
#15

eMolecules: 24471515
Enamine: Z203188406
Mcule: MCULE-7248180540
PubChem: 42927702, 40093723
Ambinter: Amb8305616...7 total

ref: mol2, SDF, SMILES, flexibase
2.44,7.39,-20.91,2,8,0, 422.485, 6

Similar to: 38407741, 38407742, 42697274, 42697275, ... 4 in total.
9156623
 
#16

eMolecules: 13430128
Molport: MolPort-009-148-958
Enamine: Z203188248
Mcule: MCULE-8286578847
Collaborative Drug Discovery: 1263297...9 total

ref: mol2, SDF, SMILES, flexibase
3.17,7.2,-24.43,2,8,0, 391.431, 3

Similar to: 9156622,
9156622
 
#17

eMolecules: 13430128
Molport: MolPort-009-148-958
Enamine: Z203188248
Mcule: MCULE-8286578847
Collaborative Drug Discovery: 1263297...9 total

ref: mol2, SDF, SMILES, flexibase
3.17,7.19,-24.82,2,8,0, 391.431, 3

Similar to: 9156623,
8724897
 
#18

eMolecules: 12000043
Molport: MolPort-004-573-926
Enamine: Z203188226
Mcule: MCULE-4547436838
PubChem: 40797798...9 total

ref: mol2, SDF, SMILES, flexibase
2.32,-1.4,-24.74,2,9,0, 438.484, 7

Similar to: 8724896,
77398642
 
#19

Enamine: Z1252759094
ref: mol2, SDF, SMILES, flexibase
3.48,7.91,-12.66,0,4,0, 352.406, 3
77398504
 
#20

Enamine: Z1252758358
ref: mol2, SDF, SMILES, flexibase
3.33,5.52,-13.85,2,5,0, 346.452, 7
77398443
 
#21

Enamine: Z1252758286
ref: mol2, SDF, SMILES, flexibase
2.99,7.58,-12.82,1,5,0, 374.506, 8
77398430
 
#22

Enamine: Z1252758271
ref: mol2, SDF, SMILES, flexibase
3.22,5.32,-10.93,1,5,0, 349.452, 9

Similar to: 27951523, 27951526,
77398368
 
#23

Enamine: Z1252758168
ref: mol2, SDF, SMILES, flexibase
3.22,7.46,-17.63,1,5,0, 372.49, 5
77398197
 
#24

Enamine: Z1252757890
ref: mol2, SDF, SMILES, flexibase
3.28,5.79,-17.49,2,5,0, 360.479, 8
79786481
 
#25

Enamine: Z639750016
57392618
 
#26

eMolecules: 32062334
Enamine: Z750837152
Mcule: MCULE-1392738893
Mcule Make-on-demand: MCULE-1392738893
ref: mol2, SDF, SMILES, flexibase
3.68,10.21,-9.85,1,4,0, 354.494, 4
60539560
 
#27

Enamine: Z785920286
ref: mol2, SDF, SMILES, flexibase
0.99,5.66,-24.77,1,8,0, 329.389, 6
6557316
 
#28

Molport: MolPort-001-888-271
AKOS: AKOS000572633
Asinex: BAS01248505
Enamine: Z785899840
Oakwood Chemical: 056105...15 total

ref: mol2, SDF, SMILES, flexibase
2.81,6.5,-11.24,2,6,0, 345.815, 5
hi: mol2, SDF, SMILES, flexibase
2.81,6.31,-43.68,1,6,-1, 344.807, 5
12752363
 
#29

eMolecules: 16780925
Molport: MolPort-005-753-668
Enamine: Z16811792
Mcule: MCULE-7584797079
PubChem: 42899457...7 total

ref: mol2, SDF, SMILES, flexibase
2.48,6.42,-16.1,2,10,0, 483.518, 9

Similar to: 16684572, 16684574,
12752358
 
#30

eMolecules: 16780925
Molport: MolPort-005-753-668
Enamine: Z16811792
Mcule: MCULE-7584797079
PubChem: 42899457...7 total

ref: mol2, SDF, SMILES, flexibase
2.48,6.41,-16.11,2,10,0, 483.518, 9

Similar to: 16684572, 16684574,
11244653
 
#31

eMolecules: 24112659
Molport: MolPort-005-723-973
AKOS: AKOS007940403
Enamine: Z16811744
Mcule: MCULE-1341200603...12 total

ref: mol2, SDF, SMILES, flexibase
3.66,9.89,-15.17,1,7,0, 454.564, 7

Similar to: 13042005, 13042006, 13042007, 13042008, ... 4 in total.
11244651
 
#32

eMolecules: 24112659
Molport: MolPort-005-723-973
AKOS: AKOS007940403
Enamine: Z16811744
Mcule: MCULE-1341200603...12 total

ref: mol2, SDF, SMILES, flexibase
3.66,9.5,-15.68,1,7,0, 454.564, 7

Similar to: 13042005, 13042006, 13042007, 13042008, ... 4 in total.
11244649
 
#33

eMolecules: 24112659
Molport: MolPort-005-723-973
AKOS: AKOS007940403
Enamine: Z16811744
Mcule: MCULE-1341200603...12 total

ref: mol2, SDF, SMILES, flexibase
3.66,9.48,-14.81,1,7,0, 454.564, 7

Similar to: 13042005, 13042006, 13042007, 13042008, ... 4 in total.
8724896
 
#34

eMolecules: 12000043
Molport: MolPort-004-573-926
Enamine: Z203188226
Mcule: MCULE-4547436838
PubChem: 40797797...9 total

ref: mol2, SDF, SMILES, flexibase
2.32,-1.41,-24.4,2,9,0, 438.484, 7

Similar to: 8724897,
12784563
 
#35

eMolecules: 17173922
Molport: MolPort-005-679-391
Enamine: Z203187506
Collaborative Drug Discovery: 1263296
PubChem: 24236403...7 total

ref: mol2, SDF, SMILES, flexibase
3.36,9.14,-19.92,1,8,0, 451.523, 7
11244648
 
#36

eMolecules: 24112659
Molport: MolPort-005-723-973
AKOS: AKOS007940403
Enamine: Z16811744
Mcule: MCULE-1341200603...12 total

ref: mol2, SDF, SMILES, flexibase
3.66,9.88,-14.36,1,7,0, 454.564, 7

Similar to: 13042005, 13042006, 13042007, 13042008, ... 4 in total.
8849835
 
#37

eMolecules: 11992551
Molport: MolPort-004-571-939
Enamine: Z16811706
Mcule: MCULE-4658669355
UORSY: PB16889174...10 total

ref: mol2, SDF, SMILES, flexibase
2.04,-5,-24.14,3,9,0, 477.514, 8

Similar to: 8849832,
8849832
 
#38

eMolecules: 11992551
Molport: MolPort-004-571-939
Enamine: Z16811706
Mcule: MCULE-4658669355
UORSY: PB16889174...10 total

ref: mol2, SDF, SMILES, flexibase
2.04,-4.94,-20.65,3,9,0, 477.514, 8

Similar to: 8849835,
11244558
 
#39

eMolecules: 18889393
Molport: MolPort-005-733-241
Enamine: Z16811698
Mcule: MCULE-4967922074
PubChem: 42899456...8 total

ref: mol2, SDF, SMILES, flexibase
2.78,-1.01,-19.69,0,9,0, 498.573, 9

Similar to: 22074667, 22074669, 25361762, 25361770, 26485197, ... 10 in total.
73141923
 
#40

Enamine: Z199615674
Mcule: MCULE-9733807460
Mcule Make-on-demand: MCULE-9733807460
ref: mol2, SDF, SMILES, flexibase
2.73,8.35,-10.79,1,4,0, 273.295, 3

Similar to: 9690802,
11244557
 
#41

eMolecules: 18889393
Molport: MolPort-005-733-241
Enamine: Z16811698
Mcule: MCULE-4967922074
PubChem: 42899456...8 total

ref: mol2, SDF, SMILES, flexibase
2.78,-0.96,-19,0,9,0, 498.573, 9

Similar to: 22074667, 22074669, 25361770,
79094782
 
#42

eMolecules: 43670936
Molport: MolPort-023-244-023
Enamine: Z1403379013
Mcule: MCULE-6570813261
Mcule Make-on-demand: MCULE-6570813261...5 total

ref: mol2, SDF, SMILES, flexibase
0.11,3.37,-56.41,5,7,1, 288.331, 3
mid: mol2, SDF, SMILES, flexibase
0.11,0.37,-22.9,4,7,0, 287.323, 3
lo: mol2, SDF, SMILES, flexibase
0.11,3.8,-114.96,6,7,2, 289.339, 3
84144647
 
#43

eMolecules: 44591064
Molport: MolPort-027-684-293
Enamine: Z1436038021
Mcule: MCULE-4655266594
Mcule Make-on-demand: MCULE-4655266594...5 total

ref: mol2, SDF, SMILES, flexibase
2.36,9.08,-20.21,1,6,0, 408.498, 7
84144644
 
#44

eMolecules: 44591064
Molport: MolPort-027-684-293
Enamine: Z1436038021
Mcule: MCULE-4655266594
Mcule Make-on-demand: MCULE-4655266594...5 total

ref: mol2, SDF, SMILES, flexibase
2.36,8.94,-17.8,1,6,0, 408.498, 7
84144642
 
#45

eMolecules: 44591064
Molport: MolPort-027-684-293
Enamine: Z1436038021
Mcule: MCULE-4655266594
Mcule Make-on-demand: MCULE-4655266594...5 total

ref: mol2, SDF, SMILES, flexibase
2.36,9.41,-20.4,1,6,0, 408.498, 7
84144636
 
#46

eMolecules: 44591064
Molport: MolPort-027-684-293
Enamine: Z1436038021
Mcule: MCULE-4655266594
Mcule Make-on-demand: MCULE-4655266594...5 total

ref: mol2, SDF, SMILES, flexibase
2.36,8.79,-16.28,1,6,0, 408.498, 7
60018685
 
#47

eMolecules: 42957312
Molport: MolPort-010-221-848
Enamine: Z812238592
Mcule: MCULE-7952197739
PubChem: 52742887...7 total

ref: mol2, SDF, SMILES, flexibase
4.07,11.1,-19.18,0,5,0, 431.33, 4
60018683
 
#48

eMolecules: 42957312
Molport: MolPort-010-221-848
Enamine: Z812238592
Mcule: MCULE-7952197739
PubChem: 52742886...7 total

ref: mol2, SDF, SMILES, flexibase
4.07,11.13,-16.67,0,5,0, 431.33, 4
63838789
 
#49

eMolecules: 44551486
Molport: MolPort-027-698-740
Enamine: Z846823678
Mcule: MCULE-5381983165
Mcule Make-on-demand: MCULE-5381983165...5 total

ref: mol2, SDF, SMILES, flexibase
2.06,6.3,-13.07,2,7,0, 339.399, 3
45604157
 
#50

eMolecules: 44491262
Molport: MolPort-027-642-515
Enamine: Z52402399
Mcule: MCULE-2759620483
PubChem: 51177482...6 total

ref: mol2, SDF, SMILES, flexibase
1.76,6.34,-10.06,1,5,0, 283.331, 3
33204319
 
#51

eMolecules: 44527150
Molport: MolPort-027-675-600
Enamine: Z365012552
Mcule: MCULE-3783793672
Mcule Make-on-demand: MCULE-3783793672...5 total

ref: mol2, SDF, SMILES, flexibase
3.64,9.65,-11.43,1,5,0, 369.49, 5
33204318
 
#52

eMolecules: 44527150
Molport: MolPort-027-675-600
Enamine: Z365012552
Mcule: MCULE-3783793672
Mcule Make-on-demand: MCULE-3783793672...5 total

ref: mol2, SDF, SMILES, flexibase
3.64,9.65,-10.84,1,5,0, 369.49, 5
60100844
 
#53

eMolecules: 42958268
Molport: MolPort-010-400-692
Enamine: Z851170692
Mcule: MCULE-8059527938
PubChem: 52763827...7 total

ref: mol2, SDF, SMILES, flexibase
2.92,8.32,-15.81,0,7,0, 454.493, 8
lo: mol2, SDF, SMILES, flexibase
2.92,10.53,-59.8,1,7,1, 455.501, 8
84144620
 
#54

eMolecules: 44527006
Molport: MolPort-027-675-531
Enamine: Z363760514
Mcule: MCULE-8523040895
Mcule Make-on-demand: MCULE-8523040895...5 total

ref: mol2, SDF, SMILES, flexibase
3.34,10.43,-11.51,0,5,0, 341.455, 5
84144618
 
#55

eMolecules: 44523462
Molport: MolPort-027-673-865
Enamine: Z280811892
Mcule: MCULE-8013307776
Mcule Make-on-demand: MCULE-8013307776...5 total

ref: mol2, SDF, SMILES, flexibase
3.05,10.02,-9.41,0,5,0, 327.428, 4
84144616
 
#56

eMolecules: 44523462
Molport: MolPort-027-673-865
Enamine: Z280811892
Mcule: MCULE-8013307776
Mcule Make-on-demand: MCULE-8013307776...5 total

ref: mol2, SDF, SMILES, flexibase
3.05,9.94,-9.32,0,5,0, 327.428, 4
17420140
 
#57

eMolecules: 45626302
Molport: MolPort-027-688-389
Enamine: Z91245175
Mcule: MCULE-7513556590
Mcule Make-on-demand: MCULE-7513556590...5 total

ref: mol2, SDF, SMILES, flexibase
3.58,6.71,-11.41,2,6,0, 337.379, 2

Similar to: 43908836, 43933773, 43933807,
50951499
 
#58

Enamine: Z639750016
ref: mol2, SDF, SMILES, flexibase
4.23,7.15,-45.02,1,5,-1, 347.803, 4
hi: mol2, SDF, SMILES, flexibase
4.42,5.6,-119.27,0,5,-2, 346.795, 4
lo: mol2, SDF, SMILES, flexibase
3.20,8.41,-17.12,1,5,0, 348.811, 5
84144596
 
#59

eMolecules: 44585098
Molport: MolPort-027-681-327
Enamine: Z1411035518
Mcule: MCULE-6636630452
Mcule Make-on-demand: MCULE-6636630452...5 total

ref: mol2, SDF, SMILES, flexibase
2.20,9.81,-12.64,0,5,0, 272.283, 4
84144593
 
#60

eMolecules: 44586264
Molport: MolPort-027-681-906
Enamine: Z1416559431
Mcule: MCULE-9629495495
Mcule Make-on-demand: MCULE-9629495495...5 total

ref: mol2, SDF, SMILES, flexibase
3.12,6.38,-13.23,0,5,0, 313.81, 3
84144591
 
#61

eMolecules: 44586862
Molport: MolPort-027-682-201
Enamine: Z1419272266
Mcule: MCULE-2808908678
Mcule Make-on-demand: MCULE-2808908678...5 total

ref: mol2, SDF, SMILES, flexibase
4.47,8.72,-10.24,0,6,0, 399.266, 4
53669636
 
#62

eMolecules: 37008843
Molport: MolPort-020-065-337
Enamine: Z805646958
Mcule: MCULE-4171161042
PubChem: 56798641...7 total

ref: mol2, SDF, SMILES, flexibase
3.40,7.87,-57.83,0,7,-1, 376.41, 4

Similar to: 55674715, 55675503,
54273544
 
#63

eMolecules: 44498386
Molport: MolPort-027-647-284
Enamine: Z729600060
Mcule: MCULE-5306008896
Mcule Make-on-demand: MCULE-5306008896...5 total

ref: mol2, SDF, SMILES, flexibase
2.94,10.54,-22.53,1,5,0, 339.439, 5
12686551
 
#64

eMolecules: 11722041
Molport: MolPort-005-814-398
Enamine: Z16815146
Mcule: MCULE-1815594479
ChEMBL19: CHEMBL1902500...9 total

ref: mol2, SDF, SMILES, flexibase
1.80,7.89,-21.67,1,9,0, 491.541, 8
84144582
 
#65

eMolecules: 44581556
Molport: MolPort-027-679-572
Enamine: Z1376012584
Mcule: MCULE-3544160519
Mcule Make-on-demand: MCULE-3544160519...5 total

ref: mol2, SDF, SMILES, flexibase
2.32,7.44,-15.26,2,5,0, 343.402, 5
lo: mol2, SDF, SMILES, flexibase
2.32,7.6,-45.72,3,5,1, 344.41, 5
84144579
 
#66

eMolecules: 44590282
Molport: MolPort-027-683-903
Enamine: Z1431806013
Mcule: MCULE-3408782345
Mcule Make-on-demand: MCULE-3408782345...5 total

ref: mol2, SDF, SMILES, flexibase
3.50,2.46,-43.16,0,5,-1, 374.211, 4
lo: mol2, SDF, SMILES, flexibase
3.50,2.07,-8.3,1,5,0, 375.219, 4
84144576
 
#67

eMolecules: 44592634
Molport: MolPort-027-685-076
Enamine: Z1459895858
Mcule: MCULE-7731264473
Mcule Make-on-demand: MCULE-7731264473...5 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.46,-10.6,2,4,0, 287.356, 4
84144573
 
#68

eMolecules: 44592634
Molport: MolPort-027-685-076
Enamine: Z1459895858
Mcule: MCULE-7731264473
Mcule Make-on-demand: MCULE-7731264473...5 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.24,-10.07,2,4,0, 287.356, 4
79094777
 
#69

eMolecules: 43670936
Molport: MolPort-023-244-023
Enamine: Z1403379013
Mcule: MCULE-6570813261
Mcule Make-on-demand: MCULE-6570813261...5 total

ref: mol2, SDF, SMILES, flexibase
0.11,3.37,-56.37,5,7,1, 288.331, 3
mid: mol2, SDF, SMILES, flexibase
0.11,0.37,-22.87,4,7,0, 287.323, 3
lo: mol2, SDF, SMILES, flexibase
0.11,3.78,-114.95,6,7,2, 289.339, 3
79094772
 
#70

eMolecules: 43670934
Molport: MolPort-023-244-022
Enamine: Z1403378532
Mcule: MCULE-2356313667
Mcule Make-on-demand: MCULE-2356313667...5 total

ref: mol2, SDF, SMILES, flexibase
3.05,9.99,-51.65,3,5,1, 361.469, 6
mid: mol2, SDF, SMILES, flexibase
3.05,6.94,-15.64,2,5,0, 360.461, 6
lo: mol2, SDF, SMILES, flexibase
3.05,10.4,-108.87,4,5,2, 362.477, 6
84144558
 
#71

eMolecules: 44592634
Molport: MolPort-027-685-076
Enamine: Z1459895858
Mcule: MCULE-7731264473
Mcule Make-on-demand: MCULE-7731264473...5 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.26,-11.27,2,4,0, 287.356, 4
84144557
 
#72

eMolecules: 44592634
Molport: MolPort-027-685-076
Enamine: Z1459895858
Mcule: MCULE-7731264473
Mcule Make-on-demand: MCULE-7731264473...5 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.46,-11.23,2,4,0, 287.356, 4
84144555
 
#73

eMolecules: 44592226
Molport: MolPort-027-684-873
Enamine: Z1453504767
Mcule: MCULE-8932643494
Mcule Make-on-demand: MCULE-8932643494...5 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.44,-10.67,1,4,0, 268.313, 3
hi: mol2, SDF, SMILES, flexibase
2.06,3.41,-46.07,0,4,-1, 267.305, 3
84144553
 
#74

eMolecules: 44591560
Molport: MolPort-027-684-540
Enamine: Z1450945872
Mcule: MCULE-9314993863
Mcule Make-on-demand: MCULE-9314993863...5 total

ref: mol2, SDF, SMILES, flexibase
2.60,3.13,-43.14,2,5,-1, 314.749, 3
mid: mol2, SDF, SMILES, flexibase
2.60,3.02,-7.87,3,5,0, 315.757, 3
57115947
 
#75

eMolecules: 37009565
Molport: MolPort-020-065-898
Enamine: Z815598780
Mcule: MCULE-5976954558
PubChem: 56798933...7 total

ref: mol2, SDF, SMILES, flexibase
2.87,5.46,-53.28,1,7,-1, 366.346, 4
mid: mol2, SDF, SMILES, flexibase
2.87,5.62,-117.15,0,7,-2, 365.338, 4
84144547
 
#76

eMolecules: 44594498
Molport: MolPort-027-686-003
Enamine: Z1483800818
Mcule: MCULE-9372826056
Mcule Make-on-demand: MCULE-9372826056...5 total

ref: mol2, SDF, SMILES, flexibase
2.46,5.61,-8.12,1,4,0, 266.345, 4
12784567
 
#77

eMolecules: 17173922
Molport: MolPort-005-679-391
Enamine: Z203187506
Collaborative Drug Discovery: 1263296
PubChem: 24236403...7 total

ref: mol2, SDF, SMILES, flexibase
3.36,9.15,-19.57,1,8,0, 451.523, 7
12760148
 
#78

eMolecules: 45604661
Molport: MolPort-005-675-602
Enamine: Z203187504
Mcule: MCULE-5487318785
Collaborative Drug Discovery: 1263295...9 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.22,-20,1,8,0, 451.523, 6
79120326
 
#79

Enamine: Z446802982
ref: mol2, SDF, SMILES, flexibase
3.35,6.54,-7.52,1,4,0, 254.374, 1
12760142
 
#80

eMolecules: 45604661
Molport: MolPort-005-675-602
Enamine: Z203187504
Mcule: MCULE-5487318785
Collaborative Drug Discovery: 1263295...9 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.24,-22.59,1,8,0, 451.523, 6
13099459
 
#81

eMolecules: 24478439
Enamine: Z203187374
Mcule: MCULE-6226737221
PubChem: 25710303, 42927701
Ambinter: Amb8308986...7 total

ref: mol2, SDF, SMILES, flexibase
3.06,1.2,-25.9,1,8,0, 437.496, 7

Similar to: 13099458,
79779444
 
#82

eMolecules: 45660711
Molport: MolPort-027-660-822
Enamine: Z1355568743
Mcule: MCULE-8601711626
Mcule Make-on-demand: MCULE-8601711626...5 total

ref: mol2, SDF, SMILES, flexibase
1.83,5.13,-20.94,2,7,0, 311.095, 3
77396776
 
#83

Enamine: Z1098984571
ref: mol2, SDF, SMILES, flexibase
2.82,6.27,-21.38,2,7,0, 352.346, 3
77396629
 
#84

Enamine: Z1252755921
ref: mol2, SDF, SMILES, flexibase
3.72,5.62,-10.16,1,5,0, 369.527, 9
13099458
 
#85

eMolecules: 24478439
Enamine: Z203187374
Mcule: MCULE-6226737221
PubChem: 25710302, 42927701
Ambinter: Amb8308986...7 total

ref: mol2, SDF, SMILES, flexibase
3.06,1.21,-21.33,1,8,0, 437.496, 7

Similar to: 13099459,
13099451
 
#86

eMolecules: 13505235
Molport: MolPort-005-582-602
Enamine: Z203187186
Mcule: MCULE-2253201581
Collaborative Drug Discovery: 1263294...9 total

ref: mol2, SDF, SMILES, flexibase
1.93,-1.44,-18.4,1,8,0, 382.42, 4

Similar to: 13099450,
75572711
 
#87

Molport: MolPort-023-136-773
Enamine: Z750952318
Mcule: MCULE-2956407695
Ambinter: Amb20629059
Mcule Make-on-demand: MCULE-2956407695...5 total

ref: mol2, SDF, SMILES, flexibase
1.46,3.67,-10.41,1,6,0, 334.807, 4
lo: mol2, SDF, SMILES, flexibase
1.46,5.97,-41.03,2,6,1, 335.815, 4
13099450
 
#88

eMolecules: 13505235
Molport: MolPort-005-582-602
Enamine: Z203187186
Mcule: MCULE-2253201581
Collaborative Drug Discovery: 1263294...9 total

ref: mol2, SDF, SMILES, flexibase
1.93,-1.45,-22.65,1,8,0, 382.42, 4

Similar to: 13099451,
12897236
 
#89

eMolecules: 24119523
Enamine: Z203186906
Mcule: MCULE-1274052306
PubChem: 25585864, 42889593
Ambinter: Amb8245339...7 total

ref: mol2, SDF, SMILES, flexibase
4.63,10.89,-23.74,1,6,0, 407.514, 6

Similar to: 12897230,
12897230
 
#90

eMolecules: 24119523
Enamine: Z203186906
Mcule: MCULE-1274052306
PubChem: 25585860, 42889593
Ambinter: Amb8245339...7 total

ref: mol2, SDF, SMILES, flexibase
4.63,10.86,-18.88,1,6,0, 407.514, 6

Similar to: 12897236,
12920399
 
#91

eMolecules: 24111649
Enamine: Z203186902
Mcule: MCULE-7459812543
Collaborative Drug Discovery: 1263293
PubChem: 42927700...8 total

ref: mol2, SDF, SMILES, flexibase
3.54,8.49,-22.37,1,6,0, 403.841, 3

Similar to: 12920394,
89227303
 
#92

Enamine: Z1531314161
ref: mol2, SDF, SMILES, flexibase
1.78,9.69,-11.51,0,7,0, 362.389, 4
89227301
 
#93

Enamine: Z1531314161
ref: mol2, SDF, SMILES, flexibase
1.78,9.58,-11.38,0,7,0, 362.389, 4
79094768
 
#94

eMolecules: 43670932
Molport: MolPort-023-244-021
Enamine: Z1403377055
Mcule: MCULE-9094072472
Mcule Make-on-demand: MCULE-9094072472...5 total

ref: mol2, SDF, SMILES, flexibase
1.49,3.94,-16.95,0,7,0, 335.433, 7
mid: mol2, SDF, SMILES, flexibase
1.49,6.3,-57.56,1,7,1, 336.441, 7
50679398
 
#95

Enamine: Z638783502
79774353
 
#96

eMolecules: 36274722
Enamine: Z638779218
Mcule Make-on-demand: MCULE-4980041441
79774279
 
#97

eMolecules: 32024813
Enamine: Z638687310
Mcule Make-on-demand: MCULE-4526106983
9124955
 
#98

eMolecules: 2876718
Molport: MolPort-004-119-836
Enamine: Z16843521
Mcule: MCULE-2294932807
ChemDB: 7789475...9 total

ref: mol2, SDF, SMILES, flexibase
3.59,3.57,-31.38,1,8,0, 461.518, 7

Similar to: 9124956, 9812597, 20974104, 20974109, 21105307, ... 6 in total.
50678812
 
#99

Enamine: Z638779218
ref: mol2, SDF, SMILES, flexibase
3.47,7.53,-44.38,1,6,-1, 339.371, 4
mid: mol2, SDF, SMILES, flexibase
2.89,8.41,-19.2,1,6,0, 340.379, 5
49486317
 
#100

Enamine: Z638687310
ref: mol2, SDF, SMILES, flexibase
2.23,7.76,-41.33,1,6,-1, 347.35, 6
mid: mol2, SDF, SMILES, flexibase
2.38,8.76,-18.56,1,6,0, 348.358, 6

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 = 125 ) limit 0,100

Smiles were