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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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4358727
 
#1

eMolecules: 1680317
Molport: MolPort-001-619-554
Scientific Exchange (make on demand): POD_56/0957
AKOS: AKOS001710171
Alinda: IBS-L0125086...18 total

ref: mol2, SDF, SMILES, flexibase
4.13,-0.07,-8.29,1,3,0, 298.43, 3
2354797
 
#2

eMolecules: 2123032
Molport: MolPort-002-182-437
Scientific Exchange (make on demand): POD_56/0955
AKOS: AKOS000342512
BioBlocks: A0744/0034748...21 total

ref: mol2, SDF, SMILES, flexibase
2.88,-2.02,-5.72,2,4,0, 323.179, 4

Similar to: 41193478, 41410421, 41458481, 41458579, 60663124, ... 8 in total.
3085166
 
#3

eMolecules: 6735763
Molport: MolPort-002-691-332
Scientific Exchange (make on demand): POD_56/0931
AKOS: AKOS001711570
BioBlocks: A0744/0034745...16 total

ref: mol2, SDF, SMILES, flexibase
5.71,11.5,-11.21,2,6,0, 429.52, 10

Similar to: 5914652, 5914713, 5914918, 5915543, 5916379, ... 9 in total.
50433
 
#4

eMolecules: 6735761
Molport: MolPort-002-691-331
Scientific Exchange (make on demand): POD_56/0926
AKOS: AKOS001711569
BioBlocks: A0744/0034744...14 total

ref: mol2, SDF, SMILES, flexibase
1.25,1.28,-11.03,1,6,0, 267.281, 7

Similar to: 8416712, 25916915,
2906187
 
#5

eMolecules: 1284221
Molport: MolPort-001-948-902
Scientific Exchange (make on demand): POD_56/0921
AKOS: AKOS000341332
Asinex: BAS00853573...25 total

ref: mol2, SDF, SMILES, flexibase
0.70,3.09,-7.78,2,5,0, 276.336, 6
2906188
 
#6

eMolecules: 1284221
Molport: MolPort-001-948-902
Scientific Exchange (make on demand): POD_56/0921
AKOS: AKOS000341332
Asinex: BAS00853573...25 total

ref: mol2, SDF, SMILES, flexibase
0.70,3.06,-7.83,2,5,0, 276.336, 6
50432
 
#7

eMolecules: 1383205
Molport: MolPort-001-015-199
Scientific Exchange (make on demand): POD_56/0865
AKOS: AKOS000626804
Alinda: IBS-L0043293...23 total

ref: mol2, SDF, SMILES, flexibase
3.66,0.53,-16.22,1,4,0, 290.75, 5

Similar to: 26087868, 26087923, 26087928, 33588041, ... 4 in total.
3085160
 
#8

eMolecules: 6735757
Molport: MolPort-002-691-329
Scientific Exchange (make on demand): POD_56/0828
AKOS: AKOS001711292
BioBlocks: A0744/0034728...15 total

ref: mol2, SDF, SMILES, flexibase
3.71,-1.65,-12.7,2,5,0, 364.232, 5

Similar to: 6468062, 6645985, 6645986, 34877582, 35741458, ... 6 in total.
3085158
 
#9

eMolecules: 6735757
Molport: MolPort-002-691-329
Scientific Exchange (make on demand): POD_56/0828
AKOS: AKOS001711292
BioBlocks: A0744/0034728...15 total

ref: mol2, SDF, SMILES, flexibase
3.71,-1.65,-12.72,2,5,0, 364.232, 5

Similar to: 6468062, 6645985, 6645986, 34877582, 35741458, ... 6 in total.
3085155
 
#10

eMolecules: 6735753
Molport: MolPort-002-691-327
Scientific Exchange (make on demand): POD_56/0771
AKOS: AKOS001711198
BioBlocks: A0744/0034722...13 total

ref: mol2, SDF, SMILES, flexibase
5.10,7.91,-23.08,3,6,0, 454.324, 7
hi: mol2, SDF, SMILES, flexibase
5.10,8.68,-70.48,2,6,-1, 453.316, 7
lo: mol2, SDF, SMILES, flexibase
5.10,8.21,-24.09,4,6,0, 455.332, 7
3085154
 
#11

eMolecules: 6735751
Molport: MolPort-002-691-326
Scientific Exchange (make on demand): POD_56/0766
AKOS: AKOS000344427
BioBlocks: A0744/0034721...16 total

ref: mol2, SDF, SMILES, flexibase
2.67,-0.25,-5.62,2,4,0, 290.407, 7

Similar to: 9914009,
3008849
 
#12

eMolecules: 6735749
Molport: MolPort-019-736-348, MolPort-002-691-325
Scientific Exchange (make on demand): POD_56/0761
AKOS: AKOS001711107
BioBlocks: A0744/0034720...16 total

ref: mol2, SDF, SMILES, flexibase
3.57,-0.82,-13.79,2,5,0, 354.168, 4

Similar to: 33793776, 34848072,
224257
 
#13

eMolecules: 27031197
Molport: MolPort-007-575-655
AKOS: AKOS001711021
ChemDiv: 8004-4713
Mcule: MCULE-3845265873...7 total

ref: mol2, SDF, SMILES, flexibase
4.50,-2,-7.29,2,3,0, 320.186, 2
3085150
 
#14

eMolecules: 27031193
Molport: MolPort-002-691-321
AKOS: AKOS001710935
BioBlocks: A0743/0034710
ChemDiv: 8004-4710...14 total

ref: mol2, SDF, SMILES, flexibase
2.39,-1.07,-17.51,2,7,0, 359.357, 7
1445066
 
#15

eMolecules: 27031191
Molport: MolPort-002-691-320
AKOS: AKOS001710839
BioBlocks: A0743/0034708
ChemDiv: 8004-4708...12 total

ref: mol2, SDF, SMILES, flexibase
4.57,2,-7.19,3,4,0, 401.054, 2
mid: mol2, SDF, SMILES, flexibase
4.57,3.55,-109.69,1,4,-2, 399.038, 2
mid: mol2, SDF, SMILES, flexibase
4.57,2.77,-40.3,2,4,-1, 400.046, 2
lo: mol2, SDF, SMILES, flexibase
4.57,2.51,-34.06,4,4,1, 402.062, 2
59994
 
#16

eMolecules: 27031189
Molport: MolPort-002-691-319
AKOS: AKOS001710838
BioBlocks: A0743/0034707
ChemDiv: 8004-4707...15 total

ref: mol2, SDF, SMILES, flexibase
4.73,4.62,-5.93,2,3,0, 340.604, 2
mid: mol2, SDF, SMILES, flexibase
4.73,5.39,-39.3,1,3,-1, 339.596, 2
lo: mol2, SDF, SMILES, flexibase
4.73,5.12,-32.13,3,3,1, 341.612, 2
lo: mol2, SDF, SMILES, flexibase
4.73,5.89,-29.4,2,3,0, 340.604, 2
224251
 
#17

eMolecules: 27031187
Molport: MolPort-002-691-318
AKOS: AKOS001710740
BioBlocks: A0743/0034706
ChemDiv: 8004-4706...12 total

ref: mol2, SDF, SMILES, flexibase
3.91,-2.06,-7.53,2,4,0, 336.185, 3

Similar to: 6440238, 6449786,
59992
 
#18

eMolecules: 27031185
Molport: MolPort-002-691-317
AKOS: AKOS001710739
BioBlocks: A0743/0034705
ChemDiv: 8004-4705...15 total

ref: mol2, SDF, SMILES, flexibase
4.60,4.5,-6.03,2,3,0, 296.153, 2
mid: mol2, SDF, SMILES, flexibase
4.60,5.27,-40.14,1,3,-1, 295.145, 2
lo: mol2, SDF, SMILES, flexibase
4.60,5.01,-32.13,3,3,1, 297.161, 2
lo: mol2, SDF, SMILES, flexibase
4.60,5.78,-29.44,2,3,0, 296.153, 2
3090387
 
#19

eMolecules: 6735727
Molport: MolPort-002-691-312
AKOS: AKOS001710547
BioBlocks: A0743/0034696
ChemDiv: 8004-4696...12 total

ref: mol2, SDF, SMILES, flexibase
2.72,2.24,-14.79,3,7,0, 445.067, 5
1880745
 
#20

eMolecules: 448723
Molport: MolPort-001-811-916
AKOS: AKOS001710361
Aldrich CPR: S903388|ALDRICH
BioBlocks: A0743/0034691...14 total

ref: mol2, SDF, SMILES, flexibase
2.82,-3.96,-13.78,3,6,0, 331.759, 5
48334
 
#21

eMolecules: 26589825
Molport: MolPort-002-691-308
AKOS: AKOS001710360
BioBlocks: A0743/0034690
ChemDiv: 8004-4690...15 total

ref: mol2, SDF, SMILES, flexibase
4.81,8.15,-5.96,0,2,0, 280.154, 3
13126906
 
#22

eMolecules: 27031165
Molport: MolPort-002-691-303
AK Scientific: HTS007849
AKOS: AKOS001710169
BioBlocks: A0743/0034684...22 total

ref: mol2, SDF, SMILES, flexibase
4.73,5.78,-6.93,1,3,0, 296.153, 3
hi: mol2, SDF, SMILES, flexibase
4.73,6.55,-40.75,0,3,-1, 295.145, 3
lo: mol2, SDF, SMILES, flexibase
4.73,6.26,-35.93,2,3,1, 297.161, 3

Similar to: 5288415,
1921974
 
#23

eMolecules: 5431203
Molport: MolPort-002-691-302
AKOS: AKOS001711568
BioBlocks: A0743/0034683
ChemDiv: 8004-4683...17 total

ref: mol2, SDF, SMILES, flexibase
1.46,-1.86,-14.78,2,6,0, 271.276, 5

Similar to: 33692998,
3085139
 
#24

eMolecules: 6735717
Molport: MolPort-002-691-300
AKOS: AKOS001711472
BioBlocks: A0743/0034681
ChemDiv: 8004-4681...14 total

ref: mol2, SDF, SMILES, flexibase
2.34,-1.39,-14.35,2,5,0, 299.305, 5

Similar to: 3661664, 4209954, 4283172, 4287573, 4292922, ... 7 in total.
4411945
 
#25

eMolecules: 26808984
Molport: MolPort-002-691-299
AKOS: AKOS001711471
BioBlocks: A0743/0034680
ChemDiv: 8004-4680...16 total

ref: mol2, SDF, SMILES, flexibase
2.52,-0.84,-16.45,2,7,0, 381.432, 8

Similar to: 13132536, 33684428, 33684429, 33684430, ... 6 in total.
1445064
 
#26

eMolecules: 27031161
Molport: MolPort-002-691-297
AKOS: AKOS001711290
BioBlocks: A0743/0034678
ChemDiv: 8004-4678...15 total

ref: mol2, SDF, SMILES, flexibase
4.44,-0.8,-8.08,1,4,0, 370.63, 4
1433903
 
#27

eMolecules: 27031159
Molport: MolPort-002-691-293
AKOS: AKOS001711020
BioBlocks: A0743/0034673
ChemDiv: 8004-4673...15 total

ref: mol2, SDF, SMILES, flexibase
5.03,-0.74,-8.95,1,3,0, 354.631, 3
1433901
 
#28

eMolecules: 27031153
Molport: MolPort-002-691-289
AKOS: AKOS001710837
BioBlocks: A0742/0034667
ChemDiv: 8004-4667...15 total

ref: mol2, SDF, SMILES, flexibase
5.26,6.43,-6.78,1,3,0, 375.049, 3
12343126
 
#29

eMolecules: 25846610
Molport: MolPort-002-138-111
AKOS: AKOS001710836
BioBlocks: A0742/0034666
ChemBridge: 5230695...18 total

ref: mol2, SDF, SMILES, flexibase
0.84,-3.22,-17.36,4,8,0, 370.409, 7

Similar to: 4817487,
1433897
 
#30

eMolecules: 27031147
Molport: MolPort-002-691-287
AKOS: AKOS001710638
BioBlocks: A0742/0034660
ChemDiv: 8004-4660...16 total

ref: mol2, SDF, SMILES, flexibase
6.21,6.57,-10.67,1,5,0, 413.26, 4
3085126
 
#31

eMolecules: 27031135
Molport: MolPort-002-691-282
AKOS: AKOS001710358
BioBlocks: A0742/0034653
ChemDiv: 8004-4653...14 total

ref: mol2, SDF, SMILES, flexibase
4.12,-1.53,-15.19,2,6,0, 415.493, 9

Similar to: 38201099,
1433891
 
#32

eMolecules: 27031131
Molport: MolPort-002-691-281
AKOS: AKOS001710259
BioBlocks: A0742/0034650
ChemDiv: 8004-4650...16 total

ref: mol2, SDF, SMILES, flexibase
5.92,7.34,-12.04,1,4,0, 440.24, 3

Similar to: 34132436,
3090375
 
#33

eMolecules: 27031129
Molport: MolPort-002-691-280
AKOS: AKOS001710168
BioBlocks: A0742/0034649
ChemDiv: 8004-4649...15 total

ref: mol2, SDF, SMILES, flexibase
3.40,-2.76,-15.02,2,6,0, 404.264, 7

Similar to: 4287069, 4354168, 6351582, 6351586, 33719125, ... 25 in total.
3085121
 
#34

eMolecules: 6735677
Molport: MolPort-002-691-279
AKOS: AKOS001710167
BioBlocks: A0742/0034648
ChemDiv: 8004-4648...14 total

ref: mol2, SDF, SMILES, flexibase
1.97,-2.61,-17.06,3,9,0, 401.419, 8

Similar to: 10002237,
2675693
 
#35

eMolecules: 6735675
Molport: MolPort-002-691-278
AKOS: AKOS001711566
BioBlocks: A0742/0034647
ChemDiv: 8004-4647...15 total

ref: mol2, SDF, SMILES, flexibase
3.42,-2.47,-14.26,2,5,0, 374.238, 5

Similar to: 4292998, 4330500, 1946469,
1054224
 
#36

eMolecules: 26813263
Molport: MolPort-002-691-271
AKOS: AKOS001711287
BioBlocks: A0742/0034640
ChemDiv: 8004-4640...17 total

ref: mol2, SDF, SMILES, flexibase
5.85,7.66,-7.78,1,2,0, 379.468, 2
mid: mol2, SDF, SMILES, flexibase
5.85,7.2,-29.39,0,2,-1, 378.46, 2
mid: mol2, SDF, SMILES, flexibase
5.85,8.43,-39,0,2,-1, 378.46, 2
3085110
 
#37

eMolecules: 26717101
Molport: MolPort-002-691-269
AKOS: AKOS001711195
Aldrich CPR: R535524|ALDRICH
American Custom Chemicals Corp.: HCH0126697...17 total

ref: mol2, SDF, SMILES, flexibase
5.99,7.75,-7.67,1,2,0, 423.919, 2
mid: mol2, SDF, SMILES, flexibase
5.99,8.52,-38.92,0,2,-1, 422.911, 2
mid: mol2, SDF, SMILES, flexibase
5.99,7.32,-29.43,0,2,-1, 422.911, 2

Similar to: 3180531,
59982
 
#38

eMolecules: 2352622
Molport: MolPort-000-996-843
Scientific Exchange (make on demand): Z-040797
AKOS: AKOS000290776
BioBlocks: A0742/0034634...18 total

ref: mol2, SDF, SMILES, flexibase
3.61,2.75,-13.67,0,4,0, 335.153, 5

Similar to: 5712373, 5745286, 5746250, 10150186, 33796435, ... 5 in total.
59980
 
#39

eMolecules: 26606846
Molport: MolPort-002-691-266
AKOS: AKOS000333975
BioBlocks: A0742/0034632
ChemDiv: 8004-4632...20 total

ref: mol2, SDF, SMILES, flexibase
5.33,6.99,-7.31,1,2,0, 300.572, 2
hi: mol2, SDF, SMILES, flexibase
5.33,6.55,-32.62,0,2,-1, 299.564, 2
hi: mol2, SDF, SMILES, flexibase
5.33,7.77,-42.32,0,2,-1, 299.564, 2
224180
 
#40

eMolecules: 6735659
Molport: MolPort-000-996-752
AKOS: AKOS000290839
Aldrich CPR: CDS008431|ALDRICH
BioBlocks: A0742/0034629...20 total

ref: mol2, SDF, SMILES, flexibase
4.36,2.48,-8.7,0,3,0, 305.127, 4

Similar to: 6259744,
4358713
 
#41

eMolecules: 2091434
Molport: MolPort-002-117-399
AKOS: AKOS001710357
BioBlocks: A0741/0034610
ChemBridge: 5665729...19 total

ref: mol2, SDF, SMILES, flexibase
5.11,8.44,-7.49,1,4,0, 295.386, 4

Similar to: 4180143,
3090363
 
#42

eMolecules: 26813259
Molport: MolPort-002-691-253
AKOS: AKOS001711563
BioBlocks: A0741/0034595
ChemDiv: 8004-4595...15 total

ref: mol2, SDF, SMILES, flexibase
6.01,10.28,-8.73,0,1,0, 319.018, 2

Similar to: 2171401, 2171406, 2171419, 2171474, ... 4 in total.
59974
 
#43

eMolecules: 441307
Molport: MolPort-001-003-544
Scientific Exchange (make on demand): H-005825
AKOS: AKOS000290847
Alinda: IBS-L0135428...21 total

ref: mol2, SDF, SMILES, flexibase
3.97,2.73,-11.94,0,4,0, 335.153, 5

Similar to: 8254291,
3085094
 
#44

eMolecules: 27031097
Molport: MolPort-007-575-646
AKOS: AKOS001711373
ChemDiv: 8004-4588
Mcule: MCULE-3460187896...8 total

ref: mol2, SDF, SMILES, flexibase
8.18,13.91,-15.02,0,3,0, 446.934, 4
lo: mol2, SDF, SMILES, flexibase
8.18,14.37,-45.67,1,3,1, 447.942, 4
3090355
 
#45

eMolecules: 453617
Molport: MolPort-002-691-244
AKOS: AKOS001711102
Aldrich CPR: L460397|ALDRICH
BioBlocks: A0741/0034577...19 total

ref: mol2, SDF, SMILES, flexibase
4.05,9.68,-20.1,1,7,0, 454.28, 7
36060029
 
#46

eMolecules: 27029451
Molport: MolPort-007-575-266
AKOS: AKOS001707406
ChemDiv: 8003-9666
Mcule: MCULE-1094264182...11 total

ref: mol2, SDF, SMILES, flexibase
3.26,5.43,-15.66,3,9,0, 390.783, 7

Similar to: 6449821,
3101385
 
#47

eMolecules: 27029311
Molport: MolPort-007-575-233, MolPort-019-736-512
Scientific Exchange (make on demand): POD_41/0830
AKOS: AKOS001709977
ChemDiv: 8003-9293...9 total

ref: mol2, SDF, SMILES, flexibase
3.62,4.89,-14.23,3,6,0, 408.227, 6
hi: mol2, SDF, SMILES, flexibase
3.62,5.66,-51.94,2,6,-1, 407.219, 6

Similar to: 33588023, 33588024, 33699610, 33699611, 33958738, ... 9 in total.
18039844
 
#48

eMolecules: 484902
Molport: MolPort-001-783-852
Scientific Exchange (make on demand): POD_01/0448
AKOS: AKOS001709712
Alfa-Aesar: H53492...37 total

ref: mol2, SDF, SMILES, flexibase
4.80,11.63,-35.64,1,2,1, 299.397, 5
ref: mol2, SDF, SMILES, flexibase
4.80,10.54,-34.09,1,2,1, 299.397, 5
hi: mol2, SDF, SMILES, flexibase
4.80,11.63,-35.64,1,2,1, 299.397, 5
hi: mol2, SDF, SMILES, flexibase
4.80,10.83,-8.64,0,2,0, 298.389, 5
hi: mol2, SDF, SMILES, flexibase
4.80,9.48,-30.85,1,2,1, 299.397, 5
hi: mol2, SDF, SMILES, flexibase
4.80,9.79,-8.86,0,2,0, 298.389, 5
hi: mol2, SDF, SMILES, flexibase
4.80,10.23,-31.14,1,2,1, 299.397, 5
20073976
 
#49

eMolecules: 27029273
Molport: MolPort-007-575-220
Scientific Exchange (make on demand): POD_28/0142
ChemDiv: 8003-9101
ref: mol2, SDF, SMILES, flexibase
5.06,9.81,-15.14,1,8,0, 459.911, 8
hi: mol2, SDF, SMILES, flexibase
5.06,10.09,-44.43,0,8,-1, 458.903, 8
3168274
 
#50

eMolecules: 27029179
Molport: MolPort-019-745-858, MolPort-007-575-197
AKOS: AKOS001708870
ChemDiv: 8003-8944
Mcule: MCULE-5318870503...10 total

ref: mol2, SDF, SMILES, flexibase
2.51,7.86,-23.88,1,5,0, 296.326, 6
3167847
 
#51

eMolecules: 27029125
Molport: MolPort-007-575-190
AKOS: AKOS001709492
ChemDiv: 8003-8864
Mcule: MCULE-4943450033...7 total

ref: mol2, SDF, SMILES, flexibase
4.59,7.13,-14.45,3,6,0, 440.297, 6
hi: mol2, SDF, SMILES, flexibase
4.59,7.87,-60.3,2,6,-1, 439.289, 6
lo: mol2, SDF, SMILES, flexibase
4.59,7.43,-39.06,4,6,1, 441.305, 6
3090352
 
#52

eMolecules: 27031089
Molport: MolPort-007-575-644
AKOS: AKOS001711017
ChemDiv: 8004-4575
Mcule: MCULE-1025972504...7 total

ref: mol2, SDF, SMILES, flexibase
3.79,1.81,-15.65,1,6,0, 363.348, 6
8856232
 
#53

eMolecules: 26808846
Molport: MolPort-002-689-098
AKOS: AKOS001709486
BioBlocks: A0619/0028668
ChemDiv: 8003-8668...16 total

ref: mol2, SDF, SMILES, flexibase
3.94,7.61,-11.69,3,5,0, 439.228, 5

Similar to: 33724867,
18069410
 
#54

eMolecules: 27028929, 25769686
Molport: MolPort-019-787-582, MolPort-002-688-964, MolPort-001-913-846
AKOS: AKOS000508193
Asinex: BAS00074560
BioBlocks: A0611/0028299...20 total

ref: mol2, SDF, SMILES, flexibase
7.43,11.45,-11.12,2,4,0, 420.512, 5
ref: mol2, SDF, SMILES, flexibase
7.43,8.65,-10.82,2,4,0, 420.512, 5
hi: mol2, SDF, SMILES, flexibase
7.43,9.43,-44.74,1,4,-1, 419.504, 5
hi: mol2, SDF, SMILES, flexibase
7.43,11.05,-45.92,1,4,-1, 419.504, 5
hi: mol2, SDF, SMILES, flexibase
7.43,11.04,-51.45,1,4,-1, 419.504, 5
hi: mol2, SDF, SMILES, flexibase
7.43,12.23,-52.47,1,4,-1, 419.504, 5
hi: mol2, SDF, SMILES, flexibase
7.43,11.69,-92.75,0,4,-2, 418.496, 5
lo: mol2, SDF, SMILES, flexibase
7.43,11.91,-36.53,3,4,1, 421.52, 5
lo: mol2, SDF, SMILES, flexibase
7.43,10.64,-36.41,3,4,1, 421.52, 5
lo: mol2, SDF, SMILES, flexibase
7.43,10.53,-41.52,3,4,1, 421.52, 5
lo: mol2, SDF, SMILES, flexibase
7.43,9.07,-38.52,3,4,1, 421.52, 5
3876409
 
#55

eMolecules: 2016711
Scientific Exchange (make on demand): K-031687
BioBlocks: A0611/0028286
ChemBridge: 5527608
ChemDiv: 8003-8286...10 total

ref: mol2, SDF, SMILES, flexibase
3.06,-2.34,-12.41,1,6,0, 292.316, 4
hi: mol2, SDF, SMILES, flexibase
3.06,-1.76,-41.1,0,6,-1, 291.308, 4

Similar to: 4957254,
4410899
 
#56

eMolecules: 640740, 6136858
Molport: MolPort-003-701-636, MolPort-002-484-926
Scientific Exchange (make on demand): Z-063893
AKOS: AKOS001016211
Aldrich CPR: R496286|ALDRICH...18 total

ref: mol2, SDF, SMILES, flexibase
2.27,5.18,-18.25,2,8,0, 310.269, 3
ref: mol2, SDF, SMILES, flexibase
2.27,5.32,-16.97,2,8,0, 310.269, 3
mid: mol2, SDF, SMILES, flexibase
2.73,3.27,-45.13,1,8,-1, 309.261, 3
mid: mol2, SDF, SMILES, flexibase
2.73,3.58,-39.32,1,8,-1, 309.261, 3

Similar to: 8043346,
12364713
 
#57

eMolecules: 1200908, 27028909
Molport: MolPort-007-575-152, MolPort-001-011-564
Scientific Exchange: POD_02/0958
AKOS: AKOS001700342
Alinda: IBS-L0059912...23 total

ref: mol2, SDF, SMILES, flexibase
3.14,5.54,-13.67,1,4,0, 264.284, 2
ref: mol2, SDF, SMILES, flexibase
3.40,5.97,-35.82,2,4,1, 265.292, 3
hi: mol2, SDF, SMILES, flexibase
3.59,3.85,-51.81,0,4,-1, 263.276, 2
hi: mol2, SDF, SMILES, flexibase
3.59,3.33,-51.16,0,4,-1, 263.276, 2

Similar to: 16524136, 39244251,
18255917
 
#58

eMolecules: 26812767, 25772716
Molport: MolPort-002-688-936, MolPort-001-917-292
AKOS: AKOS000508131
Asinex: BAS00165459
BioBlocks: A0608/0028164...17 total

ref: mol2, SDF, SMILES, flexibase
7.53,14.32,-13.01,0,5,0, 405.457, 7
8567716
 
#59

eMolecules: 26808836
Molport: MolPort-002-688-915
AKOS: AKOS001700890
BioBlocks: A0605/0028025
ChemDiv: 8003-8025...17 total

ref: mol2, SDF, SMILES, flexibase
0.48,2.84,-18.77,4,9,0, 253.218, 5
hi: mol2, SDF, SMILES, flexibase
0.48,4.04,-88.69,2,9,-2, 251.202, 5

Similar to: 33679440, 53622762,
20109991
 
#60

eMolecules: 2426094
Molport: MolPort-002-230-623
Scientific Exchange (make on demand): POD_33/0258
BioBlocks: A0598/0027652
ChemDiv: 8003-7652...9 total

ref: mol2, SDF, SMILES, flexibase
3.47,7.85,-46.7,3,6,1, 381.5, 6
hi: mol2, SDF, SMILES, flexibase
3.47,5.62,-16.98,2,6,0, 380.492, 6

Similar to: 20608829, 20799599, 20799624, 20799801, 26509048, ... 9 in total.
1445062
 
#61

eMolecules: 27031087
Molport: MolPort-002-691-242
AKOS: AKOS001710930
BioBlocks: A0741/0034573
ChemDiv: 8004-4573...15 total

ref: mol2, SDF, SMILES, flexibase
4.21,0.42,-17.26,2,6,0, 392.386, 7

Similar to: 6475759, 33927368, 33927369,
1445060
 
#62

eMolecules: 27031087
Molport: MolPort-002-691-242
AKOS: AKOS001710930
BioBlocks: A0741/0034573
ChemDiv: 8004-4573...15 total

ref: mol2, SDF, SMILES, flexibase
4.21,0.37,-17.24,2,6,0, 392.386, 7

Similar to: 6475759, 33927368, 33927369,
1425028
 
#63

eMolecules: 27028631
Molport: MolPort-007-575-077
AKOS: AKOS001731346
ChemDiv: 8003-6827
Mcule: MCULE-6689872225...12 total

ref: mol2, SDF, SMILES, flexibase
4.59,5.96,-15.33,1,6,0, 424.254, 4
lo: mol2, SDF, SMILES, flexibase
4.59,-3.07,-39.02,2,6,1, 425.262, 4
lo: mol2, SDF, SMILES, flexibase
4.59,6.43,-46.38,2,6,1, 425.262, 4
18192666
 
#64

eMolecules: 4401747, 46518489
Molport: MolPort-008-323-237
ChemDiv: 8003-6659
IBScreen: STOCK1S-66010
Mcule: MCULE-6330031330...16 total

ref: mol2, SDF, SMILES, flexibase
1.15,4.26,-21.58,2,9,0, 396.403, 6
hi: mol2, SDF, SMILES, flexibase
2.07,2.84,-53.66,1,9,-1, 395.395, 6
hi: mol2, SDF, SMILES, flexibase
2.06,1.92,-49.6,1,9,-1, 395.395, 6
222136
 
#65

eMolecules: 27028483
Molport: MolPort-007-575-052
AKOS: AKOS001732098
ChemDiv: 8003-6576
Mcule: MCULE-7420053444...10 total

ref: mol2, SDF, SMILES, flexibase
2.89,6.09,-9.27,0,8,0, 330.296, 5

Similar to: 4469339, 32237050,
4180133
 
#66

eMolecules: 27028449
Molport: MolPort-002-688-497
AKOS: AKOS001731182
ChemDiv: 8003-6549
Mcule: MCULE-6111116876...9 total

ref: mol2, SDF, SMILES, flexibase
4.56,13.54,-12.38,3,9,0, 405.462, 7

Similar to: 4179290,
3082925
 
#67

eMolecules: 27028441
Molport: MolPort-007-575-042
AKOS: AKOS001732275
ChemDiv: 8003-6543
Mcule: MCULE-2503103918...9 total

ref: mol2, SDF, SMILES, flexibase
4.19,6.52,-8.16,1,4,0, 408.239, 3
mid: mol2, SDF, SMILES, flexibase
4.19,7.29,-43.57,0,4,-1, 407.231, 3
lo: mol2, SDF, SMILES, flexibase
4.19,7.17,-37.71,2,4,1, 409.247, 3

Similar to: 3658984,
4429562
 
#68

eMolecules: 1948068
Molport: MolPort-007-575-007
Scientific Exchange (make on demand): POD_09/0813
AKOS: AKOS001731672
Aldrich CPR: S458120|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
-0.74,1.94,-19.16,3,5,0, 168.181, 0
221852
 
#69

eMolecules: 27028227
Molport: MolPort-007-574-985
AKOS: AKOS001732789
ChemDiv: 8003-5898
Mcule: MCULE-6072177715...9 total

ref: mol2, SDF, SMILES, flexibase
5.11,10.74,-11.81,0,3,0, 342.851, 4
3154113
 
#70

eMolecules: 27028205
Molport: MolPort-007-574-981
AKOS: AKOS001733500
ChemDiv: 8003-5859
Mcule: MCULE-2722504479...9 total

ref: mol2, SDF, SMILES, flexibase
4.75,9.98,-8.76,0,5,0, 362.208, 3

Similar to: 6321698, 33685332,
20073691
 
#71

eMolecules: 27028075
Molport: MolPort-007-574-956
AKOS: AKOS001733666
ChemDiv: 8003-5591
Mcule: MCULE-2240618886...7 total

ref: mol2, SDF, SMILES, flexibase
7.42,14.12,-16.54,0,8,0, 450.454, 8
4387219
 
#72

eMolecules: 26812563
Molport: MolPort-002-688-136
AKOS: AKOS001732863
BioBlocks: A0553/0025560
ChemDiv: 8003-5560...20 total

ref: mol2, SDF, SMILES, flexibase
0.09,-0.88,-10.28,5,8,0, 340.767, 7
5221319
 
#73

eMolecules: 27028051
Molport: MolPort-002-688-131
AKOS: AKOS001732594
BioBlocks: A0553/0025552
ChemDiv: 8003-5552...16 total

ref: mol2, SDF, SMILES, flexibase
-0.53,-2.08,-12.08,5,9,0, 336.348, 8

Similar to: 33677866,
4713761
 
#74

eMolecules: 25791233
Molport: MolPort-001-934-553
AKOS: AKOS000614978
Asinex: BAS00474712
ChemDiv: 8003-5521...14 total

ref: mol2, SDF, SMILES, flexibase
-0.84,-2.22,-10.35,5,8,0, 298.343, 7
3082661
 
#75

eMolecules: 27028005
Molport: MolPort-007-574-940
AKOS: AKOS001733215
ChemDiv: 8003-5347
Mcule: MCULE-5094150319...7 total

ref: mol2, SDF, SMILES, flexibase
4.88,6.66,-4.67,1,3,0, 390.462, 2
hi: mol2, SDF, SMILES, flexibase
4.88,7.43,-36.37,0,3,-1, 389.454, 2
3082180
 
#76

eMolecules: 27027721
Molport: MolPort-019-768-701, MolPort-007-574-880
AKOS: AKOS001723715
ChemDiv: 8003-4644
Mcule: MCULE-2155260989...8 total

ref: mol2, SDF, SMILES, flexibase
5.18,12.74,-16.89,0,8,0, 418.405, 8
20073607
 
#77

Molport: MolPort-007-574-879
AKOS: AKOS001723709
ChemDiv: 8003-4477
Mcule: MCULE-1110364881
Mcule Make-on-demand: MCULE-1110364881...5 total

ref: mol2, SDF, SMILES, flexibase
1.13,7.91,-20.38,3,11,0, 295.259, 6
1444689
 
#78

eMolecules: 2746966
Molport: MolPort-002-321-800
Scientific Exchange: Z-045746
BioBlocks: A0528/0024472
ChemDiv: 8003-4472...14 total

ref: mol2, SDF, SMILES, flexibase
3.18,3.19,-51.9,1,7,-1, 387.466, 6
hi: mol2, SDF, SMILES, flexibase
3.18,-4.95,-46.74,1,7,-1, 387.466, 6
hi: mol2, SDF, SMILES, flexibase
3.18,3.96,-91.61,0,7,-2, 386.458, 6
hi: mol2, SDF, SMILES, flexibase
3.18,5.15,-101.12,0,7,-2, 386.458, 6
lo: mol2, SDF, SMILES, flexibase
3.18,4.34,-16.34,2,7,0, 388.474, 6
lo: mol2, SDF, SMILES, flexibase
3.18,4.88,-63.43,2,7,0, 388.474, 6
lo: mol2, SDF, SMILES, flexibase
3.18,3.63,-68.1,2,7,0, 388.474, 6
5013110
 
#79

eMolecules: 46472293, 4377858
Molport: MolPort-002-540-810
Scientific Exchange (make on demand): R-067236
AKOS: AKOS001722998
Asinex: BAS01108367...21 total

ref: mol2, SDF, SMILES, flexibase
2.24,2.29,-8.29,3,6,0, 361.199, 2
lo: mol2, SDF, SMILES, flexibase
2.24,2.61,-52.03,4,6,1, 362.207, 2

Similar to: 5799359, 5799369, 6420118, 6420119, 6565201, ... 7 in total.
5013109
 
#80

eMolecules: 46472293, 4377858
Molport: MolPort-002-540-810
Scientific Exchange (make on demand): R-067236
AKOS: AKOS001722998
Asinex: BAS01108367...21 total

ref: mol2, SDF, SMILES, flexibase
2.24,2.36,-8.26,3,6,0, 361.199, 2
lo: mol2, SDF, SMILES, flexibase
2.24,2.6,-51.99,4,6,1, 362.207, 2

Similar to: 5799359, 5799369, 6420118, 6420119, 6565201, ... 7 in total.
1445058
 
#81

eMolecules: 26813251
Molport: MolPort-002-691-240
AKOS: AKOS001710832
BioBlocks: A0741/0034571
ChemDiv: 8004-4571...16 total

ref: mol2, SDF, SMILES, flexibase
3.74,0.58,-20.31,1,7,0, 454.28, 7

Similar to: 32222322,
3090347
 
#82

eMolecules: 26531911
Molport: MolPort-002-691-239
AKOS: AKOS001710733
BioBlocks: A0741/0034570
ChemDiv: 8004-4570...18 total

ref: mol2, SDF, SMILES, flexibase
5.39,0.93,-16.35,2,6,0, 468.484, 8
59972
 
#83

eMolecules: 6735605
Molport: MolPort-002-691-232
AKOS: AKOS001710355
BioBlocks: A0740/0034560
ChemDiv: 8004-4560...15 total

ref: mol2, SDF, SMILES, flexibase
3.66,-3.05,-13.65,3,5,0, 297.358, 5

Similar to: 5897789,
1445056
 
#84

eMolecules: 6735601
Molport: MolPort-002-691-230
AKOS: AKOS001710257
BioBlocks: A0740/0034558
ChemDiv: 8004-4558...16 total

ref: mol2, SDF, SMILES, flexibase
4.57,10.56,-16.12,1,6,0, 438.281, 6
1214075
 
#85

eMolecules: 25862918
Molport: MolPort-002-154-420
AKOS: AKOS001710256
BioBlocks: A0740/0034557
ChemBridge: 5532598...19 total

ref: mol2, SDF, SMILES, flexibase
3.41,9.14,-20.66,1,7,0, 393.374, 7

Similar to: 43979768,
1054201
 
#86

eMolecules: 6735599
Molport: MolPort-002-691-229
Scientific Exchange (make on demand): T-008201
AKOS: AKOS001710164
BioBlocks: A0740/0034556...18 total

ref: mol2, SDF, SMILES, flexibase
5.11,-0.78,-19.81,1,4,0, 402.075, 5
1054198
 
#87

eMolecules: 26813245
Molport: MolPort-002-691-222
AKOS: AKOS001711371
BioBlocks: A0740/0034547
ChemDiv: 8004-4547...16 total

ref: mol2, SDF, SMILES, flexibase
3.41,1.5,-21.23,1,8,0, 419.437, 8
1433872
 
#88

eMolecules: 27031079
Molport: MolPort-002-691-221
AKOS: AKOS001711284
BioBlocks: A0740/0034544
ChemDiv: 8004-4544...15 total

ref: mol2, SDF, SMILES, flexibase
4.85,10.52,-16.82,2,6,0, 453.292, 7
59996
 
#89

eMolecules: 27031195
Molport: MolPort-002-691-322
AKOS: AKOS001710936
BioBlocks: A0743/0034711
ChemDiv: 8004-4711...13 total

ref: mol2, SDF, SMILES, flexibase
3.56,0.39,-10.92,1,5,0, 256.261, 3
224238
 
#90

eMolecules: 27031183
Molport: MolPort-002-691-316
AKOS: AKOS001710738
ChemDiv: 8004-4704
Mcule: MCULE-7969482951...13 total

ref: mol2, SDF, SMILES, flexibase
3.48,-0.92,-39.94,1,6,-1, 271.252, 3

Similar to: 33896039,
224232
 
#91

eMolecules: 27031181
Molport: MolPort-007-575-654
AKOS: AKOS001710642
ChemDiv: 8004-4703
Mcule: MCULE-1845227525...12 total

ref: mol2, SDF, SMILES, flexibase
4.20,4.72,-51.38,1,3,-1, 260.7, 2
mid: mol2, SDF, SMILES, flexibase
4.20,5,-39.91,1,3,-1, 260.7, 2
lo: mol2, SDF, SMILES, flexibase
4.20,4.87,-35.45,3,3,1, 262.716, 2
224220
 
#92

eMolecules: 27031177
Molport: MolPort-007-575-653
AKOS: AKOS001710641
ChemDiv: 8004-4701
Mcule: MCULE-2625615435...12 total

ref: mol2, SDF, SMILES, flexibase
4.33,4.81,-51.28,1,3,-1, 305.151, 2
mid: mol2, SDF, SMILES, flexibase
4.33,5.1,-39.81,1,3,-1, 305.151, 2
lo: mol2, SDF, SMILES, flexibase
4.33,4.97,-35.65,3,3,1, 307.167, 2
59990
 
#93

eMolecules: 26813269
Molport: MolPort-002-691-309
AKOS: AKOS001710460
BioBlocks: A0743/0034692
ChemDiv: 8004-4692...15 total

ref: mol2, SDF, SMILES, flexibase
4.70,1.49,-10.89,0,5,0, 325.151, 4
224198
 
#94

eMolecules: 27031171
Molport: MolPort-002-691-307, MolPort-019-745-548
AKOS: AKOS001710262
BioBlocks: A0743/0034689
ChemDiv: 8004-4689...15 total

ref: mol2, SDF, SMILES, flexibase
3.91,0.66,-8.05,0,7,0, 334.715, 4
59988
 
#95

eMolecules: 27031169
Molport: MolPort-002-691-306
AKOS: AKOS001710261
BioBlocks: A0743/0034688
ChemDiv: 8004-4688...17 total

ref: mol2, SDF, SMILES, flexibase
3.78,0.93,-52.85,0,6,-1, 305.697, 4
3066554
 
#96

eMolecules: 27031167
Molport: MolPort-002-691-304
AKOS: AKOS001710170
BioBlocks: A0743/0034686
ChemDiv: 8004-4686...14 total

ref: mol2, SDF, SMILES, flexibase
4.54,-0.35,-34.38,0,6,-1, 384.593, 4
15133680
 
#97

eMolecules: 27031155
Molport: MolPort-002-691-290
AKOS: AKOS001710933
BioBlocks: A0743/0034668
ChemDiv: 8004-4668...19 total

ref: mol2, SDF, SMILES, flexibase
4.01,6.7,-36.7,0,6,-1, 305.697, 4
1433893
 
#98

eMolecules: 27031141
Molport: MolPort-002-691-285
AKOS: AKOS001710459
BioBlocks: A0742/0034657
ChemDiv: 8004-4657...14 total

ref: mol2, SDF, SMILES, flexibase
5.91,9,-12.98,0,7,0, 452.264, 5
3090377
 
#99

eMolecules: 27031137
Molport: MolPort-002-691-283
AKOS: AKOS001710359
BioBlocks: A0742/0034654
ChemDiv: 8004-4654...14 total

ref: mol2, SDF, SMILES, flexibase
6.51,10.23,-12.46,0,6,0, 456.683, 4
3090374
 
#100

eMolecules: 27031119
Molport: MolPort-002-691-272
AKOS: AKOS001711288
BioBlocks: A0742/0034641
ChemDiv: 8004-4641...16 total

ref: mol2, SDF, SMILES, flexibase
5.13,-0.44,-34.77,0,5,-1, 389.012, 3

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 = 11 ) limit 0,100

Smiles were