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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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20858308
 
#1

eMolecules: 17432450
Molport: MolPort-007-653-447
AKOS: AKOS001821386
Mcule: MCULE-8766849172
PubChem: 46257675...6 total

ref: mol2, SDF, SMILES, flexibase
2.12,2.42,-22.71,3,10,0, 496.925, 8

Similar to: 20858312,
20858312
 
#2

eMolecules: 17432450
Molport: MolPort-007-653-447
AKOS: AKOS001821386
Mcule: MCULE-8766849172
PubChem: 46257675...6 total

ref: mol2, SDF, SMILES, flexibase
2.12,2.57,-21.16,3,10,0, 496.925, 8

Similar to: 20858308,
20858298
 
#3

eMolecules: 17432448
Molport: MolPort-007-653-446
AKOS: AKOS001821303
Mcule: MCULE-2578485258
PubChem: 46257674...6 total

ref: mol2, SDF, SMILES, flexibase
2.72,3.75,-21.13,3,9,0, 460.508, 7

Similar to: 20858303, 20858052, 20858057, 20858087, 20858092, ... 5 in total.
20858303
 
#4

eMolecules: 17432448
Molport: MolPort-007-653-446
AKOS: AKOS001821303
Mcule: MCULE-2578485258
PubChem: 46257674...6 total

ref: mol2, SDF, SMILES, flexibase
2.72,3.65,-21.55,3,9,0, 460.508, 7

Similar to: 20858052, 20858057, 20858087, 20858092, 20858298, ... 5 in total.
20858290
 
#5

eMolecules: 17432446
Molport: MolPort-007-653-445
AKOS: AKOS001820966
Mcule: MCULE-6658414118
PubChem: 46257673...6 total

ref: mol2, SDF, SMILES, flexibase
3.16,4.87,-20.26,3,9,0, 488.562, 8

Similar to: 20858294, 20848896, 20848899,
20858294
 
#6

eMolecules: 17432446
Molport: MolPort-007-653-445
AKOS: AKOS001820966
Mcule: MCULE-6658414118
PubChem: 46257673...6 total

ref: mol2, SDF, SMILES, flexibase
3.16,4.66,-20.32,3,9,0, 488.562, 8

Similar to: 20848896, 20848899, 20858290,
20858285
 
#7

eMolecules: 17432444
Molport: MolPort-007-653-444
Mcule: MCULE-8921400105
PubChem: 46257672
AKOS (make-on-demand): AKOS001820882...6 total

ref: mol2, SDF, SMILES, flexibase
2.52,2.69,-21.29,3,9,0, 466.899, 7

Similar to: 20858281,
20858281
 
#8

eMolecules: 17432444
Molport: MolPort-007-653-444
Mcule: MCULE-8921400105
PubChem: 46257672
AKOS (make-on-demand): AKOS001820882...6 total

ref: mol2, SDF, SMILES, flexibase
2.52,2.82,-22.32,3,9,0, 466.899, 7

Similar to: 20858285,
20858272
 
#9

eMolecules: 17432442
Molport: MolPort-007-653-443
AKOS: AKOS001820627
Mcule: MCULE-8301968839
PubChem: 46257671...6 total

ref: mol2, SDF, SMILES, flexibase
2.30,2.67,-19.67,3,9,0, 466.899, 7

Similar to: 20858277, 10273584, 10273585, 10273033, 10273032, ... 7 in total.
20858277
 
#10

eMolecules: 17432442
Molport: MolPort-007-653-443
AKOS: AKOS001820627
Mcule: MCULE-8301968839
PubChem: 46257671...6 total

ref: mol2, SDF, SMILES, flexibase
2.30,2.31,-22.39,3,9,0, 466.899, 7

Similar to: 20858272, 10273584, 10273585, 10273033, 10273032, ... 7 in total.
20858262
 
#11

eMolecules: 17432440
Molport: MolPort-007-653-442
AKOS: AKOS001820626
Mcule: MCULE-5349563371
PubChem: 46257670...6 total

ref: mol2, SDF, SMILES, flexibase
2.90,3.87,-20.76,3,8,0, 430.482, 6

Similar to: 20858267, 20858185, 20858189, 20858193, 20858197, ... 5 in total.
20858267
 
#12

eMolecules: 17432440
Molport: MolPort-007-653-442
AKOS: AKOS001820626
Mcule: MCULE-5349563371
PubChem: 46257670...6 total

ref: mol2, SDF, SMILES, flexibase
2.90,3.77,-20.65,3,8,0, 430.482, 6

Similar to: 20858185, 20858189, 20858193, 20858197, 20858262, ... 5 in total.
20858258
 
#13

eMolecules: 17432438
Molport: MolPort-007-653-441
AKOS: AKOS001820544
Mcule: MCULE-5971564722
PubChem: 46257669...6 total

ref: mol2, SDF, SMILES, flexibase
2.82,4.9,-20.63,3,8,0, 456.52, 6

Similar to: 20858254, 10273581, 10273582,
20858254
 
#14

eMolecules: 17432438
Molport: MolPort-007-653-441
AKOS: AKOS001820544
Mcule: MCULE-5971564722
PubChem: 46257669...6 total

ref: mol2, SDF, SMILES, flexibase
2.82,5,-21.6,3,8,0, 456.52, 6

Similar to: 20858258, 10273581, 10273582,
20858250
 
#15

eMolecules: 17432436
Molport: MolPort-007-653-440
AKOS: AKOS001820543
Mcule: MCULE-7414516912
PubChem: 46257668...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,3,-21.2,3,8,0, 454.863, 6

Similar to: 20858245, 10273578, 10273579,
20858245
 
#16

eMolecules: 17432436
Molport: MolPort-007-653-440
AKOS: AKOS001820543
Mcule: MCULE-7414516912
PubChem: 46257668...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,3.36,-18.12,3,8,0, 454.863, 6

Similar to: 20858250, 10273578, 10273579,
20858236
 
#17

eMolecules: 17432434
Molport: MolPort-007-653-439
Mcule: MCULE-6071709723
PubChem: 46257667
AKOS (make-on-demand): AKOS001821725...6 total

ref: mol2, SDF, SMILES, flexibase
2.94,5.18,-21.35,3,8,0, 458.536, 8

Similar to: 20858241, 10273567, 10273568,
20858241
 
#18

eMolecules: 17432434
Molport: MolPort-007-653-439
Mcule: MCULE-6071709723
PubChem: 46257667
AKOS (make-on-demand): AKOS001821725...6 total

ref: mol2, SDF, SMILES, flexibase
2.94,4.85,-21.55,3,8,0, 458.536, 8

Similar to: 20858236, 10273567, 10273568,
15934970
 
#19

eMolecules: 17432432
Molport: MolPort-007-653-438
AKOS: AKOS001821640
Mcule: MCULE-2994651257
ChEMBL12: CHEMBL1482954...9 total

ref: mol2, SDF, SMILES, flexibase
2.74,2.8,-19.35,3,9,0, 466.899, 7

Similar to: 15934971, 10273561, 10273563,
15934971
 
#20

eMolecules: 17432432
Molport: MolPort-007-653-438
AKOS: AKOS001821640
Mcule: MCULE-2994651257
ChEMBL12: CHEMBL1482954...9 total

ref: mol2, SDF, SMILES, flexibase
2.74,2.8,-17.51,3,9,0, 466.899, 7

Similar to: 15934970, 10273561, 10273563,
20858228
 
#21

eMolecules: 17432430
Molport: MolPort-007-653-437
Mcule: MCULE-5140761946
PubChem: 46257666
AKOS (make-on-demand): AKOS001821558...6 total

ref: mol2, SDF, SMILES, flexibase
1.69,1.82,-22.51,3,9,0, 432.454, 7

Similar to: 20858232, 10273558, 10273560, 10273336, 10273334, ... 7 in total.
20858232
 
#22

eMolecules: 17432430
Molport: MolPort-007-653-437
Mcule: MCULE-5140761946
PubChem: 46257666
AKOS (make-on-demand): AKOS001821558...6 total

ref: mol2, SDF, SMILES, flexibase
1.69,1.5,-22.38,3,9,0, 432.454, 7

Similar to: 20858228, 10273558, 10273560, 10273336, 10273334, ... 7 in total.
20858219
 
#23

eMolecules: 17432428
Molport: MolPort-007-653-436
AKOS: AKOS001821557
Mcule: MCULE-2375066947
PubChem: 46257665...6 total

ref: mol2, SDF, SMILES, flexibase
3.34,4.84,-21.2,3,8,0, 458.536, 7

Similar to: 20858223, 10273555, 10273556,
20858223
 
#24

eMolecules: 17432428
Molport: MolPort-007-653-436
AKOS: AKOS001821557
Mcule: MCULE-2375066947
PubChem: 46257665...6 total

ref: mol2, SDF, SMILES, flexibase
3.34,4.52,-21.4,3,8,0, 458.536, 7

Similar to: 20858219, 10273555, 10273556,
20858215
 
#25

eMolecules: 17432426
Molport: MolPort-007-653-435
AKOS: AKOS001821472
Mcule: MCULE-2305821737
PubChem: 46257664...6 total

ref: mol2, SDF, SMILES, flexibase
2.70,2.99,-19.77,3,8,0, 436.873, 6

Similar to: 20858210,
20858210
 
#26

eMolecules: 17432426
Molport: MolPort-007-653-435
AKOS: AKOS001821472
Mcule: MCULE-2305821737
PubChem: 46257664...6 total

ref: mol2, SDF, SMILES, flexibase
2.70,3.21,-18.18,3,8,0, 436.873, 6

Similar to: 20858215,
20858205
 
#27

eMolecules: 17432424
Molport: MolPort-007-653-434
AKOS: AKOS001821471
Mcule: MCULE-2820506882
PubChem: 46257663...6 total

ref: mol2, SDF, SMILES, flexibase
2.29,2.95,-20.98,3,8,0, 436.873, 6

Similar to: 20858200, 10273552, 10273553,
20858200
 
#28

eMolecules: 17432424
Molport: MolPort-007-653-434
AKOS: AKOS001821471
Mcule: MCULE-2820506882
PubChem: 46257663...6 total

ref: mol2, SDF, SMILES, flexibase
2.29,2.88,-21.94,3,8,0, 436.873, 6

Similar to: 20858205, 10273552, 10273553,
15935624
 
#29

eMolecules: 17432422
Molport: MolPort-007-653-433
AKOS: AKOS001821302
Mcule: MCULE-5977238340
ChEMBL19: CHEMBL1903655...8 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.48,-17.12,3,8,0, 402.428, 6

Similar to: 15935623, 10273359, 10273360, 10273545, 10273546, ... 5 in total.
15935623
 
#30

eMolecules: 17432422
Molport: MolPort-007-653-433
AKOS: AKOS001821302
Mcule: MCULE-5977238340
ChEMBL19: CHEMBL1903655...8 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.49,-18.55,3,8,0, 402.428, 6

Similar to: 15935624, 10273359, 10273360, 10273545, 10273546, ... 5 in total.
20858193
 
#31

eMolecules: 17432420
Molport: MolPort-007-653-432
AKOS: AKOS001821219
Mcule: MCULE-3212423701
PubChem: 46257662...6 total

ref: mol2, SDF, SMILES, flexibase
3.81,6.87,-17.11,2,8,0, 458.536, 8

Similar to: 20858197, 20858262, 20858267,
20858197
 
#32

eMolecules: 17432420
Molport: MolPort-007-653-432
AKOS: AKOS001821219
Mcule: MCULE-3212423701
PubChem: 46257662...6 total

ref: mol2, SDF, SMILES, flexibase
3.81,6.99,-17.52,2,8,0, 458.536, 8

Similar to: 20858262, 20858267, 20858185, 20858189, 20858193, ... 5 in total.
20858185
 
#33

eMolecules: 17432418
Molport: MolPort-007-653-431
Mcule: MCULE-7271443177
PubChem: 46257661
AKOS (make-on-demand): AKOS001820625...6 total

ref: mol2, SDF, SMILES, flexibase
4.19,7.96,-15.18,2,8,0, 472.563, 8

Similar to: 20858189, 20858193, 20858197, 20858262, 20858267, ... 5 in total.
20858189
 
#34

eMolecules: 17432418
Molport: MolPort-007-653-431
Mcule: MCULE-7271443177
PubChem: 46257661
AKOS (make-on-demand): AKOS001820625...6 total

ref: mol2, SDF, SMILES, flexibase
4.19,7.67,-16.4,2,8,0, 472.563, 8

Similar to: 20858193, 20858197, 20858262, 20858267, ... 5 in total.
20858175
 
#35

eMolecules: 17432416
Molport: MolPort-007-653-430
AKOS: AKOS001828365
Mcule: MCULE-5454718447
PubChem: 46257660...6 total

ref: mol2, SDF, SMILES, flexibase
4.07,8.74,-15.17,2,7,0, 476.982, 8

Similar to: 20858180, 10273355, 10273356,
20858180
 
#36

eMolecules: 17432416
Molport: MolPort-007-653-430
AKOS: AKOS001828365
Mcule: MCULE-5454718447
PubChem: 46257660...6 total

ref: mol2, SDF, SMILES, flexibase
4.07,8.6,-16.97,2,7,0, 476.982, 8

Similar to: 20858175, 10273355, 10273356,
20858171
 
#37

eMolecules: 17432414
Molport: MolPort-007-653-429
Mcule: MCULE-8282720461
PubChem: 46257659
AKOS (make-on-demand): AKOS001828364...6 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.65,-16.81,2,7,0, 420.874, 6

Similar to: 20858166, 10273355, 10273356,
20858166
 
#38

eMolecules: 17432414
Molport: MolPort-007-653-429
Mcule: MCULE-8282720461
PubChem: 46257659
AKOS (make-on-demand): AKOS001828364...6 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.78,-18.69,2,7,0, 420.874, 6

Similar to: 20858171, 10273355, 10273356,
8603496
 
#39

eMolecules: 17432412
Molport: MolPort-007-653-428
AKOS: AKOS001828263
Mcule: MCULE-7435984201
ChEMBL12: CHEMBL1514425...8 total

ref: mol2, SDF, SMILES, flexibase
3.83,7.37,-15.49,2,7,0, 428.51, 6

Similar to: 20858018, 20858022, 20858116, 20858120, ... 5 in total.
8603495
 
#40

eMolecules: 17432412
Molport: MolPort-007-653-428
AKOS: AKOS001828263
Mcule: MCULE-7435984201
ChEMBL12: CHEMBL1514425...8 total

ref: mol2, SDF, SMILES, flexibase
3.83,7.35,-17.37,2,7,0, 428.51, 6

Similar to: 8603496, 20858018, 20858022, 20858116, 20858120, ... 5 in total.
20858154
 
#41

eMolecules: 17432410
Molport: MolPort-007-653-426
AKOS: AKOS001828361
Mcule: MCULE-5433854205
PubChem: 46257657...6 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.21,-19.65,2,9,0, 460.508, 8

Similar to: 20858009, 20858014, 20858150, 10273626, 10273627, ... 5 in total.
20858150
 
#42

eMolecules: 17432410
Molport: MolPort-007-653-426
AKOS: AKOS001828361
Mcule: MCULE-5433854205
PubChem: 46257657...6 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.58,-18.19,2,9,0, 460.508, 8

Similar to: 20858154, 20858009, 20858014, 10273626, 10273627, ... 5 in total.
20858137
 
#43

eMolecules: 17432408
Molport: MolPort-007-653-424
AKOS: AKOS001828166
Mcule: MCULE-6868775990
PubChem: 46257655...6 total

ref: mol2, SDF, SMILES, flexibase
4.27,8.05,-16.69,2,7,0, 456.564, 7

Similar to: 20858026, 20858030, 20858133, 10273332, 10273333, ... 5 in total.
20858133
 
#44

eMolecules: 17432408
Molport: MolPort-007-653-424
AKOS: AKOS001828166
Mcule: MCULE-6868775990
PubChem: 46257655...6 total

ref: mol2, SDF, SMILES, flexibase
4.27,8.38,-17.73,2,7,0, 456.564, 7

Similar to: 20858137, 20858026, 20858030, 10273332, 10273333, ... 5 in total.
20858128
 
#45

eMolecules: 17432406
Molport: MolPort-007-653-423
AKOS: AKOS001828359
Mcule: MCULE-4637466784
PubChem: 46257654...6 total

ref: mol2, SDF, SMILES, flexibase
3.22,6.49,-16.86,2,7,0, 434.901, 6

Similar to: 20857989, 20857993, 20858124,
20858124
 
#46

eMolecules: 17432406
Molport: MolPort-007-653-423
AKOS: AKOS001828359
Mcule: MCULE-4637466784
PubChem: 46257654...6 total

ref: mol2, SDF, SMILES, flexibase
3.22,6.4,-17.47,2,7,0, 434.901, 6

Similar to: 20858128, 20857989, 20857993,
20858120
 
#47

eMolecules: 17432404
Molport: MolPort-007-653-422
Mcule: MCULE-1129712878
PubChem: 46257653
AKOS (make-on-demand): AKOS001828258...6 total

ref: mol2, SDF, SMILES, flexibase
4.20,8.39,-14.44,2,7,0, 442.537, 6

Similar to: 8603495, 8603496, 20858018, 20858022, 20858116, ... 5 in total.
20858116
 
#48

eMolecules: 17432404
Molport: MolPort-007-653-422
Mcule: MCULE-1129712878
PubChem: 46257653
AKOS (make-on-demand): AKOS001828258...6 total

ref: mol2, SDF, SMILES, flexibase
4.20,8.41,-16.77,2,7,0, 442.537, 6

Similar to: 20858120, 8603495, 8603496, 20858018, 20858022, ... 5 in total.
20858111
 
#49

eMolecules: 17432402
Molport: MolPort-007-653-421
AKOS: AKOS001828164
Mcule: MCULE-6554941504
PubChem: 46257652...6 total

ref: mol2, SDF, SMILES, flexibase
2.56,5.88,-15.98,2,7,0, 400.456, 6

Similar to: 20858107, 15936965, 15936966, 10273323, 10273325, ... 7 in total.
20858107
 
#50

eMolecules: 17432402
Molport: MolPort-007-653-421
AKOS: AKOS001828164
Mcule: MCULE-6554941504
PubChem: 46257652...6 total

ref: mol2, SDF, SMILES, flexibase
2.56,5.9,-17.35,2,7,0, 400.456, 6

Similar to: 20858111, 15936965, 15936966, 10273323, 10273325, ... 7 in total.
20858102
 
#51

eMolecules: 17432400
Molport: MolPort-007-653-420
AKOS: AKOS001828358
Mcule: MCULE-8094973440
PubChem: 46257651...6 total

ref: mol2, SDF, SMILES, flexibase
2.85,5.2,-17.07,2,8,0, 450.9, 7

Similar to: 20858097, 10273549, 10273551, 10273038, 10273039, ... 5 in total.
20858097
 
#52

eMolecules: 17432400
Molport: MolPort-007-653-420
AKOS: AKOS001828358
Mcule: MCULE-8094973440
PubChem: 46257651...6 total

ref: mol2, SDF, SMILES, flexibase
2.85,5.21,-18.6,2,8,0, 450.9, 7

Similar to: 20858102, 10273549, 10273551, 10273038, 10273039, ... 5 in total.
36346860
 
#53

eMolecules: 25340764
PubChem: 46032132
Ambinter: Amb7648889
ref: mol2, SDF, SMILES, flexibase
3.89,7.88,-8.23,1,3,0, 282.387, 5
20858087
 
#54

eMolecules: 17432398
Molport: MolPort-007-653-419
Mcule: MCULE-8953353527
PubChem: 46257650
AKOS (make-on-demand): AKOS001828357...6 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.72,-21.7,2,9,0, 474.535, 8

Similar to: 20858092, 20858298, 20858303,
20858092
 
#55

eMolecules: 17432398
Molport: MolPort-007-653-419
Mcule: MCULE-8953353527
PubChem: 46257650
AKOS (make-on-demand): AKOS001828357...6 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.61,-21.11,2,9,0, 474.535, 8

Similar to: 20858298, 20858303, 20858052, 20858057, 20858087, ... 5 in total.
20858083
 
#56

eMolecules: 17432396
Molport: MolPort-007-653-418
AKOS: AKOS001828257
Mcule: MCULE-4488023295
PubChem: 46257649...6 total

ref: mol2, SDF, SMILES, flexibase
2.53,5.23,-20.1,2,9,0, 498.916, 8

Similar to: 20858078, 10273643, 10273644,
20858078
 
#57

eMolecules: 17432396
Molport: MolPort-007-653-418
AKOS: AKOS001828257
Mcule: MCULE-4488023295
PubChem: 46257649...6 total

ref: mol2, SDF, SMILES, flexibase
2.53,5.08,-22,2,9,0, 498.916, 8

Similar to: 20858083, 10273643, 10273644,
20858070
 
#58

eMolecules: 17432394
Molport: MolPort-007-653-417
AKOS: AKOS001828073
Mcule: MCULE-8212375576
PubChem: 46257648...6 total

ref: mol2, SDF, SMILES, flexibase
1.82,3.61,-20.66,2,10,0, 476.507, 9

Similar to: 20858074, 10273369, 10273370,
20858074
 
#59

eMolecules: 17432394
Molport: MolPort-007-653-417
AKOS: AKOS001828073
Mcule: MCULE-8212375576
PubChem: 46257648...6 total

ref: mol2, SDF, SMILES, flexibase
1.82,3.61,-20.89,2,10,0, 476.507, 9

Similar to: 20858070, 10273369, 10273370,
20858065
 
#60

eMolecules: 17432392
Molport: MolPort-007-653-416
Mcule: MCULE-1354081141
PubChem: 46257647
AKOS (make-on-demand): AKOS001828356...6 total

ref: mol2, SDF, SMILES, flexibase
2.41,5.05,-19.45,2,9,0, 480.926, 8

Similar to: 20858061, 10273367, 10273368,
20858061
 
#61

eMolecules: 17432392
Molport: MolPort-007-653-416
Mcule: MCULE-1354081141
PubChem: 46257647
AKOS (make-on-demand): AKOS001828356...6 total

ref: mol2, SDF, SMILES, flexibase
2.41,5.03,-20.89,2,9,0, 480.926, 8

Similar to: 20858065, 10273367, 10273368,
20858052
 
#62

eMolecules: 17432390
Molport: MolPort-007-653-415
AKOS: AKOS001828161
Mcule: MCULE-8661759826
PubChem: 46257646...6 total

ref: mol2, SDF, SMILES, flexibase
3.40,6.56,-19.28,2,9,0, 488.562, 8

Similar to: 20858057, 20858087, 20858092, 20858298, 20858303, ... 5 in total.
20858057
 
#63

eMolecules: 17432390
Molport: MolPort-007-653-415
AKOS: AKOS001828161
Mcule: MCULE-8661759826
PubChem: 46257646...6 total

ref: mol2, SDF, SMILES, flexibase
3.40,6.1,-18.48,2,9,0, 488.562, 8

Similar to: 20858087, 20858092, 20858298, 20858303, ... 5 in total.
15933839
 
#64

eMolecules: 17432388
Molport: MolPort-007-653-414
AKOS: AKOS001828072
Mcule: MCULE-1948731248
ChEMBL12: CHEMBL1372430...9 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.22,-19.83,2,9,0, 460.508, 8

Similar to: 15933840, 20848890, 20848893,
15933840
 
#65

eMolecules: 17432388
Molport: MolPort-007-653-414
AKOS: AKOS001828072
Mcule: MCULE-1948731248
ChEMBL12: CHEMBL1372430...9 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.22,-18.08,2,9,0, 460.508, 8

Similar to: 20848890, 20848893, 15933839, 10273363, 10273364, ... 7 in total.
20858043
 
#66

eMolecules: 17432386
Molport: MolPort-007-653-413
AKOS: AKOS001828355
Mcule: MCULE-9847724478
PubChem: 46257645...6 total

ref: mol2, SDF, SMILES, flexibase
4.30,7.84,-17.41,2,7,0, 462.955, 7

Similar to: 20858047, 10273615, 10273617,
20858047
 
#67

eMolecules: 17432386
Molport: MolPort-007-653-413
AKOS: AKOS001828355
Mcule: MCULE-9847724478
PubChem: 46257645...6 total

ref: mol2, SDF, SMILES, flexibase
4.30,7.83,-15.85,2,7,0, 462.955, 7

Similar to: 20858043, 10273615, 10273617,
20858026
 
#68

eMolecules: 17432384
Molport: MolPort-007-653-411
AKOS: AKOS001828352
Mcule: MCULE-7230995346
PubChem: 46257643...6 total

ref: mol2, SDF, SMILES, flexibase
3.63,7.32,-17.84,2,7,0, 428.51, 7

Similar to: 20858030, 20858133, 20858137,
20858030
 
#69

eMolecules: 17432384
Molport: MolPort-007-653-411
AKOS: AKOS001828352
Mcule: MCULE-7230995346
PubChem: 46257643...6 total

ref: mol2, SDF, SMILES, flexibase
3.63,7.36,-16.09,2,7,0, 428.51, 7

Similar to: 20858133, 20858137, 20858026, 10273332, 10273333, ... 5 in total.
20858018
 
#70

eMolecules: 17432382
Molport: MolPort-007-653-410
AKOS: AKOS001828253
Mcule: MCULE-7160638714
PubChem: 46257642...6 total

ref: mol2, SDF, SMILES, flexibase
3.38,6.89,-16.65,2,7,0, 414.483, 6

Similar to: 20858022, 20858116, 20858120,
20858022
 
#71

eMolecules: 17432382
Molport: MolPort-007-653-410
AKOS: AKOS001828253
Mcule: MCULE-7160638714
PubChem: 46257642...6 total

ref: mol2, SDF, SMILES, flexibase
3.38,6.52,-16.59,2,7,0, 414.483, 6

Similar to: 20858116, 20858120, 8603495, 8603496, 20858018, ... 5 in total.
20858009
 
#72

eMolecules: 17432380
Molport: MolPort-007-653-409
AKOS: AKOS001507485
Mcule: MCULE-9279148134
AKOS BB (make-on-demand): AKOS001507485...7 total

ref: mol2, SDF, SMILES, flexibase
1.76,4.63,-21.12,2,9,0, 446.481, 8

Similar to: 20858014, 20858150, 20858154,
20858014
 
#73

eMolecules: 17432380
Molport: MolPort-007-653-409
AKOS: AKOS001507485
Mcule: MCULE-9279148134
AKOS BB (make-on-demand): AKOS001507485...7 total

ref: mol2, SDF, SMILES, flexibase
1.76,4.54,-19.46,2,9,0, 446.481, 8

Similar to: 20858150, 20858154, 20858009, 10273626, 10273627, ... 5 in total.
20857999
 
#74

eMolecules: 17432378
Molport: MolPort-007-653-408
AKOS: AKOS001828069
Mcule: MCULE-7745923176
PubChem: 46257640...6 total

ref: mol2, SDF, SMILES, flexibase
3.42,7.88,-16.7,2,7,0, 442.537, 8

Similar to: 20858004,
20858004
 
#75

eMolecules: 17432378
Molport: MolPort-007-653-408
AKOS: AKOS001828069
Mcule: MCULE-7745923176
PubChem: 46257640...6 total

ref: mol2, SDF, SMILES, flexibase
3.42,8.09,-16.18,2,7,0, 442.537, 8

Similar to: 20857999,
20857993
 
#76

eMolecules: 17432376
Molport: MolPort-007-653-407
Mcule: MCULE-3682299332
PubChem: 46257639
AKOS (make-on-demand): AKOS001828251...6 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.57,-17.47,2,7,0, 420.874, 6

Similar to: 20858124, 20858128, 20857989,
20857989
 
#77

eMolecules: 17432376
Molport: MolPort-007-653-407
Mcule: MCULE-3682299332
PubChem: 46257639
AKOS (make-on-demand): AKOS001828251...6 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.9,-18.85,2,7,0, 420.874, 6

Similar to: 20857993, 20858124, 20858128,
15936966
 
#78

eMolecules: 17432374
Molport: MolPort-007-653-406
AKOS: AKOS001828156
Mcule: MCULE-1980649489
ChEMBL12: CHEMBL1503031...9 total

ref: mol2, SDF, SMILES, flexibase
2.11,5.32,-15.72,2,7,0, 386.429, 6

Similar to: 20858107, 20858111, 15936965, 10273323, 10273325, ... 7 in total.
15936965
 
#79

eMolecules: 17432374
Molport: MolPort-007-653-406
AKOS: AKOS001828156
Mcule: MCULE-1980649489
ChEMBL12: CHEMBL1503031...9 total

ref: mol2, SDF, SMILES, flexibase
2.11,5.35,-17.34,2,7,0, 386.429, 6

Similar to: 15936966, 20858107, 20858111,
8603492
 
#80

eMolecules: 17432372
Molport: MolPort-007-653-405
ChemDiv: C653-0228
Mcule: MCULE-4265301017
ChEMBL12: CHEMBL1590265...9 total

ref: mol2, SDF, SMILES, flexibase
3.29,7.07,-15.76,2,7,0, 468.453, 7

Similar to: 8603491,
8603491
 
#81

eMolecules: 17432372
Molport: MolPort-007-653-405
ChemDiv: C653-0228
Mcule: MCULE-4265301017
ChEMBL12: CHEMBL1590265...9 total

ref: mol2, SDF, SMILES, flexibase
3.29,7.1,-17.74,2,7,0, 468.453, 7

Similar to: 8603492,
20328840
 
#82

eMolecules: 17432370
Molport: MolPort-007-653-404
ChemDiv: C653-0227
Mcule: MCULE-1298662137
PubChem: 46257638...8 total

ref: mol2, SDF, SMILES, flexibase
4.54,8.88,-15.85,2,7,0, 474.554, 8
20328836
 
#83

eMolecules: 17432370
Molport: MolPort-007-653-404
ChemDiv: C653-0227
Mcule: MCULE-1298662137
PubChem: 46257638...8 total

ref: mol2, SDF, SMILES, flexibase
4.54,8.75,-15.74,2,7,0, 474.554, 8
20328831
 
#84

eMolecules: 17432368
Molport: MolPort-007-653-403
AKOS: AKOS001827880
ChemDiv: C653-0225
Mcule: MCULE-7132650347...7 total

ref: mol2, SDF, SMILES, flexibase
3.48,7.61,-16.07,2,7,0, 446.5, 7

Similar to: 10433679, 10433680,
20328826
 
#85

eMolecules: 17432368
Molport: MolPort-007-653-403
AKOS: AKOS001827880
ChemDiv: C653-0225
Mcule: MCULE-7132650347...7 total

ref: mol2, SDF, SMILES, flexibase
3.48,7.48,-16.03,2,7,0, 446.5, 7

Similar to: 10433679, 10433680,
20328822
 
#86

eMolecules: 17432366
Molport: MolPort-007-653-402
AKOS: AKOS001827879
ChemDiv: C653-0224
Mcule: MCULE-8111336172...7 total

ref: mol2, SDF, SMILES, flexibase
3.43,7.48,-18.7,2,7,0, 446.5, 7
20328817
 
#87

eMolecules: 17432366
Molport: MolPort-007-653-402
AKOS: AKOS001827879
ChemDiv: C653-0224
Mcule: MCULE-8111336172...7 total

ref: mol2, SDF, SMILES, flexibase
3.43,7.27,-18.74,2,7,0, 446.5, 7
20328811
 
#88

eMolecules: 17432364
Molport: MolPort-007-653-401
AKOS: AKOS001828349
ChemDiv: C653-0222
Mcule: MCULE-3491846713...8 total

ref: mol2, SDF, SMILES, flexibase
3.46,7.17,-16.79,2,8,0, 476.526, 9
20328805
 
#89

eMolecules: 17432364
Molport: MolPort-007-653-401
AKOS: AKOS001828349
ChemDiv: C653-0222
Mcule: MCULE-3491846713...8 total

ref: mol2, SDF, SMILES, flexibase
3.46,7.05,-16.76,2,8,0, 476.526, 9
20328800
 
#90

eMolecules: 17432362
Molport: MolPort-007-653-400
AKOS: AKOS001828249
ChemDiv: C653-0221
Mcule: MCULE-5838238954...8 total

ref: mol2, SDF, SMILES, flexibase
2.37,4.1,-19.24,3,9,0, 478.498, 8
20328795
 
#91

eMolecules: 17432362
Molport: MolPort-007-653-400
AKOS: AKOS001828249
ChemDiv: C653-0221
Mcule: MCULE-5838238954...8 total

ref: mol2, SDF, SMILES, flexibase
2.37,4.24,-20.24,3,9,0, 478.498, 8
20328790
 
#92

eMolecules: 17432360
Molport: MolPort-007-653-399
AKOS: AKOS001828155
ChemDiv: C653-0215
Mcule: MCULE-3336390683...7 total

ref: mol2, SDF, SMILES, flexibase
3.17,7.12,-17.87,2,7,0, 450.463, 7
20328786
 
#93

eMolecules: 17432360
Molport: MolPort-007-653-399
AKOS: AKOS001828155
ChemDiv: C653-0215
Mcule: MCULE-3336390683...7 total

ref: mol2, SDF, SMILES, flexibase
3.17,7.09,-18.42,2,7,0, 450.463, 7
8603490
 
#94

eMolecules: 17432358
Molport: MolPort-007-653-397
AKOS: AKOS001828065
ChemDiv: C653-0210
Mcule: MCULE-6076708623...8 total

ref: mol2, SDF, SMILES, flexibase
3.04,6.6,-15.92,2,8,0, 462.499, 8

Similar to: 8603489,
8603489
 
#95

eMolecules: 17432358
Molport: MolPort-007-653-397
AKOS: AKOS001828065
ChemDiv: C653-0210
Mcule: MCULE-6076708623...8 total

ref: mol2, SDF, SMILES, flexibase
3.04,6.6,-17.83,2,8,0, 462.499, 8

Similar to: 8603490,
20328781
 
#96

eMolecules: 17432356
Molport: MolPort-007-653-396
ChemDiv: C653-0206
Mcule: MCULE-7786382914
PubChem: 46257632...7 total

ref: mol2, SDF, SMILES, flexibase
3.71,7.46,-15.98,2,7,0, 466.918, 7
20328776
 
#97

eMolecules: 17432356
Molport: MolPort-007-653-396
ChemDiv: C653-0206
Mcule: MCULE-7786382914
PubChem: 46257632...7 total

ref: mol2, SDF, SMILES, flexibase
3.71,7.39,-15.97,2,7,0, 466.918, 7
20328772
 
#98

eMolecules: 17432354
Molport: MolPort-007-653-395
AKOS: AKOS001827974
ChemDiv: C653-0204
Mcule: MCULE-4359149174...7 total

ref: mol2, SDF, SMILES, flexibase
2.68,6.06,-19.04,2,9,0, 492.525, 9
20328769
 
#99

eMolecules: 17432354
Molport: MolPort-007-653-395
AKOS: AKOS001827974
ChemDiv: C653-0204
Mcule: MCULE-4359149174...7 total

ref: mol2, SDF, SMILES, flexibase
2.68,6.2,-20.74,2,9,0, 492.525, 9
20328765
 
#100

eMolecules: 17432352
Molport: MolPort-007-653-394
AKOS: AKOS001827878
ChemDiv: C653-0201
Mcule: MCULE-5670385870...8 total

ref: mol2, SDF, SMILES, flexibase
3.07,5.85,-19.18,2,9,0, 492.525, 9

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 = 405 ) limit 0,100

Smiles were