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

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19961402
 
#1

eMolecules: 30397154, 22035958
Molport: MolPort-005-977-505
AKOS: AKOS005584274, AKOS003168982
IBScreen: STOCK6S-79335
Innovapharm: STT-00394896...20 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.78,-18.58,3,7,0, 391.818, 3
mid: mol2, SDF, SMILES, flexibase
3.91,8.61,-38.09,2,7,-1, 390.81, 3
19961398
 
#2

eMolecules: 30397154, 22035958
Molport: MolPort-005-977-505
AKOS: AKOS005584274, AKOS003168982
IBScreen: STOCK6S-79335
Innovapharm: STT-00394896...21 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.9,-12.55,3,7,0, 391.818, 3
hi: mol2, SDF, SMILES, flexibase
3.91,8.19,-43.08,2,7,-1, 390.81, 3
19961410
 
#3

eMolecules: 30397154, 22035958
Molport: MolPort-005-977-505
AKOS: AKOS005584274, AKOS003168982
IBScreen: STOCK6S-79335
Innovapharm: STT-00394896...20 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.87,-16.24,3,7,0, 391.818, 3
mid: mol2, SDF, SMILES, flexibase
3.91,8.72,-40.63,2,7,-1, 390.81, 3
19961406
 
#4

eMolecules: 30397154, 22035958
Molport: MolPort-005-977-505
AKOS: AKOS005584274, AKOS003168982
IBScreen: STOCK6S-79335
Innovapharm: STT-00394896...20 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.78,-18.39,3,7,0, 391.818, 3
mid: mol2, SDF, SMILES, flexibase
3.91,8.61,-37.92,2,7,-1, 390.81, 3
20729999
 
#5

eMolecules: 24579747
AKOS: AKOS005584273
IBScreen: STOCK6S-70444
Innovapharm: STT-00400898
Mcule: MCULE-1423695432...9 total

ref: mol2, SDF, SMILES, flexibase
2.61,3.09,-9.49,0,7,0, 268.232, 3

Similar to: 32190182,
148556
 
#6

eMolecules: 5831331
Molport: MolPort-002-900-993
AKOS: AKOS005584272
IBScreen: STOCK6S-82163
Maybridge: HTS04723...13 total

ref: mol2, SDF, SMILES, flexibase
0.93,-0.4,-66.63,1,7,-1, 267.224, 3
2240296
 
#7

eMolecules: 4526757, 30397106
Molport: MolPort-002-590-720
AKOS: AKOS005584270
IBScreen: STOCK3S-74775
Mcule: MCULE-9185632592...15 total

ref: mol2, SDF, SMILES, flexibase
3.98,-1.42,-16.78,1,5,0, 351.793, 1

Similar to: 8743486,
31812464
 
#8

eMolecules: 27443350
Molport: MolPort-005-970-102, MolPort-008-317-579
AKOS: AKOS005584257
IBScreen: STOCK6S-75495
Mcule: MCULE-6153861339...12 total

ref: mol2, SDF, SMILES, flexibase
1.33,3.26,-50.87,3,9,1, 388.448, 9
hi: mol2, SDF, SMILES, flexibase
1.51,-1.53,-14.3,2,9,0, 387.44, 9
hi: mol2, SDF, SMILES, flexibase
1.33,1.17,-14.68,2,9,0, 387.44, 9

Similar to: 31816009,
36360589
 
#9

eMolecules: 29929175, 30397284
Molport: MolPort-008-317-561, MolPort-008-354-271
AKOS: AKOS005584255
IBScreen: STOCK6S-92518
Mcule: MCULE-1101578086...15 total

ref: mol2, SDF, SMILES, flexibase
3.92,8.33,-29.49,2,6,1, 414.485, 4
ref: mol2, SDF, SMILES, flexibase
3.27,9.69,-14.91,1,6,0, 413.477, 4

Similar to: 36353971, 36353973, 3671110, 3671111, ... 4 in total.
36360588
 
#10

eMolecules: 29929175, 30397284
Molport: MolPort-008-317-561, MolPort-008-354-271
AKOS: AKOS005584255
IBScreen: STOCK6S-92518
Mcule: MCULE-1101578086...14 total

ref: mol2, SDF, SMILES, flexibase
3.92,9.17,-28.45,2,6,1, 414.485, 4
ref: mol2, SDF, SMILES, flexibase
3.27,9.8,-16.39,1,6,0, 413.477, 4

Similar to: 36353971, 36353973, 3671110, 3671111, ... 4 in total.
31810629
 
#11

eMolecules: 27455266
Molport: MolPort-008-317-527
AKOS: AKOS005584252
IBScreen: STOCK6S-82965
Mcule: MCULE-4265840937...9 total

ref: mol2, SDF, SMILES, flexibase
2.15,10.2,-39.98,1,5,1, 351.405, 3
mid: mol2, SDF, SMILES, flexibase
2.15,9.92,-12.25,0,5,0, 350.397, 3
31815059
 
#12

eMolecules: 27452732, 46516930
Molport: MolPort-008-352-352
AKOS: AKOS005584244
IBScreen: STOCK6S-81350
Mcule: MCULE-6502330986...14 total

ref: mol2, SDF, SMILES, flexibase
2.06,6.84,-23.64,1,7,0, 344.396, 4
hi: mol2, SDF, SMILES, flexibase
2.13,5.94,-44.09,0,7,-1, 343.388, 4

Similar to: 31815056,
31815056
 
#13

eMolecules: 27452732, 46516930
Molport: MolPort-008-352-352
AKOS: AKOS005584244
IBScreen: STOCK6S-81350
Mcule: MCULE-6502330986...14 total

ref: mol2, SDF, SMILES, flexibase
2.06,6.85,-23.64,1,7,0, 344.396, 4
hi: mol2, SDF, SMILES, flexibase
2.13,5.94,-44.09,0,7,-1, 343.388, 4

Similar to: 31815059,
31820450
 
#14

eMolecules: 27457896, 30397150
Molport: MolPort-008-352-919
AKOS: AKOS005584240
IBScreen: STOCK6S-84609
Mcule: MCULE-6654032059...10 total

ref: mol2, SDF, SMILES, flexibase
2.94,2.41,-55.84,1,7,-1, 399.228, 2
ref: mol2, SDF, SMILES, flexibase
2.75,5.1,-53.04,1,7,-1, 399.228, 2
lo: mol2, SDF, SMILES, flexibase
2.48,4.28,-14.53,2,7,0, 400.236, 2
lo: mol2, SDF, SMILES, flexibase
2.30,6.92,-15.44,2,7,0, 400.236, 2

Similar to: 31820454,
31820454
 
#15

eMolecules: 27457896, 30397150
Molport: MolPort-008-352-919
AKOS: AKOS005584240
IBScreen: STOCK6S-84609
Mcule: MCULE-6654032059...11 total

ref: mol2, SDF, SMILES, flexibase
2.94,2.16,-50.92,1,7,-1, 399.228, 2
ref: mol2, SDF, SMILES, flexibase
2.75,4.91,-46.27,1,7,-1, 399.228, 2
lo: mol2, SDF, SMILES, flexibase
2.48,4.04,-11.75,2,7,0, 400.236, 2
lo: mol2, SDF, SMILES, flexibase
2.30,6.72,-11.4,2,7,0, 400.236, 2

Similar to: 31820450,
6733543
 
#16

eMolecules: 30397130, 4635445
Molport: MolPort-002-624-473, MolPort-008-317-431
AKOS: AKOS005584238
IBScreen: STOCK4S-86747
Mcule: MCULE-1508447862...18 total

ref: mol2, SDF, SMILES, flexibase
2.13,4.54,-36.85,0,5,-1, 256.694, 4
mid: mol2, SDF, SMILES, flexibase
2.13,5.06,-7.41,1,5,0, 257.702, 4
32106375
 
#17

eMolecules: 27460286
AKOS: AKOS005584237
IBScreen: STOCK6S-86106
Mcule: MCULE-5306920389
Pharmeks: PHAR245608...10 total

ref: mol2, SDF, SMILES, flexibase
4.14,11.5,-46.94,2,6,0, 461.587, 8

Similar to: 32106372,
32106372
 
#18

eMolecules: 27460286
AKOS: AKOS005584237
IBScreen: STOCK6S-86106
Mcule: MCULE-5306920389
Pharmeks: PHAR245608...10 total

ref: mol2, SDF, SMILES, flexibase
4.14,11.64,-48.3,2,6,0, 461.587, 8

Similar to: 32106375,
36353793
 
#19

eMolecules: 29921035
Molport: MolPort-008-317-403
AKOS: AKOS005584235
IBScreen: STOCK6S-87021
Mcule: MCULE-2810884503...11 total

ref: mol2, SDF, SMILES, flexibase
1.68,10.46,-95.95,1,6,-1, 301.322, 4

Similar to: 36353792,
36353792
 
#20

eMolecules: 29921035
Molport: MolPort-008-317-403
AKOS: AKOS005584235
IBScreen: STOCK6S-87021
Mcule: MCULE-2810884503...11 total

ref: mol2, SDF, SMILES, flexibase
1.68,10.45,-93.13,1,6,-1, 301.322, 4

Similar to: 36353793,
31814609
 
#21

eMolecules: 27450976, 30397388
Molport: MolPort-008-352-156
AKOS: AKOS005584232
IBScreen: STOCK6S-80239
Life Chemicals Building Blocks: F2130-0156...16 total

ref: mol2, SDF, SMILES, flexibase
2.68,5.13,-16.34,1,3,0, 281.134, 1
hi: mol2, SDF, SMILES, flexibase
3.13,4.06,-39.75,0,3,-1, 280.126, 1
8666452
 
#22

eMolecules: 4374022, 30397386
Molport: MolPort-008-317-644, MolPort-002-539-036
AKOS: AKOS005584231
IBScreen: STOCK1S-08653
Mcule: MCULE-3334831520...18 total

ref: mol2, SDF, SMILES, flexibase
1.78,8.47,-62.22,2,8,-1, 389.391, 4
31813550
 
#23

eMolecules: 46516970, 27447092
Molport: MolPort-008-351-734, MolPort-008-317-626
AKOS: AKOS005584230
IBScreen: STOCK6S-77800
Pharmeks: PHAR238357...10 total

ref: mol2, SDF, SMILES, flexibase
3.44,9.74,-28.85,1,7,0, 397.456, 4
hi: mol2, SDF, SMILES, flexibase
3.63,8.68,-56.61,0,7,-1, 396.448, 4
36357055
 
#24

eMolecules: 29922819
Molport: MolPort-008-317-578
AKOS: AKOS005584224
IBScreen: STOCK6S-88235
Mcule: MCULE-2666525575...11 total

ref: mol2, SDF, SMILES, flexibase
1.86,15.52,-61.68,1,9,-1, 442.883, 6
32074222
 
#25

eMolecules: 27446266, 30397280
Molport: MolPort-008-351-648
AKOS: AKOS005584222
IBScreen: STOCK6S-77280
Mcule: MCULE-1668359942...11 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.67,-20.36,2,8,0, 358.398, 6
32072248
 
#26

eMolecules: 27444628
AKOS: AKOS005584217
IBScreen: STOCK6S-76272
Mcule: MCULE-2042615253
Pharmeks: PHAR234596...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,9.71,-42.58,2,6,0, 448.35, 7
32072246
 
#27

eMolecules: 27444628
AKOS: AKOS005584217
IBScreen: STOCK6S-76272
Mcule: MCULE-2042615253
Pharmeks: PHAR234596...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,9.84,-42.06,2,6,0, 448.35, 7
36359746
 
#28

eMolecules: 29927667, 30397212
Molport: MolPort-008-354-093, MolPort-008-317-497
AKOS: AKOS005584215
IBScreen: STOCK6S-91500
Mcule: MCULE-7083769197...13 total

ref: mol2, SDF, SMILES, flexibase
4.08,5.7,-57.07,2,6,-1, 423.857, 2
ref: mol2, SDF, SMILES, flexibase
3.89,8.31,-51.5,2,6,-1, 423.857, 2

Similar to: 12376930, 12376931, 12376926, 12376927, 15081452, ... 9 in total.
36359745
 
#29

eMolecules: 29927667, 30397212
Molport: MolPort-008-354-093, MolPort-008-317-497
AKOS: AKOS005584215
IBScreen: STOCK6S-91500
Mcule: MCULE-7083769197...13 total

ref: mol2, SDF, SMILES, flexibase
4.08,5.69,-56.89,2,6,-1, 423.857, 2
ref: mol2, SDF, SMILES, flexibase
3.89,8.3,-51.17,2,6,-1, 423.857, 2

Similar to: 12376930, 12376931, 12376926, 12376927, 15081452, ... 9 in total.
31772745
 
#30

eMolecules: 27449360
Molport: MolPort-008-317-480
AKOS: AKOS005584213
IBScreen: STOCK6S-79227
Mcule: MCULE-5893197226...13 total

ref: mol2, SDF, SMILES, flexibase
-0.60,-0.61,-62.62,2,8,1, 411.547, 7
hi: mol2, SDF, SMILES, flexibase
-0.60,-3.14,-24.64,1,8,0, 410.539, 7

Similar to: 31772742,
31772742
 
#31

eMolecules: 27449360
Molport: MolPort-008-317-480
AKOS: AKOS005584213
IBScreen: STOCK6S-79227
Mcule: MCULE-5893197226...13 total

ref: mol2, SDF, SMILES, flexibase
-0.60,-0.58,-59.66,2,8,1, 411.547, 7
hi: mol2, SDF, SMILES, flexibase
-0.60,-3.11,-26.51,1,8,0, 410.539, 7

Similar to: 31772745,
8654328
 
#32

eMolecules: 30397174, 4647476
Molport: MolPort-002-629-379, MolPort-008-317-467
AKOS: AKOS005584212
IBScreen: STOCK5S-02842
Mcule: MCULE-1726547294...13 total

ref: mol2, SDF, SMILES, flexibase
3.53,6.86,-43.43,1,6,-1, 419.328, 5
36358269
 
#33

eMolecules: 29924943
Molport: MolPort-008-317-448
AKOS: AKOS005584209
IBScreen: STOCK6S-89677
Mcule: MCULE-2345137335...11 total

ref: mol2, SDF, SMILES, flexibase
1.43,11.95,-65.83,1,6,-1, 365.406, 6
hi: mol2, SDF, SMILES, flexibase
1.43,10.09,-95.67,0,6,-2, 364.398, 6

Similar to: 36358268,
36358268
 
#34

eMolecules: 29924943
Molport: MolPort-008-317-448
AKOS: AKOS005584209
IBScreen: STOCK6S-89677
Mcule: MCULE-2345137335...11 total

ref: mol2, SDF, SMILES, flexibase
1.43,11.96,-62.78,1,6,-1, 365.406, 6
hi: mol2, SDF, SMILES, flexibase
1.43,10.06,-92.64,0,6,-2, 364.398, 6

Similar to: 36358269,
36365209
 
#35

eMolecules: 29930299
Molport: MolPort-008-317-430
AKOS: AKOS005584208
IBScreen: STOCK6S-93286
Mcule: MCULE-6658051674...12 total

ref: mol2, SDF, SMILES, flexibase
0.02,9.61,-79.91,1,9,-1, 399.427, 8
mid: mol2, SDF, SMILES, flexibase
0.02,7.58,-118.88,0,9,-2, 398.419, 8

Similar to: 36365208,
36365208
 
#36

eMolecules: 29930299
Molport: MolPort-008-317-430
AKOS: AKOS005584208
IBScreen: STOCK6S-93286
Mcule: MCULE-6658051674...12 total

ref: mol2, SDF, SMILES, flexibase
0.02,9.67,-67.85,1,9,-1, 399.427, 8
mid: mol2, SDF, SMILES, flexibase
0.02,7.66,-109.62,0,9,-2, 398.419, 8

Similar to: 36365209,
4888241
 
#37

eMolecules: 30397128, 4472909
Molport: MolPort-002-575-671
AKOS: AKOS005584207
IBScreen: STOCK2S-98874
Mcule: MCULE-2636147604...12 total

ref: mol2, SDF, SMILES, flexibase
3.44,-2.58,-12.3,3,6,0, 364.467, 6

Similar to: 5573477, 5573481, 634905, 4888238, 634908, ... 5 in total.
4888238
 
#38

eMolecules: 30397128, 4472909
Molport: MolPort-002-575-671
AKOS: AKOS005584207
IBScreen: STOCK2S-98874
Mcule: MCULE-2636147604...12 total

ref: mol2, SDF, SMILES, flexibase
3.44,-2.55,-12.05,3,6,0, 364.467, 6

Similar to: 4888241, 5573477, 5573481,
32095388
 
#39

eMolecules: 27452978
Molport: MolPort-008-317-414
AKOS: AKOS005584206
IBScreen: STOCK6S-81501
Mcule: MCULE-5463977180...10 total

ref: mol2, SDF, SMILES, flexibase
3.66,9.24,-19.56,2,7,0, 429.524, 6
32089341
 
#40

eMolecules: 27448066
AKOS: AKOS005584205
IBScreen: STOCK6S-78422
Mcule: MCULE-4044572864
Pharmeks: PHAR228113...8 total

ref: mol2, SDF, SMILES, flexibase
2.67,6.01,-20.62,3,4,0, 289.385, 2
5454338
 
#41

eMolecules: 4645652, 30397384
Molport: MolPort-002-628-639, MolPort-008-317-643
AKOS: AKOS005584202
IBScreen: STOCK5S-00374
Mcule: MCULE-4827823478...14 total

ref: mol2, SDF, SMILES, flexibase
3.66,6.73,-41.56,0,6,-1, 405.253, 4
hi: mol2, SDF, SMILES, flexibase
3.66,7.19,-13.21,1,6,0, 406.261, 4
lo: mol2, SDF, SMILES, flexibase
3.66,7.42,-43.77,2,6,1, 407.269, 4
lo: mol2, SDF, SMILES, flexibase
3.66,7.9,-113.18,3,6,2, 408.277, 4
31818939
 
#42

eMolecules: 27451558, 30397302
Molport: MolPort-008-352-220
AKOS: AKOS005584194
IBScreen: STOCK6S-80594
Mcule: MCULE-7360879609...10 total

ref: mol2, SDF, SMILES, flexibase
0.84,0.02,-56.76,1,8,-1, 321.32, 2
ref: mol2, SDF, SMILES, flexibase
0.66,2.72,-53.87,1,8,-1, 321.32, 2
lo: mol2, SDF, SMILES, flexibase
0.84,0.48,-75.94,2,8,0, 322.328, 2
lo: mol2, SDF, SMILES, flexibase
0.38,2.36,-47.81,3,8,1, 323.336, 2
lo: mol2, SDF, SMILES, flexibase
0.38,1.9,-15.86,2,8,0, 322.328, 2
lo: mol2, SDF, SMILES, flexibase
0.20,4.54,-16.63,2,8,0, 322.328, 2
lo: mol2, SDF, SMILES, flexibase
0.20,5,-48.09,3,8,1, 323.336, 2
lo: mol2, SDF, SMILES, flexibase
0.66,3.18,-72.27,2,8,0, 322.328, 2

Similar to: 31818941,
31818941
 
#43

eMolecules: 27451558, 30397302
Molport: MolPort-008-352-220
AKOS: AKOS005584194
IBScreen: STOCK6S-80594
Mcule: MCULE-7360879609...10 total

ref: mol2, SDF, SMILES, flexibase
0.84,-0.21,-51.74,1,8,-1, 321.32, 2
ref: mol2, SDF, SMILES, flexibase
0.66,2.52,-46.92,1,8,-1, 321.32, 2
lo: mol2, SDF, SMILES, flexibase
0.84,0.24,-81.97,2,8,0, 322.328, 2
lo: mol2, SDF, SMILES, flexibase
0.38,2.13,-51.09,3,8,1, 323.336, 2
lo: mol2, SDF, SMILES, flexibase
0.38,1.67,-12.79,2,8,0, 322.328, 2
lo: mol2, SDF, SMILES, flexibase
0.20,4.34,-12.3,2,8,0, 322.328, 2
lo: mol2, SDF, SMILES, flexibase
0.20,4.8,-52.13,3,8,1, 323.336, 2
lo: mol2, SDF, SMILES, flexibase
0.66,2.98,-78.51,2,8,0, 322.328, 2

Similar to: 31818939,
36358522
 
#44

eMolecules: 46516953, 29925409
Molport: MolPort-008-317-577, MolPort-008-353-845
AKOS: AKOS005584193
IBScreen: STOCK6S-89973
Mcule: MCULE-9019229892...14 total

ref: mol2, SDF, SMILES, flexibase
1.47,5.71,-20.78,1,6,0, 302.359, 4
hi: mol2, SDF, SMILES, flexibase
1.54,4.46,-58.83,0,6,-1, 301.351, 4
2804398
 
#45

eMolecules: 4098301
Molport: MolPort-001-657-023
AKOS: AKOS003975659
Mcule: MCULE-6654786449
Princeton BioMolecular Research: OSSL_022804...12 total

ref: mol2, SDF, SMILES, flexibase
2.17,-0.9,-16.12,1,8,0, 416.841, 6
hi: mol2, SDF, SMILES, flexibase
2.17,-0.34,-48.19,0,8,-1, 415.833, 6

Similar to: 14251031, 14251036, 14251193, 14251199, ... 4 in total.
2804249
 
#46

eMolecules: 4098299
AKOS: AKOS003975658
Mcule: MCULE-9008997071
Princeton BioMolecular Research: OSSL_582110
TimTec: ST45085897...11 total

ref: mol2, SDF, SMILES, flexibase
2.20,-0.84,-17.34,1,8,0, 416.841, 6
hi: mol2, SDF, SMILES, flexibase
2.20,-0.28,-49.13,0,8,-1, 415.833, 6

Similar to: 14250734,
2803521
 
#47

eMolecules: 4097971
Molport: MolPort-001-656-457
AKOS: AKOS003975653
Mcule: MCULE-8686473771
Princeton BioMolecular Research: OSSL_022565...11 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-8.96,-19.69,1,10,0, 416.529, 5

Similar to: 14252897,
17091303
 
#48

eMolecules: 46450767
Molport: MolPort-004-965-183
AKOS: AKOS003975652
Alinda: IVK/8079686
American Custom Chemicals Corp.: HCH0215233...14 total

ref: mol2, SDF, SMILES, flexibase
3.28,5.77,-16,2,6,0, 418.169, 5

Similar to: 20159016,
2803216
 
#49

eMolecules: 4099699
AKOS: AKOS003975651
Mcule: MCULE-6677909134
Princeton BioMolecular Research: OSSL_581463
TimTec: ST45084908...10 total

ref: mol2, SDF, SMILES, flexibase
3.68,2.79,-13.13,0,6,0, 418.141, 4

Similar to: 4502598,
1057310
 
#50

eMolecules: 1817427
Molport: MolPort-002-282-872
Scientific Exchange (make on demand): F-018118
AKOS: AKOS003975635
ChemBridge: 7929398...14 total

ref: mol2, SDF, SMILES, flexibase
4.60,-3.54,-9.82,1,4,0, 417.268, 4

Similar to: 6553295, 34828308,
17090948
 
#51

eMolecules: 4098582
AKOS: AKOS003975631
Mcule: MCULE-4764909763
Princeton BioMolecular Research: OSSK_081498
TimTec: ST45168207...9 total

ref: mol2, SDF, SMILES, flexibase
3.87,7.54,-11.23,2,5,0, 417.206, 4
22438442
 
#52

eMolecules: 4098450
AKOS: AKOS003975629
Mcule: MCULE-5676854703
Princeton BioMolecular Research: OSSL_576336
Vitas-M: STL390962...12 total

ref: mol2, SDF, SMILES, flexibase
2.14,8.71,-26.72,1,8,0, 416.913, 6

Similar to: 6399541, 6399554,
22438438
 
#53

eMolecules: 4098450
AKOS: AKOS003975629
Mcule: MCULE-5676854703
Princeton BioMolecular Research: OSSL_576336
Vitas-M: STL390962...12 total

ref: mol2, SDF, SMILES, flexibase
2.14,8.71,-26.67,1,8,0, 416.913, 6

Similar to: 6399541, 6399554,
689202
 
#54

eMolecules: 4098339
Molport: MolPort-002-796-540
AKOS: AKOS003975627
Mcule: MCULE-9529186882
Princeton BioMolecular Research: OSSL_689478...12 total

ref: mol2, SDF, SMILES, flexibase
4.27,9.16,-13.98,1,5,0, 416.856, 4

Similar to: 689203, 2781546, 2782585, 2782586, 2782587, ... 6 in total.
689203
 
#55

eMolecules: 4098339
Molport: MolPort-002-796-540
AKOS: AKOS003975627
Mcule: MCULE-9529186882
Princeton BioMolecular Research: OSSL_689478...12 total

ref: mol2, SDF, SMILES, flexibase
4.27,9.16,-13.96,1,5,0, 416.856, 4

Similar to: 2781546, 2782585, 2782586, 2782587, 2782588, ... 6 in total.
2804386
 
#56

eMolecules: 4098297
AKOS: AKOS003975626
Mcule: MCULE-6958773309
Princeton BioMolecular Research: OSSL_582183
TimTec: ST45086027...11 total

ref: mol2, SDF, SMILES, flexibase
2.15,-0.93,-14,1,8,0, 416.841, 6
hi: mol2, SDF, SMILES, flexibase
2.15,-0.37,-47.42,0,8,-1, 415.833, 6

Similar to: 14250665, 14250802, 14250807, 14251428, ... 4 in total.
2799796
 
#57

eMolecules: 4099449
AKOS: AKOS003975610
Mcule: MCULE-5379333674
Princeton BioMolecular Research: OSSL_580494
TimTec: ST45083052...10 total

ref: mol2, SDF, SMILES, flexibase
3.41,6.52,-9.75,1,6,0, 417.746, 6
2761129
 
#58

eMolecules: 4099163
AKOS: AKOS003975606
Mcule: MCULE-2629843959
Princeton BioMolecular Research: OSSK_043527
Vitas-M: STL394310...11 total

ref: mol2, SDF, SMILES, flexibase
6.97,1.63,-10.91,1,5,0, 417.516, 5
17090963
 
#59

eMolecules: 44239698
Molport: MolPort-019-186-809
AKOS: AKOS003975595
Mcule: MCULE-7256431448
Princeton BioMolecular Research: OSSL_786315...10 total

ref: mol2, SDF, SMILES, flexibase
6.56,11.5,-9.8,1,3,0, 417.292, 3

Similar to: 12375367, 17090962, 16545489, 8831835, 13946066, ... 9 in total.
13959742
 
#60

eMolecules: 4098580
Molport: MolPort-002-755-920
AKOS: AKOS003975591
Mcule: MCULE-5362717836
Princeton BioMolecular Research: OSSL_018601...11 total

ref: mol2, SDF, SMILES, flexibase
3.21,3.88,-11.73,2,6,0, 417.185, 3
mid: mol2, SDF, SMILES, flexibase
3.21,4.21,-55.97,1,6,-1, 416.177, 3
13959743
 
#61

eMolecules: 4098580
Molport: MolPort-002-755-920
AKOS: AKOS003975591
Mcule: MCULE-5362717836
Princeton BioMolecular Research: OSSL_018601...11 total

ref: mol2, SDF, SMILES, flexibase
3.21,3.84,-11.67,2,6,0, 417.185, 3
mid: mol2, SDF, SMILES, flexibase
3.21,4.21,-55.98,1,6,-1, 416.177, 3
651549
 
#62

eMolecules: 4099561
Molport: MolPort-001-642-125
AKOS: AKOS003975570
Mcule: MCULE-4189082528
Princeton BioMolecular Research: OSSK_040917...12 total

ref: mol2, SDF, SMILES, flexibase
5.30,0.87,-13.73,1,5,0, 417.896, 7
20045431
 
#63

eMolecules: 4099081
Molport: MolPort-001-658-679
AKOS: AKOS003975563
Mcule: MCULE-7087959888
Princeton BioMolecular Research: OSSL_023832...12 total

ref: mol2, SDF, SMILES, flexibase
1.32,3.76,-16.95,0,9,0, 417.491, 5
667374
 
#64

eMolecules: 1814393
Molport: MolPort-002-814-429
Scientific Exchange (make on demand): F-017250
AKOS: AKOS003975559
Mcule: MCULE-5599950745...17 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.39,-20.56,1,8,0, 417.487, 5

Similar to: 14398998, 19886518, 27973395,
2782547
 
#65

eMolecules: 4098815
Molport: MolPort-001-647-741
AKOS: AKOS003975556
Mcule: MCULE-4578807018
Princeton BioMolecular Research: OSSK_404179...11 total

ref: mol2, SDF, SMILES, flexibase
4.03,11,-15.08,2,4,0, 417.376, 7

Similar to: 6959553, 7099187,
695702
 
#66

eMolecules: 26782666
Molport: MolPort-019-743-082
AKOS: AKOS003975552
American Custom Chemicals Corp.: HCH0195115
Mcule: MCULE-8170725409...19 total

ref: mol2, SDF, SMILES, flexibase
3.81,7.65,-17.02,1,7,0, 417.263, 7
655746
 
#67

eMolecules: 4098578
Molport: MolPort-001-643-694
AKOS: AKOS003975549
Mcule: MCULE-2413038768
Princeton BioMolecular Research: OSSL_015754...13 total

ref: mol2, SDF, SMILES, flexibase
4.29,1.64,-15.76,0,1,0, 417.16, 5
2740955
 
#68

eMolecules: 4098482
AKOS: AKOS003975546
Mcule: MCULE-3149393661
Princeton BioMolecular Research: OSSL_587237
Zelinsky Institute: UZI/1727921...8 total

ref: mol2, SDF, SMILES, flexibase
4.16,10.48,-16.17,2,6,0, 416.934, 8
17091052
 
#69

eMolecules: 4098977
AKOS: AKOS003975519
Mcule: MCULE-1085230113
Princeton BioMolecular Research: OSSL_589572
TimTec: ST45099435...9 total

ref: mol2, SDF, SMILES, flexibase
1.73,7.28,-15.08,2,9,0, 417.473, 5
32575572
 
#70

eMolecules: 46455543
Molport: MolPort-008-266-195
AKOS: AKOS003975510
Alinda: IVK/4000464
Mcule: MCULE-7921893861...10 total

ref: mol2, SDF, SMILES, flexibase
4.81,7.45,-13.7,2,6,0, 416.934, 6
hi: mol2, SDF, SMILES, flexibase
4.81,7.68,-49.38,1,6,-1, 415.926, 6

Similar to: 17079403, 17082580, 17090912,
2782411
 
#71

eMolecules: 4099799
Molport: MolPort-002-754-561
AKOS: AKOS003975500
Mcule: MCULE-4990568532
Princeton BioMolecular Research: OSSL_017703...12 total

ref: mol2, SDF, SMILES, flexibase
2.53,1.54,-20.17,1,6,0, 418.286, 6

Similar to: 2780446, 2780447, 2780448, 2780449, 2780959, ... 12 in total.
2782410
 
#72

eMolecules: 4099799
Molport: MolPort-002-754-561
AKOS: AKOS003975500
Mcule: MCULE-4990568532
Princeton BioMolecular Research: OSSL_017703...12 total

ref: mol2, SDF, SMILES, flexibase
2.53,7.31,-19.85,1,6,0, 418.286, 6

Similar to: 2782411, 2780446, 2780447, 2780448, 2780449, ... 12 in total.
2782409
 
#73

eMolecules: 4099799
Molport: MolPort-002-754-561
AKOS: AKOS003975500
Mcule: MCULE-4990568532
Princeton BioMolecular Research: OSSL_017703...12 total

ref: mol2, SDF, SMILES, flexibase
2.53,1.54,-19.88,1,6,0, 418.286, 6

Similar to: 2782410, 2782411, 2780446, 2780447, 2780448, ... 12 in total.
2782408
 
#74

eMolecules: 4099799
Molport: MolPort-002-754-561
AKOS: AKOS003975500
Mcule: MCULE-4990568532
Princeton BioMolecular Research: OSSL_017703...12 total

ref: mol2, SDF, SMILES, flexibase
2.53,7.33,-20.11,1,6,0, 418.286, 6

Similar to: 2782409, 2782410, 2782411,
2791463
 
#75

eMolecules: 4099625
AKOS: AKOS003975498
Mcule: MCULE-4033858079
Princeton BioMolecular Research: OSSL_577682
TimTec: ST45077431...10 total

ref: mol2, SDF, SMILES, flexibase
3.01,1.11,-14.54,0,8,0, 417.926, 4

Similar to: 2791950, 2790344, 2791005, 2791025, 2791039, ... 5 in total.
2794465
 
#76

eMolecules: 4099623
AKOS: AKOS003975497
Mcule: MCULE-9069440575
Princeton BioMolecular Research: OSSL_578808
TimTec: ST45079743...10 total

ref: mol2, SDF, SMILES, flexibase
4.12,8.73,-16.86,1,7,0, 417.922, 9

Similar to: 2794685,
1009248
 
#77

eMolecules: 4099557
Molport: MolPort-001-641-183
AKOS: AKOS003975495
Mcule: MCULE-1451659380
Princeton BioMolecular Research: OSSK_038896...11 total

ref: mol2, SDF, SMILES, flexibase
5.18,0.84,-16.77,1,5,0, 417.896, 7

Similar to: 9674616,
2774880
 
#78

eMolecules: 4098893
Molport: MolPort-001-644-997
AKOS: AKOS003975483
Mcule: MCULE-6805362865
Princeton BioMolecular Research: OSSL_016197...11 total

ref: mol2, SDF, SMILES, flexibase
2.16,-2.71,-24.35,3,7,0, 417.441, 5
2794199
 
#79

eMolecules: 4098738
Molport: MolPort-001-652-794
AKOS: AKOS003975480
Mcule: MCULE-5359631943
Princeton BioMolecular Research: OSSL_020339...11 total

ref: mol2, SDF, SMILES, flexibase
3.06,8.16,-18.3,1,8,0, 417.326, 5
2749370
 
#80

eMolecules: 4099535
Molport: MolPort-001-641-456
AKOS: AKOS003975464
Mcule: MCULE-5136841422
Princeton BioMolecular Research: OSSK_039388...11 total

ref: mol2, SDF, SMILES, flexibase
5.15,11.95,-14.7,1,5,0, 417.896, 7

Similar to: 9674366,
2798985
 
#81

eMolecules: 4098953
Molport: MolPort-001-654-784
AKOS: AKOS003975452
Mcule: MCULE-7198802601
Princeton BioMolecular Research: OSSL_021648...11 total

ref: mol2, SDF, SMILES, flexibase
5.13,1.75,-20.42,1,7,0, 417.465, 6
2768010
 
#82

eMolecules: 4098572
Molport: MolPort-001-679-454
AKOS: AKOS003975448
Mcule: MCULE-9077657975
Princeton BioMolecular Research: OSSL_029125...13 total

ref: mol2, SDF, SMILES, flexibase
3.06,3.37,-8.24,1,4,0, 417.075, 2
2733024
 
#83

eMolecules: 4098147
Molport: MolPort-001-660-522
AKOS: AKOS003975440
Mcule: MCULE-4660680226
Princeton BioMolecular Research: OSSL_026371...12 total

ref: mol2, SDF, SMILES, flexibase
3.25,-0.1,-23.66,2,6,0, 416.554, 8

Similar to: 3628593, 3628608, 6629432, 13752615, ... 4 in total.
17090830
 
#84

eMolecules: 4098145
AKOS: AKOS003975439
Mcule: MCULE-8555567648
Princeton BioMolecular Research: OSSL_589375
TimTec: ST45099148...9 total

ref: mol2, SDF, SMILES, flexibase
4.62,14.41,-12.41,0,6,0, 416.554, 6

Similar to: 13960957,
2795350
 
#85

eMolecules: 4099809
AKOS: AKOS003975431
Mcule: MCULE-5455136889
Princeton BioMolecular Research: OSSL_020696
TimTec: ST45080194...9 total

ref: mol2, SDF, SMILES, flexibase
3.75,1.28,-14.83,0,6,0, 418.291, 7
656499
 
#86

eMolecules: 4099575
Molport: MolPort-019-789-106, MolPort-001-673-807
AKOS: AKOS003975430
Mcule: MCULE-8616827681
Princeton BioMolecular Research: OSSK_071789...15 total

ref: mol2, SDF, SMILES, flexibase
4.13,0.17,-20.92,1,6,0, 417.9, 5
651363
 
#87

eMolecules: 4099531
Molport: MolPort-001-641-887
AKOS: AKOS003975428
Mcule: MCULE-3417871306
Princeton BioMolecular Research: OSSK_040527...14 total

ref: mol2, SDF, SMILES, flexibase
5.13,0.88,-16.25,1,5,0, 417.896, 7

Similar to: 26259423,
2760396
 
#88

eMolecules: 4099529
AKOS: AKOS003975427
Mcule: MCULE-6218953373
Princeton BioMolecular Research: OSSK_040485
TimTec: ST45062592...10 total

ref: mol2, SDF, SMILES, flexibase
4.51,0.47,-16,1,5,0, 417.896, 7
17091105
 
#89

eMolecules: 25973777
Molport: MolPort-001-568-089
AKOS: AKOS003975424
Alinda: IVK/9155565
Mcule: MCULE-9144108892...15 total

ref: mol2, SDF, SMILES, flexibase
4.75,10.59,-17.85,2,6,0, 417.509, 6

Similar to: 5440318,
4122885
 
#90

eMolecules: 46414167
Molport: MolPort-002-341-891
AKOS: AKOS003975421
Mcule: MCULE-7198028217
Vitas-M: STK386091...12 total

ref: mol2, SDF, SMILES, flexibase
3.15,-0.58,-22.12,2,7,0, 417.446, 6

Similar to: 34387459,
20045032
 
#91

eMolecules: 4098805
Molport: MolPort-001-657-239
AKOS: AKOS003975420
Mcule: MCULE-5614149579
Princeton BioMolecular Research: OSSL_022925...14 total

ref: mol2, SDF, SMILES, flexibase
2.78,5.14,-11.96,0,6,0, 417.362, 5

Similar to: 36614460, 36614473, 36614747,
2798254
 
#92

eMolecules: 4098674
AKOS: AKOS003975417
Mcule: MCULE-7982972076
Princeton BioMolecular Research: OSSL_579782
TimTec: ST45081849...10 total

ref: mol2, SDF, SMILES, flexibase
3.31,-2.91,-10.53,2,6,0, 417.296, 6

Similar to: 2802272, 6682299, 27802,
10060054
 
#93

eMolecules: 2514930
Molport: MolPort-002-296-128
AKOS: AKOS003975411
ChemBridge: 7974724
Mcule: MCULE-6137022897...14 total

ref: mol2, SDF, SMILES, flexibase
5.23,-1.94,-13.43,2,5,0, 416.662, 3
17090829
 
#94

eMolecules: 4098143
AKOS: AKOS003975410
Mcule: MCULE-5397986354
Princeton BioMolecular Research: OSSL_589396
TimTec: ST45099181...9 total

ref: mol2, SDF, SMILES, flexibase
4.27,14.19,-11.1,0,6,0, 416.554, 6
2764249
 
#95

eMolecules: 4099805
Molport: MolPort-001-678-360
AKOS: AKOS003975406
Mcule: MCULE-9684984342
Princeton BioMolecular Research: OSSK_080798...11 total

ref: mol2, SDF, SMILES, flexibase
3.26,-0.52,-13.84,1,6,0, 418.291, 6
32704825
 
#96

eMolecules: 4099615
AKOS: AKOS003975405
Mcule: MCULE-6153860061
Ryan Scientific (Depleted): 003-30809
Specs: AK-968/40627291...11 total

ref: mol2, SDF, SMILES, flexibase
6.48,12.95,-17.73,1,4,0, 417.921, 3

Similar to: 4229161, 8399667,
2731247
 
#97

eMolecules: 4099571
AKOS: AKOS003975403
Mcule: MCULE-2799972330
Princeton BioMolecular Research: OSSL_585094
TimTec: ST45090752...11 total

ref: mol2, SDF, SMILES, flexibase
4.08,10.69,-12.5,1,7,0, 417.901, 6
2731246
 
#98

eMolecules: 4099571
AKOS: AKOS003975403
Mcule: MCULE-2799972330
Princeton BioMolecular Research: OSSL_585094
TimTec: ST45090752...11 total

ref: mol2, SDF, SMILES, flexibase
4.08,1.53,-12.48,1,7,0, 417.901, 6
2730104
 
#99

eMolecules: 4099569
AKOS: AKOS003975402
Mcule: MCULE-1388435440
Princeton BioMolecular Research: OSSL_584805
TimTec: ST45090162...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,10.68,-15.58,1,7,0, 417.901, 6
2730103
 
#100

eMolecules: 4099569
AKOS: AKOS003975402
Mcule: MCULE-1388435440
Princeton BioMolecular Research: OSSL_584805
TimTec: ST45090162...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,1.44,-15.59,1,7,0, 417.901, 6

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 = 781 ) limit 0,100

Smiles were