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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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18249417
 
#1

eMolecules: 1218115
Scientific Exchange (make on demand): X-025089
AKOS: AKOS000616190
Asinex: BAS00416499
ChemBridge: 5470403...18 total

ref: mol2, SDF, SMILES, flexibase
4.49,12.17,-11.64,0,6,0, 516.347, 2

Similar to: 4119504,
20031600
 
#2

eMolecules: 15802978
Molport: MolPort-002-815-663
Mcule: MCULE-7103451724
Ryan Scientific (Depleted): 002-96525
Specs: AI-204/31720014...8 total

ref: mol2, SDF, SMILES, flexibase
2.96,5.41,-8.05,2,4,0, 326.581, 3
9365179
 
#3

eMolecules: 13427454
Molport: MolPort-009-015-436
Scientific Exchange (make on demand): F-310058
Enamine: Z71388564
Mcule: MCULE-7815161719...12 total

ref: mol2, SDF, SMILES, flexibase
3.58,0.63,-15.11,1,3,0, 276.339, 3
lo: mol2, SDF, SMILES, flexibase
3.58,0.27,-32.07,2,3,1, 277.347, 3
19166762
 
#4

eMolecules: 2575472, 602542
Molport: MolPort-000-833-629, MolPort-002-581-234
Aldrich CPR: R102407|ALDRICH
IBScreen: STOCK3S-25851
Mcule: MCULE-3344594938...22 total

ref: mol2, SDF, SMILES, flexibase
2.91,9.65,-35.59,1,4,1, 289.399, 6
1700294
 
#5

Molport: MolPort-002-806-935
AK Scientific: HTS000295
KeyOrganics: BS-5038
Mcule: MCULE-2708184534
Molport BB: MolPort-002-806-935...22 total

ref: mol2, SDF, SMILES, flexibase
4.13,4.41,-31.48,1,2,1, 279.407, 5
12378847
 
#6

eMolecules: 25821643
Molport: MolPort-019-763-449, MolPort-001-975-533
AKOS: AKOS000610238
Asinex: BAS02175866
ChemBridge: 6133440...13 total

ref: mol2, SDF, SMILES, flexibase
2.77,6.66,-11.95,2,7,0, 376.482, 6
ref: mol2, SDF, SMILES, flexibase
2.77,6.69,-11.16,2,7,0, 376.482, 6

Similar to: 33677729,
3901268
 
#7

eMolecules: 28308973, 2088705
Molport: MolPort-007-565-819, MolPort-000-901-366
AKOS: AKOS001671358, AKOS000545449
ChemBridge: 6876226
ChemDiv: 4657-0418...21 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.71,-12.19,1,5,0, 292.36, 6
mid: mol2, SDF, SMILES, flexibase
3.13,3.72,-52.28,0,5,-1, 291.352, 6

Similar to: 7343027,
19799526
 
#8

eMolecules: 1117572
Molport: MolPort-001-844-108
AKOS: AKOS000477642
ChemBridge: 6368526
Mcule: MCULE-1111491156...16 total

ref: mol2, SDF, SMILES, flexibase
1.71,8.15,-51.18,1,5,1, 303.382, 4
mid: mol2, SDF, SMILES, flexibase
1.71,5.89,-10.19,0,5,0, 302.374, 4

Similar to: 4164071,
982962
 
#9

Molport: MolPort-003-819-080
Specs: AH-487/41936172
Otava (Virtual): 9701688
AsisChem (Depleted): ACLSC-170607
ChemDB: 6447068...9 total

ref: mol2, SDF, SMILES, flexibase
1.92,-3.52,-14.66,1,5,0, 336.388, 6

Similar to: 7345582, 7670925, 7754811, 7976582, 8291941, ... 8 in total.
19989886
 
#10

eMolecules: 4433468
Molport: MolPort-019-742-251
IBScreen: STOCK2S-30177
Mcule: MCULE-8826685608
Pharmeks: PHAR125443...14 total

ref: mol2, SDF, SMILES, flexibase
1.16,8.03,-54.39,3,7,1, 377.49, 8
hi: mol2, SDF, SMILES, flexibase
1.16,5.88,-13.29,2,7,0, 376.482, 8
hi: mol2, SDF, SMILES, flexibase
1.16,5.89,-13.38,2,7,0, 376.482, 8
8575396
 
#11

eMolecules: 45951024
Molport: MolPort-019-742-736
Mcule: MCULE-2887886872
Ryan Scientific (Depleted): 002-57271
Specs: AG-670/40703352...11 total

ref: mol2, SDF, SMILES, flexibase
2.27,6.7,-13.19,2,6,0, 332.429, 4
ref: mol2, SDF, SMILES, flexibase
2.27,6.74,-12.42,2,6,0, 332.429, 4

Similar to: 6283761, 6283764, 8575395,
19990070
 
#12

eMolecules: 45930928
Molport: MolPort-019-728-840
Mcule: MCULE-3868399809
Ryan Scientific (Depleted): 002-58189
Specs: AG-670/41875176...10 total

ref: mol2, SDF, SMILES, flexibase
0.73,1.75,-47.33,4,8,-1, 372.308, 4
lo: mol2, SDF, SMILES, flexibase
0.27,2.83,-18.4,5,8,0, 373.316, 4

Similar to: 33937774, 34221691,
5556455
 
#13

Specs: AG-690/10401060
PubChem: 1230012
Ambinter: Amb4054853
ref: mol2, SDF, SMILES, flexibase
1.90,4.5,-46.12,0,6,-1, 248.262, 4
19990034
 
#14

eMolecules: 8223288
Molport: MolPort-002-808-001
Mcule: MCULE-7132631000
Ryan Scientific (Depleted): 002-58045
Specs: AG-670/41082271...12 total

ref: mol2, SDF, SMILES, flexibase
4.72,9.58,-44.04,1,2,-1, 284.404, 3
mid: mol2, SDF, SMILES, flexibase
4.72,9.05,-6.7,1,2,0, 285.412, 3

Similar to: 5825316,
1240782
 
#15

eMolecules: 46520138, 1016479
AKOS: AKOS005627086, AKOS000599549
Asinex: BAS04853758
ChemBridge: 5563850
IBScreen: STOCK2S-99346...26 total

ref: mol2, SDF, SMILES, flexibase
2.25,4.48,-17.47,2,5,0, 268.729, 2
mid: mol2, SDF, SMILES, flexibase
1.88,1.84,-33.93,1,5,-1, 267.721, 3
hi: mol2, SDF, SMILES, flexibase
1.88,3.01,-45.33,1,5,-1, 267.721, 3
19794473
 
#16

Molport: MolPort-002-189-178
ChemBridge: 6209108
Specs: AG-670/36979008
ref: mol2, SDF, SMILES, flexibase
3.01,7.51,-10.17,2,5,0, 374.849, 5

Similar to: 33933221, 6906983,
5286115
 
#17

eMolecules: 13736772
Molport: MolPort-002-815-122
Mcule: MCULE-3819145450
Ryan Scientific (Depleted): 002-95896
Specs: AI-204/31689044...7 total

ref: mol2, SDF, SMILES, flexibase
3.33,10.24,-18.62,0,6,0, 354.464, 4
mid: mol2, SDF, SMILES, flexibase
3.33,10.59,-32.99,1,6,1, 355.472, 4
mid: mol2, SDF, SMILES, flexibase
3.33,10.96,-67.25,2,6,2, 356.48, 4
984053
 
#18

eMolecules: 13736782
Molport: MolPort-002-815-131
Ark Pharm Building Blocks: AK-52415
Chembo Pharma: KB-08706, KB-142622
Mcule: MCULE-3279774577...20 total

ref: mol2, SDF, SMILES, flexibase
2.52,-5.29,-7.54,1,4,0, 263.728, 1

Similar to: 2404980,
5519407
 
#19

eMolecules: 13736788
Molport: MolPort-002-815-134
Ark Pharm Building Blocks: AK-52210
Chembo Pharma: KB-07061
Mcule: MCULE-5754505455...20 total

ref: mol2, SDF, SMILES, flexibase
2.90,-5.15,-8.88,1,4,0, 277.755, 2

Similar to: 2404980,
2758246
 
#20

Asinex: BAS01052102
ChemBridge: 5710512
Princeton BioMolecular Research: OSSK_308152
Specs: AG-690/12867569
Vitas-M: STK000593...6 total

ref: mol2, SDF, SMILES, flexibase
6.38,15.41,-19.05,1,5,0, 458.602, 7
2258599
 
#21

eMolecules: 1206177
Molport: MolPort-001-495-061
AKOS: AKOS000511446
Asinex: BAS00379907
ChemDiv: 4506-0333...23 total

ref: mol2, SDF, SMILES, flexibase
1.28,-4.1,-47.85,4,6,1, 341.453, 9

Similar to: 36980150,
841803
 
#22

eMolecules: 1286035
Molport: MolPort-001-949-372
AKOS: AKOS000526397
Asinex: BAS00865583
IBScreen: STOCK1S-26114...14 total

ref: mol2, SDF, SMILES, flexibase
4.32,12.44,-18.66,2,6,0, 453.589, 8

Similar to: 8934488, 8934489,
6182368
 
#23

eMolecules: 13736658
Molport: MolPort-002-814-977
Mcule: MCULE-9803468355
Ryan Scientific (Depleted): 002-95706
Specs: AI-204/31682039...10 total

ref: mol2, SDF, SMILES, flexibase
1.21,-0.11,-8.68,1,5,0, 267.306, 4
6219168
 
#24

eMolecules: 13736916
Molport: MolPort-002-815-298
Mcule: MCULE-6651286556
Ryan Scientific (Depleted): 002-96115
Specs: AI-204/31697062...8 total

ref: mol2, SDF, SMILES, flexibase
1.77,0.72,-8.86,0,4,0, 262.334, 3
19318821
 
#25

Specs: AG-690/36720008
ref: mol2, SDF, SMILES, flexibase
-3.35,-2.85,-23.39,4,10,0, 206.114, 2
mid: mol2, SDF, SMILES, flexibase
-3.35,-2.27,-47.96,3,10,-1, 205.106, 2
mid: mol2, SDF, SMILES, flexibase
-3.35,-3.36,-102.98,2,10,-2, 204.098, 2
2063189
 
#26

eMolecules: 1301857
Molport: MolPort-000-906-740
Scientific Exchange (make on demand): R-012991
AKOS: AKOS000658852
Asinex: BAS01051899...18 total

ref: mol2, SDF, SMILES, flexibase
5.08,11.41,-20.93,1,7,0, 512.002, 9
18141403
 
#27

eMolecules: 25783573, 26814509
Molport: MolPort-002-695-847, MolPort-019-724-409, MolPort-001-886-306
Scientific Exchange (make on demand): POD_70/0903
AKOS: AKOS000583924
Asinex: BAS00345425...27 total

ref: mol2, SDF, SMILES, flexibase
2.31,8.79,-13.99,2,5,0, 339.42, 4
ref: mol2, SDF, SMILES, flexibase
2.31,8.2,-13.89,2,5,0, 339.42, 4
ref: mol2, SDF, SMILES, flexibase
2.31,8.2,-14.32,2,5,0, 339.42, 4
ref: mol2, SDF, SMILES, flexibase
2.31,8.8,-13.98,2,5,0, 339.42, 4
mid: mol2, SDF, SMILES, flexibase
2.44,9.28,-13.93,2,5,0, 339.42, 5
mid: mol2, SDF, SMILES, flexibase
2.44,8.65,-13.03,2,5,0, 339.42, 5
mid: mol2, SDF, SMILES, flexibase
2.44,9.17,-13.4,2,5,0, 339.42, 5
mid: mol2, SDF, SMILES, flexibase
2.44,8.64,-12.4,2,5,0, 339.42, 5
lo: mol2, SDF, SMILES, flexibase
2.44,8.62,-38.09,3,5,1, 340.428, 5
lo: mol2, SDF, SMILES, flexibase
2.44,8.59,-38,3,5,1, 340.428, 5
8442295
 
#28

eMolecules: 45940218
Specs: AN-023/41981714
Vitas-M: STL383191
ChemDB: 6460013
PubChem: 1781478...6 total

ref: mol2, SDF, SMILES, flexibase
4.11,-4.47,-19.97,2,9,0, 520.592, 6
hi: mol2, SDF, SMILES, flexibase
4.11,-3.92,-51.07,1,9,-1, 519.584, 6
8442294
 
#29

eMolecules: 207329318
Molport: MolPort-002-823-262
Scientific Exchange (make on demand): M-261578
AKOS: AKOS000449898
Mcule: MCULE-7566192177...15 total

ref: mol2, SDF, SMILES, flexibase
3.52,-4.76,-19.86,2,9,0, 506.565, 6
hi: mol2, SDF, SMILES, flexibase
3.52,-4.21,-50.86,1,9,-1, 505.557, 6

Similar to: 2126864,
8442293
 
#30

eMolecules: 5134791
Scientific Exchange (make on demand): H-060350
AKOS: AKOS001653761
AsisChem: E53496
ChemDiv: 4537-0147...21 total

ref: mol2, SDF, SMILES, flexibase
3.42,-4.5,-21.41,2,7,0, 430.917, 6
hi: mol2, SDF, SMILES, flexibase
3.42,-3.93,-58.74,1,7,-1, 429.909, 6
8442288
 
#31

eMolecules: 25972403
Specs: AK-968/41922030
Vitas-M: STK449134
ChemDB: 6328003
PubChem: 9678761...6 total

ref: mol2, SDF, SMILES, flexibase
6.22,-5.13,-18.19,2,2,0, 518.447, 6
hi: mol2, SDF, SMILES, flexibase
6.22,-4.55,-58.19,1,6,-1, 517.439, 6
651582
 
#32

eMolecules: 5128988
Specs: AK-968/41172322
Vitas-M: STK317310
ChemDB: 6309635, 7126411
PubChem: 997624...7 total

ref: mol2, SDF, SMILES, flexibase
6.03,8.28,-16.14,2,8,0, 547.416, 9
hi: mol2, SDF, SMILES, flexibase
6.03,8.31,-55.43,1,8,-1, 546.408, 9
8442281
 
#33

eMolecules: 5128732
Specs: AK-968/40939851
Vitas-M: STK317100
ChemDB: 6309110
PubChem: 4343097...5 total

ref: mol2, SDF, SMILES, flexibase
6.12,-4.89,-21.07,2,9,0, 621.513, 8
hi: mol2, SDF, SMILES, flexibase
6.12,-5.03,-49.96,1,9,-1, 620.505, 8

Similar to: 3215295,
730699
 
#34

eMolecules: 2248600
Molport: MolPort-001-580-455
Scientific Exchange (make on demand): M-235444
AKOS: AKOS000497183
Alinda: IBS-L0050830...24 total

ref: mol2, SDF, SMILES, flexibase
3.09,0.08,-55.73,2,10,-1, 434.498, 7
mid: mol2, SDF, SMILES, flexibase
3.27,1.2,-17.92,3,10,0, 435.506, 6

Similar to: 39592280,
8442279
 
#35

Specs: AO-623/14653179
ChemDB: 6471347
PubChem: 4987019
Ambinter: Amb2675425
ref: mol2, SDF, SMILES, flexibase
1.84,-15.66,-20.82,4,11,0, 510, 7
hi: mol2, SDF, SMILES, flexibase
1.84,-15.08,-41.53,3,11,-1, 508.992, 7
hi: mol2, SDF, SMILES, flexibase
1.84,-15.08,-49.06,3,11,-1, 508.992, 7
hi: mol2, SDF, SMILES, flexibase
1.84,-14.51,-89.33,2,11,-2, 507.984, 7
8442278
 
#36

eMolecules: 8279402
Molport: MolPort-002-841-192
Mcule: MCULE-3723283371
Ryan Scientific (Depleted): 004-02581
Specs: AO-548/43242843...9 total

ref: mol2, SDF, SMILES, flexibase
4.74,-6.73,-18.53,2,6,0, 430.551, 6
hi: mol2, SDF, SMILES, flexibase
4.74,-6.15,-57.51,1,6,-1, 429.543, 6
hi: mol2, SDF, SMILES, flexibase
4.74,-5.69,-124.13,0,6,-2, 428.535, 6
hi: mol2, SDF, SMILES, flexibase
4.74,-6.26,-54.96,1,6,-1, 429.543, 6

Similar to: 64373956, 3100863, 242098,
8442277
 
#37

eMolecules: 5174297
Molport: MolPort-002-840-653
Scientific Exchange (make on demand): H-086968
Mcule: MCULE-9844263153
Ryan Scientific (Depleted): 004-01948...14 total

ref: mol2, SDF, SMILES, flexibase
3.78,-4.16,-25.05,2,8,0, 462.531, 7
hi: mol2, SDF, SMILES, flexibase
3.78,-3.59,-63.29,1,8,-1, 461.523, 7
8442276
 
#38

eMolecules: 8278154
Specs: AO-548/40804314
ChemDB: 6471187
PubChem: 3651055
ref: mol2, SDF, SMILES, flexibase
8.44,-3.97,-17.11,2,6,0, 493.739, 18
hi: mol2, SDF, SMILES, flexibase
8.44,-3.42,-47.08,1,6,-1, 492.731, 18

Similar to: 8452234, 734226, 734227, 5923347, 6088992, ... 7 in total.
8442275
 
#39

eMolecules: 8275824
Specs: AO-095/41417075
ChemDB: 6469969
PubChem: 5076342
ref: mol2, SDF, SMILES, flexibase
6.40,-11.57,-18.65,2,10,0, 615.476, 7
hi: mol2, SDF, SMILES, flexibase
6.40,-11.83,-84.11,0,10,-2, 613.46, 7
hi: mol2, SDF, SMILES, flexibase
6.40,-11.7,-47.13,1,10,-1, 614.468, 7
8442273
 
#40

eMolecules: 8275818
Specs: AO-095/41417072
ChemDB: 7705071
PubChem: 11840424
ref: mol2, SDF, SMILES, flexibase
7.23,-9.65,-20.88,2,8,0, 606.776, 7
hi: mol2, SDF, SMILES, flexibase
7.23,-8.52,-89.7,0,8,-2, 604.76, 7
hi: mol2, SDF, SMILES, flexibase
7.23,-9.09,-51.38,1,8,-1, 605.768, 7
8442272
 
#41

eMolecules: 1817223
Molport: MolPort-002-837-211
Scientific Exchange (make on demand): F-018022
AKOS: AKOS000377575
Mcule: MCULE-4971258540...15 total

ref: mol2, SDF, SMILES, flexibase
4.24,-3.77,-15.93,2,7,0, 446.912, 7
hi: mol2, SDF, SMILES, flexibase
4.24,-3.19,-50.68,1,7,-1, 445.904, 7

Similar to: 11657651, 15419220, 15614760, 16635359, 16635573, ... 15 in total.
8442271
 
#42

eMolecules: 1753014
Molport: MolPort-002-837-053
Scientific Exchange (make on demand): M-487014
AKOS: AKOS000388166
Mcule: MCULE-4879605642...17 total

ref: mol2, SDF, SMILES, flexibase
4.77,-5.8,-7.28,1,3,0, 411.14, 3
hi: mol2, SDF, SMILES, flexibase
4.77,-5.23,-35.5,0,3,-1, 410.132, 3

Similar to: 33681968, 33794417,
8442270
 
#43

Specs: AR-434/42807182
ref: mol2, SDF, SMILES, flexibase
4.90,-1.25,-46.33,2,4,1, 422.961, 4

Similar to: 19926522, 39590886, 39590890, 39590893, 39590897, ... 5 in total.
8442268
 
#44

Mcule: MCULE-9798527762
PKChem: PKC_05834
Ryan Scientific (Depleted): 004-25099
Specs: AR-408/42650593
AsisChem (Depleted): ACLSC-005834...9 total

ref: mol2, SDF, SMILES, flexibase
3.63,-0.23,-17.15,1,7,0, 444.487, 8
634140
 
#45

eMolecules: 22059519
Molport: MolPort-002-849-246
Mcule: MCULE-2860515184
Ryan Scientific (Depleted): 004-25071
Specs: AR-360/42760821...10 total

ref: mol2, SDF, SMILES, flexibase
3.99,3.93,-19.64,0,6,0, 447.531, 10

Similar to: 634138,
634138
 
#46

eMolecules: 22059519
Molport: MolPort-002-849-246
Mcule: MCULE-2860515184
Ryan Scientific (Depleted): 004-25071
Specs: AR-360/42760821...10 total

ref: mol2, SDF, SMILES, flexibase
3.99,4.13,-19.82,0,6,0, 447.531, 10

Similar to: 634140,
1019824
 
#47

ChemMol: 30105571
eMolecules: 981816
Molport: MolPort-000-861-097
AF ChemPharm: SC-3501
AK Scientific: 2209AC...22 total

ref: mol2, SDF, SMILES, flexibase
4.14,2.47,-2.98,0,0,0, 194.277, 2
8442267
 
#48

eMolecules: 22059468
Molport: MolPort-002-849-223
Mcule: MCULE-5687581945
Ryan Scientific (Depleted): 004-25051
Specs: AR-360/42760750...8 total

ref: mol2, SDF, SMILES, flexibase
7.14,2.42,-14.66,0,4,0, 452.561, 6
8442266
 
#49

eMolecules: 22059368
Molport: MolPort-002-849-174
Mcule: MCULE-4999692573
Ryan Scientific (Depleted): 004-25006
Specs: AR-360/42760602...10 total

ref: mol2, SDF, SMILES, flexibase
7.97,3.01,-9.06,0,5,0, 519.689, 5

Similar to: 17197742, 17197744, 17197746, 17197749, ... 7 in total.
8442265
 
#50

eMolecules: 22059368
Molport: MolPort-002-849-174
Mcule: MCULE-4999692573
Ryan Scientific (Depleted): 004-25006
Specs: AR-360/42760602...10 total

ref: mol2, SDF, SMILES, flexibase
7.97,2.18,-7.57,0,5,0, 519.689, 5

Similar to: 8442266, 17197742, 17197744, 17197746, 17197749, ... 7 in total.
8442264
 
#51

eMolecules: 22059368
Molport: MolPort-002-849-174
Mcule: MCULE-4999692573
Ryan Scientific (Depleted): 004-25006
Specs: AR-360/42760602...10 total

ref: mol2, SDF, SMILES, flexibase
7.97,2.96,-8.95,0,5,0, 519.689, 5

Similar to: 8442265, 8442266, 17197742, 17197744, 17197746, ... 7 in total.
8442263
 
#52

eMolecules: 22059368
Molport: MolPort-002-849-174
Mcule: MCULE-4999692573
Ryan Scientific (Depleted): 004-25006
Specs: AR-360/42760602...10 total

ref: mol2, SDF, SMILES, flexibase
7.97,2.97,-9.3,0,5,0, 519.689, 5

Similar to: 8442264, 8442265, 8442266, 17197742, 17197744, ... 7 in total.
8442262
 
#53

eMolecules: 45950402
Molport: MolPort-019-759-448
Specs: AR-360/42760600
PubChem: 11842343, 9542976
ref: mol2, SDF, SMILES, flexibase
7.64,3.15,-7.96,0,3,0, 434.583, 4

Similar to: 8442259, 8442260, 8442261,
8442261
 
#54

eMolecules: 45950402
Molport: MolPort-019-759-448
Specs: AR-360/42760600
PubChem: 11842343, 9542975
ref: mol2, SDF, SMILES, flexibase
7.64,3.05,-7.78,0,3,0, 434.583, 4

Similar to: 8442262, 8442259, 8442260,
8442260
 
#55

eMolecules: 45950402
Molport: MolPort-019-759-448
Mcule: MCULE-5152396920
Ryan Scientific (Depleted): 004-25005
Specs: AR-360/42760600...9 total

ref: mol2, SDF, SMILES, flexibase
7.64,3.06,-8.52,0,3,0, 434.583, 4

Similar to: 8442261, 8442262, 8442259,
8442259
 
#56

eMolecules: 45950402
Molport: MolPort-019-759-448
Mcule: MCULE-5152396920
Ryan Scientific (Depleted): 004-25005
Specs: AR-360/42760600...9 total

ref: mol2, SDF, SMILES, flexibase
7.64,3.13,-8.47,0,3,0, 434.583, 4

Similar to: 8442260, 8442261, 8442262,
8442257
 
#57

eMolecules: 26800312
Molport: MolPort-002-849-172
Mcule: MCULE-6474214896
Ryan Scientific (Depleted): 004-25004
Specs: AR-360/42760595...9 total

ref: mol2, SDF, SMILES, flexibase
7.61,3.48,-9.57,0,3,0, 434.583, 4

Similar to: 17197731, 17197735, 17197738, 36055701, 39029089, ... 7 in total.
8442255
 
#58

eMolecules: 26800312
Molport: MolPort-002-849-172
Mcule: MCULE-6474214896
Ryan Scientific (Depleted): 004-25004
Specs: AR-360/42760595...9 total

ref: mol2, SDF, SMILES, flexibase
7.61,3.52,-9.52,0,3,0, 434.583, 4

Similar to: 8442257, 17197731, 17197735, 17197738, 36055701, ... 7 in total.
8442254
 
#59

eMolecules: 22059360
Molport: MolPort-002-849-170
Mcule: MCULE-4513752285
Ryan Scientific (Depleted): 004-25001
Specs: AR-360/42760583...10 total

ref: mol2, SDF, SMILES, flexibase
7.60,2.64,-8.65,0,5,0, 505.662, 5

Similar to: 8442251, 8442252, 8442253,
8442253
 
#60

eMolecules: 22059360
Molport: MolPort-002-849-170
Mcule: MCULE-4513752285
Ryan Scientific (Depleted): 004-25001
Specs: AR-360/42760583...10 total

ref: mol2, SDF, SMILES, flexibase
7.60,2.58,-8.54,0,5,0, 505.662, 5

Similar to: 8442254, 8442251, 8442252,
8442252
 
#61

eMolecules: 22059360
Molport: MolPort-002-849-170
Mcule: MCULE-4513752285
Ryan Scientific (Depleted): 004-25001
Specs: AR-360/42760583...10 total

ref: mol2, SDF, SMILES, flexibase
7.60,2.72,-7.77,0,5,0, 505.662, 5

Similar to: 8442253, 8442254, 8442251,
8442251
 
#62

eMolecules: 22059360
Molport: MolPort-002-849-170
Mcule: MCULE-4513752285
Ryan Scientific (Depleted): 004-25001
Specs: AR-360/42760583...10 total

ref: mol2, SDF, SMILES, flexibase
7.60,2.6,-9.12,0,5,0, 505.662, 5

Similar to: 8442252, 8442253, 8442254,
8442250
 
#63

eMolecules: 45950392
Molport: MolPort-019-778-645
Specs: AR-360/42760504
PubChem: 9542964, 11842336
ref: mol2, SDF, SMILES, flexibase
7.61,3.11,-8.83,0,3,0, 434.583, 4

Similar to: 8442247, 8442248, 8442249,
8442249
 
#64

eMolecules: 45950392
Molport: MolPort-019-778-645
Specs: AR-360/42760504
PubChem: 9542963, 11842336
ref: mol2, SDF, SMILES, flexibase
7.61,3.09,-8.94,0,3,0, 434.583, 4

Similar to: 8442250, 8442247, 8442248,
8442248
 
#65

eMolecules: 45950392
Molport: MolPort-019-778-645
Mcule: MCULE-8302247788
Ryan Scientific (Depleted): 004-24997
Specs: AR-360/42760504...9 total

ref: mol2, SDF, SMILES, flexibase
7.61,3.18,-9.09,0,3,0, 434.583, 4

Similar to: 8442249, 8442250, 8442247,
8442247
 
#66

eMolecules: 45950392
Molport: MolPort-019-778-645
Mcule: MCULE-8302247788
Ryan Scientific (Depleted): 004-24997
Specs: AR-360/42760504...9 total

ref: mol2, SDF, SMILES, flexibase
7.61,3.22,-9.13,0,3,0, 434.583, 4

Similar to: 8442248, 8442249, 8442250,
8442246
 
#67

eMolecules: 22059348
Specs: AR-360/42760471
ref: mol2, SDF, SMILES, flexibase
9.00,-0.81,-13.67,1,6,0, 645.869, 10

Similar to: 8442242, 8442243, 8442245,
667005
 
#68

eMolecules: 1442012
Molport: MolPort-001-993-963
AKOS: AKOS000666963
Asinex: BAS03801429
Mcule: MCULE-3172765332...12 total

ref: mol2, SDF, SMILES, flexibase
2.71,0.13,-17.64,1,10,0, 445.501, 8
mid: mol2, SDF, SMILES, flexibase
2.71,0.38,-53.97,2,10,1, 446.509, 8

Similar to: 6198419,
8442245
 
#69

eMolecules: 22059348
Specs: AR-360/42760471
ref: mol2, SDF, SMILES, flexibase
9.00,-0.39,-12.63,1,6,0, 645.869, 10

Similar to: 8442246, 8442242, 8442243,
8442244
 
#70

eMolecules: 8253882
Specs: AN-023/41671830
ChemDB: 6459973
PubChem: 4338094
ref: mol2, SDF, SMILES, flexibase
6.00,-1.41,-12.13,3,8,0, 547.457, 5
8442243
 
#71

eMolecules: 22059348
Specs: AR-360/42760471
ref: mol2, SDF, SMILES, flexibase
9.00,-0.49,-12.15,1,6,0, 645.869, 10

Similar to: 8442245, 8442246, 8442242,
666987
 
#72

eMolecules: 2242479
Molport: MolPort-002-270-523
AKOS: AKOS001726226
BioBlocks: A3307/0140529
ChemBridge: 7811176...20 total

ref: mol2, SDF, SMILES, flexibase
3.90,1.15,-10.92,0,9,0, 420.425, 6
mid: mol2, SDF, SMILES, flexibase
3.90,1.98,-38.13,1,9,1, 421.433, 6

Similar to: 709403,
8442242
 
#73

eMolecules: 22059348
Specs: AR-360/42760471
ref: mol2, SDF, SMILES, flexibase
9.00,-0.56,-13.73,1,6,0, 645.869, 10

Similar to: 8442243, 8442245, 8442246,
8442241
 
#74

eMolecules: 22059338
Molport: MolPort-002-849-159
Mcule: MCULE-7444813905
Ryan Scientific (Depleted): 004-24990
Specs: AR-360/42760459...14 total

ref: mol2, SDF, SMILES, flexibase
5.24,10.31,-13.12,1,6,0, 439.581, 8

Similar to: 8442235, 8442238, 8442240,
8442240
 
#75

eMolecules: 22059338
Molport: MolPort-002-849-159
Mcule: MCULE-7444813905
Ryan Scientific (Depleted): 004-24990
Specs: AR-360/42760459...14 total

ref: mol2, SDF, SMILES, flexibase
5.24,10.06,-11.97,1,6,0, 439.581, 8

Similar to: 8442241, 8442235, 8442238,
8442239
 
#76

eMolecules: 8253140
Molport: MolPort-002-822-865
Mcule: MCULE-3989165060
Ryan Scientific (Depleted): 003-47678
Specs: AM-900/41327602...10 total

ref: mol2, SDF, SMILES, flexibase
6.80,-4.19,-15.29,1,6,0, 494.638, 5

Similar to: 8442237,
8442238
 
#77

eMolecules: 22059338
Molport: MolPort-002-849-159
Mcule: MCULE-7444813905
Ryan Scientific (Depleted): 004-24990
Specs: AR-360/42760459...14 total

ref: mol2, SDF, SMILES, flexibase
5.24,10.17,-11.72,1,6,0, 439.581, 8

Similar to: 8442240, 8442241, 8442235,
8442237
 
#78

eMolecules: 8253140
Molport: MolPort-002-822-865
Mcule: MCULE-3989165060
Ryan Scientific (Depleted): 003-47678
Specs: AM-900/41327602...10 total

ref: mol2, SDF, SMILES, flexibase
6.80,-4.19,-15.25,1,6,0, 494.638, 5

Similar to: 8442239,
8442236
 
#79

eMolecules: 8253138
Molport: MolPort-002-822-864
Mcule: MCULE-7968380301
PKChem: PKC_10676
Princeton BioMolecular Research: OSSL_274624...12 total

ref: mol2, SDF, SMILES, flexibase
7.07,1.19,-13.19,1,6,0, 462.571, 5

Similar to: 8442234,
8442235
 
#80

eMolecules: 22059338
Molport: MolPort-002-849-159
Mcule: MCULE-7444813905
Ryan Scientific (Depleted): 004-24990
Specs: AR-360/42760459...14 total

ref: mol2, SDF, SMILES, flexibase
5.24,10.37,-12.2,1,6,0, 439.581, 8

Similar to: 8442238, 8442240, 8442241,
8442234
 
#81

eMolecules: 8253138
Molport: MolPort-002-822-864
Mcule: MCULE-7968380301
PKChem: PKC_10676
Princeton BioMolecular Research: OSSL_274624...12 total

ref: mol2, SDF, SMILES, flexibase
7.07,1.18,-13.18,1,6,0, 462.571, 5

Similar to: 8442236,
8442232
 
#82

eMolecules: 8253136
Specs: AM-900/41327428
ChemDB: 6459578
PubChem: 4110232, 40732185
ref: mol2, SDF, SMILES, flexibase
8.89,0.3,-11.34,1,6,0, 621.243, 9

Similar to: 8442231,
8442231
 
#83

eMolecules: 8253136
Specs: AM-900/41327428
ChemDB: 6459578
PubChem: 4110232, 40732184
ref: mol2, SDF, SMILES, flexibase
8.89,0.3,-11.35,1,6,0, 621.243, 9

Similar to: 8442232,
8442230
 
#84

eMolecules: 22059320
Molport: MolPort-002-849-150
Mcule: MCULE-2516741736
Ryan Scientific (Depleted): 004-24981
Specs: AR-360/42760398...9 total

ref: mol2, SDF, SMILES, flexibase
8.13,3.77,-6.49,0,4,0, 520.765, 6

Similar to: 17197718, 17197725, 17197729, 18285458, ... 6 in total.
8442229
 
#85

eMolecules: 22059320
Molport: MolPort-002-849-150
Mcule: MCULE-2516741736
Ryan Scientific (Depleted): 004-24981
Specs: AR-360/42760398...9 total

ref: mol2, SDF, SMILES, flexibase
8.12,18.86,-12.51,0,4,0, 520.765, 6

Similar to: 8442230, 17197718, 17197725, 17197729, 18285458, ... 6 in total.
8442228
 
#86

eMolecules: 8253134
Molport: MolPort-002-822-862
Mcule: MCULE-5017731094
PKChem: PKC_10740
Princeton BioMolecular Research: OSSL_274646...12 total

ref: mol2, SDF, SMILES, flexibase
5.90,-4.8,-16.15,1,6,0, 466.584, 4

Similar to: 8442227,
8442227
 
#87

eMolecules: 8253134
Molport: MolPort-002-822-862
Mcule: MCULE-5017731094
PKChem: PKC_10740
Princeton BioMolecular Research: OSSL_274646...12 total

ref: mol2, SDF, SMILES, flexibase
5.90,-4.8,-15.78,1,6,0, 466.584, 4

Similar to: 8442228,
8442226
 
#88

eMolecules: 22059320
Molport: MolPort-002-849-150
Mcule: MCULE-2516741736
Ryan Scientific (Depleted): 004-24981
Specs: AR-360/42760398...9 total

ref: mol2, SDF, SMILES, flexibase
8.13,3.56,-8.4,0,4,0, 520.765, 6

Similar to: 8442229, 8442230, 17197718, 17197725, 17197729, ... 6 in total.
8442225
 
#89

eMolecules: 45939793
Specs: AM-900/40875552
ChemDB: 6459569
PubChem: 6005162, 4081029
ref: mol2, SDF, SMILES, flexibase
6.33,-3.6,-16.21,0,6,0, 517.415, 4
8442224
 
#90

eMolecules: 22059312
Molport: MolPort-002-849-146
Mcule: MCULE-1028110851
Ryan Scientific (Depleted): 004-24977
Specs: AR-360/42760372...10 total

ref: mol2, SDF, SMILES, flexibase
7.27,3.27,-7.34,0,3,0, 446.66, 6

Similar to: 8442221, 8442222, 8442223,
2124724
 
#91

eMolecules: 1664688
Molport: MolPort-002-822-644
AKOS: AKOS005385415
Mcule: MCULE-9562604708
Ryan Scientific (Depleted): 003-47399...14 total

ref: mol2, SDF, SMILES, flexibase
7.24,-0.9,-12.09,1,5,0, 503.023, 5

Similar to: 27841305,
8442223
 
#92

eMolecules: 22059312
Molport: MolPort-002-849-146
Mcule: MCULE-1028110851
Ryan Scientific (Depleted): 004-24977
Specs: AR-360/42760372...10 total

ref: mol2, SDF, SMILES, flexibase
7.27,3.22,-7.21,0,3,0, 446.66, 6

Similar to: 8442224, 8442221, 8442222,
2124722
 
#93

eMolecules: 1664706
Molport: MolPort-002-822-643
AKOS: AKOS001649405
ChemDiv: 3949-2508
Mcule: MCULE-6405680084...17 total

ref: mol2, SDF, SMILES, flexibase
6.20,-0.23,-10.87,1,5,0, 470.953, 5

Similar to: 2985068,
2124713
 
#94

eMolecules: 2152920
Molport: MolPort-002-202-037
AKOS: AKOS001639361
ChemBridge: 6452389
ChemDiv: 3810-0695...16 total

ref: mol2, SDF, SMILES, flexibase
5.28,12.49,-20.1,1,9,0, 493.541, 8
hi: mol2, SDF, SMILES, flexibase
5.73,11.57,-63.08,0,9,-1, 492.533, 8

Similar to: 9041316,
8442222
 
#95

eMolecules: 22059312
Molport: MolPort-002-849-146
Mcule: MCULE-1028110851
Ryan Scientific (Depleted): 004-24977
Specs: AR-360/42760372...10 total

ref: mol2, SDF, SMILES, flexibase
7.27,3.24,-7.27,0,3,0, 446.66, 6

Similar to: 8442223, 8442224, 39030759,
2124712
 
#96

eMolecules: 8252676
Molport: MolPort-002-822-599
Scientific Exchange (make on demand): Q-012880
AKOS: AKOS001649472
ChemDiv: 3949-2513...16 total

ref: mol2, SDF, SMILES, flexibase
6.54,13.06,-11.09,1,4,0, 485.378, 4
hi: mol2, SDF, SMILES, flexibase
7.00,11.68,-50.01,0,4,-1, 484.37, 4

Similar to: 1172532,
2124706
 
#97

eMolecules: 1664716
Molport: MolPort-002-822-595
AKOS: AKOS005379497
Mcule: MCULE-8945912154
PKChem: PKC_10733...14 total

ref: mol2, SDF, SMILES, flexibase
6.92,13.37,-10.95,1,4,0, 457.382, 4

Similar to: 4094421,
8442221
 
#98

eMolecules: 22059312
Molport: MolPort-002-849-146
Mcule: MCULE-1028110851
Ryan Scientific (Depleted): 004-24977
Specs: AR-360/42760372...10 total

ref: mol2, SDF, SMILES, flexibase
7.27,3.21,-6.9,0,3,0, 446.66, 6

Similar to: 8442222, 8442223, 8442224, 39030759, ... 4 in total.
2124704
 
#99

eMolecules: 1662460
Molport: MolPort-002-822-594
AKOS: AKOS001639218
ChemDiv: 3810-0344
Mcule: MCULE-4836541704...17 total

ref: mol2, SDF, SMILES, flexibase
6.08,-1.05,-10.68,1,5,0, 452.963, 5
666178
 
#100

eMolecules: 1403420
Molport: MolPort-001-984-877
AKOS: AKOS000627102
Asinex: BAS02835133
ChemDiv: 3949-2568...13 total

ref: mol2, SDF, SMILES, flexibase
5.05,-0.53,-15.14,1,6,0, 438.53, 5

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 = 2 ) limit 0,100

Smiles were