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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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191862
 
#1

eMolecules: 45932836
Molport: MolPort-023-224-212
Mcule: MCULE-7564111980
Ryan Scientific (Depleted): 002-87376
Specs: AH-034/36862047...9 total

ref: mol2, SDF, SMILES, flexibase
2.92,5.07,-34.99,3,5,1, 290.302, 2
ref: mol2, SDF, SMILES, flexibase
2.92,4.15,-35.15,3,5,1, 290.302, 2
191899
 
#2

eMolecules: 25870515
Molport: MolPort-002-160-305
Life Chemicals: F0849-0956
Mcule: MCULE-9424090983
ChemDB: 4302955...9 total

ref: mol2, SDF, SMILES, flexibase
2.02,-5.35,-22.36,4,7,0, 337.335, 4

Similar to: 5188819, 17040836,
4509547
 
#3

eMolecules: 46549384
Molport: MolPort-003-717-671
AKOS: AKOS005734085
American Custom Chemicals Corp.: CHM0244481
Mcule: MCULE-9378181049...11 total

ref: mol2, SDF, SMILES, flexibase
2.00,1.28,-38.35,5,7,1, 338.343, 4

Similar to: 13893670,
4177703
 
#4

eMolecules: 26992036
Molport: MolPort-007-549-986
AKOS: AKOS001484602
American Custom Chemicals Corp.: HCH0156689
ChemDiv: 1151-0183...11 total

ref: mol2, SDF, SMILES, flexibase
5.32,6.75,-34.49,3,4,1, 402.179, 3
13475741
 
#5

eMolecules: 1174550
Molport: MolPort-001-918-176
AKOS: AKOS000622721
ChemDiv: 1711-1369
IBScreen: STOCK1S-10146...14 total

ref: mol2, SDF, SMILES, flexibase
3.59,4.42,-21.16,2,4,0, 278.311, 2
176113
 
#6

eMolecules: 45794487
Molport: MolPort-003-013-126
Life Chemicals: F0349-2861
Mcule: MCULE-8841772400
ChemDB: 5629590...9 total

ref: mol2, SDF, SMILES, flexibase
1.97,-4.83,-26.43,4,7,0, 337.335, 4
4744544
 
#7

eMolecules: 45810302
Molport: MolPort-003-054-810
AKOS: AKOS005737079
American Custom Chemicals Corp.: CHM0257137
Life Chemicals: F0803-0174...12 total

ref: mol2, SDF, SMILES, flexibase
4.06,7.19,-36.37,4,6,1, 384.415, 4
4744506
 
#8

eMolecules: 5426697
Molport: MolPort-003-013-811
AKOS: AKOS001485518
American Custom Chemicals Corp.: CHM0193115
ChemDiv: 1926-2315...12 total

ref: mol2, SDF, SMILES, flexibase
3.95,6.37,-29.41,3,5,1, 323.372, 4
17122507
 
#9

eMolecules: 5426701
Molport: MolPort-003-013-813
AKOS: AKOS001485530
American Custom Chemicals Corp.: CHM0181356
ChemDiv: 1926-2323...12 total

ref: mol2, SDF, SMILES, flexibase
3.63,4.66,-27.24,3,5,1, 309.345, 3
178957
 
#10

eMolecules: 46209654
Molport: MolPort-019-947-720, MolPort-019-736-735
AKOS: AKOS005746299
American Custom Chemicals Corp.: CHM0257269
ChemDiv: 2265-3159...12 total

ref: mol2, SDF, SMILES, flexibase
2.56,2.3,-37.45,4,6,1, 323.328, 3

Similar to: 190451, 193152, 12407556, 12437686, 13541427, ... 7 in total.
4177667
 
#11

eMolecules: 6162724
Molport: MolPort-003-714-353
AKOS: AKOS001591209
American Custom Chemicals Corp.: HCH0156694
ChemDiv: 1151-0328...11 total

ref: mol2, SDF, SMILES, flexibase
4.38,5.99,-28.22,3,4,1, 358.215, 2
187619
 
#12

eMolecules: 6149709
Molport: MolPort-003-707-807
AKOS: AKOS001577933
ChemDiv: 0840-0010
Mcule: MCULE-3971188205...10 total

ref: mol2, SDF, SMILES, flexibase
1.76,-4.81,-15.76,4,7,0, 323.308, 3
4177663
 
#13

eMolecules: 26683677
Molport: MolPort-002-995-503
AKOS: AKOS001620239
American Custom Chemicals Corp.: CHM0181338
ChemDiv: 1391-0668...12 total

ref: mol2, SDF, SMILES, flexibase
5.94,6.47,-30.26,4,5,1, 365.453, 7
191879
 
#14

eMolecules: 26991992
Molport: MolPort-023-227-356, MolPort-007-549-962
AKOS: AKOS001591263
ChemDiv: 1151-0127
Mcule: MCULE-1225624309...11 total

ref: mol2, SDF, SMILES, flexibase
1.99,-5.32,-23.63,4,6,0, 307.309, 3

Similar to: 13511264,
4177702
 
#15

eMolecules: 26992002
Molport: MolPort-007-549-968
AKOS: AKOS001591354
ChemDiv: 1151-0141
Mcule: MCULE-1261270944...9 total

ref: mol2, SDF, SMILES, flexibase
2.00,-5.36,-25.65,4,7,0, 337.335, 4
5125371
 
#16

eMolecules: 45797400
Molport: MolPort-003-054-799
ChemDiv: 1151-0166
Life Chemicals: F0803-0006
Mcule: MCULE-3110310247...9 total

ref: mol2, SDF, SMILES, flexibase
2.88,5.03,-32.81,3,6,1, 320.328, 3
3108415
 
#17

eMolecules: 26992038
Molport: MolPort-007-549-987
AKOS: AKOS001591187
ChemDiv: 1151-0184
Mcule: MCULE-9593073172...9 total

ref: mol2, SDF, SMILES, flexibase
5.30,-0.73,-17.9,2,4,0, 401.171, 3
1193551
 
#18

eMolecules: 2364770
Molport: MolPort-002-160-307
Life Chemicals: F0150-0046
Mcule: MCULE-8719276009
ChemDB: 4302956...9 total

ref: mol2, SDF, SMILES, flexibase
4.89,0.01,-19.11,2,5,0, 403.404, 6
197555
 
#19

eMolecules: 5424880
Molport: MolPort-003-013-116
AKOS: AKOS001485480
American Custom Chemicals Corp.: CHM0176623
ChemDiv: 1926-2334...11 total

ref: mol2, SDF, SMILES, flexibase
4.00,6.08,-29.22,3,5,1, 323.372, 4
1511167
 
#20

eMolecules: 6170450
Molport: MolPort-003-718-067
AKOS: AKOS001599553
ChemDiv: 1711-1288
Mcule: MCULE-6862642580...10 total

ref: mol2, SDF, SMILES, flexibase
5.61,-2.1,-9.5,2,4,0, 383.234, 2

Similar to: 195536,
5127860
 
#21

eMolecules: 26997224
Molport: MolPort-021-742-032, MolPort-007-551-397
AKOS: AKOS001597398
ChemDiv: 2041-2417
Mcule: MCULE-4857579715...11 total

ref: mol2, SDF, SMILES, flexibase
1.95,-4.54,-31.16,4,7,0, 337.335, 4
5127857
 
#22

eMolecules: 26998610
Molport: MolPort-023-227-317, MolPort-007-552-028
AKOS: AKOS001603810
American Custom Chemicals Corp.: CHM0193198
ChemDiv: 2103-2563...12 total

ref: mol2, SDF, SMILES, flexibase
3.56,4.8,-29.32,3,6,1, 339.371, 5
3108443
 
#23

eMolecules: 6162728
Molport: MolPort-003-714-355
AKOS: AKOS001591228
ChemDiv: 1151-0330
Mcule: MCULE-6790518740...10 total

ref: mol2, SDF, SMILES, flexibase
4.76,-4.19,-15.76,2,4,0, 422.076, 2
191920
 
#24

eMolecules: 26992012
Molport: MolPort-007-549-974
AKOS: AKOS001591080
American Custom Chemicals Corp.: CHM0244480
ChemDiv: 1151-0152...11 total

ref: mol2, SDF, SMILES, flexibase
2.02,0.79,-38.94,5,7,1, 338.343, 4

Similar to: 193150, 13146568, 191902,
652890
 
#25

eMolecules: 45932838
Molport: MolPort-023-225-186
Mcule: MCULE-5549703328
Ryan Scientific (Depleted): 002-87377
Specs: AH-034/36862048...9 total

ref: mol2, SDF, SMILES, flexibase
5.96,8.45,-35.72,3,6,1, 442.52, 4
4077540
 
#26

eMolecules: 5426707
Molport: MolPort-003-013-815
AKOS: AKOS001485484
American Custom Chemicals Corp.: CHM0181344
ChemDiv: 1926-2336...11 total

ref: mol2, SDF, SMILES, flexibase
6.38,7.14,-30.07,4,5,1, 379.48, 7
1497247
 
#27

eMolecules: 6144461
Molport: MolPort-003-705-328
AKOS: AKOS001485325
ChemDiv: 1711-1289
Mcule: MCULE-2364288262...10 total

ref: mol2, SDF, SMILES, flexibase
5.24,-3.53,-16.04,2,4,0, 412.07, 2
1515987
 
#28

eMolecules: 6178953
Molport: MolPort-002-945-001
AKOS: AKOS001486162
American Custom Chemicals Corp.: CHM0181357
ChemDiv: 2103-2593...14 total

ref: mol2, SDF, SMILES, flexibase
5.00,7.36,-29.86,3,5,1, 371.416, 4
17130788
 
#29

eMolecules: 5470094
Molport: MolPort-023-224-099, MolPort-001-674-842
American Custom Chemicals Corp.: HCH0273550
Life Chemicals: F0803-0246
Mcule: MCULE-3058249604...14 total

ref: mol2, SDF, SMILES, flexibase
4.42,6.41,-31.57,3,5,1, 377.342, 5
ref: mol2, SDF, SMILES, flexibase
4.42,5.58,-34.27,3,5,1, 377.342, 5
4077536
 
#30

eMolecules: 26440638
Molport: MolPort-003-013-812
AKOS: AKOS001485519
American Custom Chemicals Corp.: CHM0181342
ChemDiv: 1926-2317...11 total

ref: mol2, SDF, SMILES, flexibase
6.34,7.42,-29.86,4,5,1, 379.48, 7
5127865
 
#31

eMolecules: 26996044
Molport: MolPort-007-550-922
AKOS: AKOS001485535
American Custom Chemicals Corp.: CHM0175973
ChemDiv: 1926-2325...11 total

ref: mol2, SDF, SMILES, flexibase
3.98,6.07,-29.24,3,5,1, 323.372, 4
4177647
 
#32

eMolecules: 26993068
Molport: MolPort-007-550-184
Scientific Exchange: H-068847
AKOS: AKOS001620288
ChemDiv: 1391-0707...9 total

ref: mol2, SDF, SMILES, flexibase
5.69,-1.61,-11.45,3,6,0, 389.455, 7
1877551
 
#33

eMolecules: 6140619
Molport: MolPort-003-703-502
AKOS: AKOS001620336
ChemDiv: 1416-0150
Mcule: MCULE-5734622438...9 total

ref: mol2, SDF, SMILES, flexibase
5.48,-3.88,-14.62,4,7,0, 421.497, 8
13942119
 
#34

eMolecules: 45793886
Molport: MolPort-002-934-314
ChemDiv: 1488-1613
Life Chemicals: F0110-0180
Mcule: MCULE-8878305079...12 total

ref: mol2, SDF, SMILES, flexibase
3.57,4.74,-20.55,2,4,0, 278.311, 2
191924
 
#35

eMolecules: 26992014
Molport: MolPort-023-225-479, MolPort-007-549-975
AKOS: AKOS001591081
ChemDiv: 1151-0153
Mcule: MCULE-2533187864...11 total

ref: mol2, SDF, SMILES, flexibase
2.00,-5.34,-29.76,4,7,0, 337.335, 4
3108411
 
#36

eMolecules: 26992022
Molport: MolPort-007-549-979
AKOS: AKOS001484592
ChemDiv: 1151-0170
Mcule: MCULE-9965301020...9 total

ref: mol2, SDF, SMILES, flexibase
3.69,-2,-17.3,2,5,0, 368.19, 2
3108418
 
#37

eMolecules: 26992040
Molport: MolPort-007-549-989
AKOS: AKOS001591188
ChemDiv: 1151-0186
Mcule: MCULE-1736901857...10 total

ref: mol2, SDF, SMILES, flexibase
4.57,-2.21,-18.59,2,4,0, 351.164, 2
194688
 
#38

ChemDB: 6715647
PubChem: 4246445
SMDC CDiv Carboxamide: 134633
ref: mol2, SDF, SMILES, flexibase
3.21,-2.54,-22.12,2,6,0, 324.336, 4

Similar to: 194699, 418557, 13426937, 13426961, 13750195, ... 8 in total.
4030453
 
#39

eMolecules: 45794521
Molport: MolPort-003-013-233
American Custom Chemicals Corp.: HCH0155487
Life Chemicals: F0368-0057
Mcule: MCULE-7242501039...11 total

ref: mol2, SDF, SMILES, flexibase
5.28,8.12,-27.48,3,5,1, 405.305, 5
lo: mol2, SDF, SMILES, flexibase
5.28,8.26,-31.94,4,5,0, 406.313, 5
lo: mol2, SDF, SMILES, flexibase
5.28,7.8,-33.92,4,5,0, 406.313, 5
1506504
 
#40

eMolecules: 6168344
Molport: MolPort-003-717-044
AKOS: AKOS001485276
ChemDiv: 1711-1382
Mcule: MCULE-9004246377...10 total

ref: mol2, SDF, SMILES, flexibase
4.25,-3.49,-18.2,2,4,0, 390.18, 2

Similar to: 4177548,
16960789
 
#41

eMolecules: 4948817
Molport: MolPort-001-675-116, MolPort-023-225-669
AKOS: AKOS005677851
American Custom Chemicals Corp.: CHM0193199
Life Chemicals: F0849-2247...20 total

ref: mol2, SDF, SMILES, flexibase
4.97,7.89,-31.39,3,5,1, 371.416, 4
ref: mol2, SDF, SMILES, flexibase
4.97,7.08,-31.52,3,5,1, 371.416, 4
197513
 
#42

eMolecules: 6178903
Molport: MolPort-003-722-260
AKOS: AKOS001485520
American Custom Chemicals Corp.: CHM0181348
ChemDiv: 1926-2318...11 total

ref: mol2, SDF, SMILES, flexibase
4.40,7.9,-26.36,3,5,1, 350.442, 5
lo: mol2, SDF, SMILES, flexibase
4.40,8.01,-32.4,4,5,0, 351.45, 5
lo: mol2, SDF, SMILES, flexibase
4.40,7.52,-35.43,4,5,0, 351.45, 5
13511264
 
#43

eMolecules: 4374026
Molport: MolPort-023-228-039, MolPort-002-539-039
AKOS: AKOS001591464
ChemDiv: 0440-0044
IBScreen: STOCK1S-08661...17 total

ref: mol2, SDF, SMILES, flexibase
3.62,5.39,-27.37,3,4,1, 279.319, 2
ref: mol2, SDF, SMILES, flexibase
3.62,4.4,-27.78,3,4,1, 279.319, 2

Similar to: 191879,
651834
 
#44

eMolecules: 26781640
Molport: MolPort-023-228-302, MolPort-002-819-916
AKOS: AKOS001620187
ChemDiv: 1391-0654
Mcule: MCULE-7134290615...13 total

ref: mol2, SDF, SMILES, flexibase
5.20,7.83,-29.81,3,4,1, 383.349, 3
ref: mol2, SDF, SMILES, flexibase
5.20,6.9,-27.93,3,4,1, 383.349, 3
191889
 
#45

eMolecules: 26991998
Molport: MolPort-007-549-965
AKOS: AKOS001591313
ChemDiv: 1151-0134
Mcule: MCULE-9863242062...10 total

ref: mol2, SDF, SMILES, flexibase
2.93,-1.23,-18.32,2,6,0, 319.32, 3
191907
 
#46

eMolecules: 23140680
Molport: MolPort-007-549-969
AKOS: AKOS001484587
ChemDiv: 1151-0146
Mcule: MCULE-1487355575...10 total

ref: mol2, SDF, SMILES, flexibase
2.93,-1.25,-22.1,2,6,0, 319.32, 3

Similar to: 191902,
13893670
 
#47

eMolecules: 26439130
Molport: MolPort-002-943-075
AKOS: AKOS001602149
Alinda: IBS-L0206571
American Custom Chemicals Corp.: CHM0175963...16 total

ref: mol2, SDF, SMILES, flexibase
3.63,5.2,-29.42,3,5,1, 309.345, 3

Similar to: 4509547,
5125365
 
#48

AKOS BB (make-on-demand): AKOS001591099
ChemDB: 6715134
PubChem: 4523268
SMDC CDiv Carboxamide: 134563
AKOS (make-on-demand): AKOS001591099...5 total

ref: mol2, SDF, SMILES, flexibase
2.93,-0.98,-22.39,2,6,0, 319.32, 3
4177687
 
#49

eMolecules: 46351583
Molport: MolPort-002-934-525
AKOS: AKOS005382278
American Custom Chemicals Corp.: HCH0156684
Mcule: MCULE-5823109699...12 total

ref: mol2, SDF, SMILES, flexibase
4.83,6.35,-31.97,3,4,1, 412.185, 3
4177686
 
#50

eMolecules: 26992042
Molport: MolPort-007-549-990
AKOS: AKOS001591206
American Custom Chemicals Corp.: HCH0156690
ChemDiv: 1151-0187...10 total

ref: mol2, SDF, SMILES, flexibase
4.54,5.87,-30.71,3,4,1, 352.172, 2
17040836
 
#51

eMolecules: 5422897
Molport: MolPort-003-011-607
Scientific Exchange: R-037194
AKOS: AKOS001485282
ChemDiv: 1711-1383...12 total

ref: mol2, SDF, SMILES, flexibase
3.65,3.71,-19.17,2,5,0, 308.337, 3

Similar to: 191899, 5188819,
17130862
 
#52

eMolecules: 5470096
Molport: MolPort-023-225-592, MolPort-002-795-814
American Custom Chemicals Corp.: CHM0193274
Life Chemicals: F0803-0249
Mcule: MCULE-8993666021...16 total

ref: mol2, SDF, SMILES, flexibase
5.35,7.99,-31.32,3,5,1, 385.443, 5
ref: mol2, SDF, SMILES, flexibase
5.35,8.81,-31.18,3,5,1, 385.443, 5
17135829
 
#53

eMolecules: 5425374
Molport: MolPort-003-013-404
AKOS: AKOS001485521
ChemDiv: 1926-2319
Life Chemicals: F0381-2136...11 total

ref: mol2, SDF, SMILES, flexibase
4.73,7.45,-10.24,2,4,0, 328.371, 2
4177549
 
#54

eMolecules: 26996046
Molport: MolPort-007-550-923
AKOS: AKOS001485538
American Custom Chemicals Corp.: CHM0181343
ChemDiv: 1926-2327...10 total

ref: mol2, SDF, SMILES, flexibase
6.36,7.13,-30.01,4,5,1, 379.48, 7
13116296
 
#55

Molport: MolPort-002-539-842
ChemDiv: 1306-0011
ChEMBL12: CHEMBL1439935
ChEMBL19: CHEMBL1439935
ChemDB: 4588366...9 total

ref: mol2, SDF, SMILES, flexibase
1.01,2.38,-13.6,2,6,0, 271.324, 4

Similar to: 2786693,
193118
 
#56

eMolecules: 6167594
Molport: MolPort-002-810-758, MolPort-021-806-632
AKOS: AKOS001620188
ChemDiv: 1391-0655
Mcule: MCULE-8705786162...13 total

ref: mol2, SDF, SMILES, flexibase
4.08,7.22,-34.09,3,5,1, 340.362, 2
ref: mol2, SDF, SMILES, flexibase
4.08,6.24,-34.45,3,5,1, 340.362, 2
3108398
 
#57

eMolecules: 45810306
Molport: MolPort-003-056-340
Life Chemicals: F0849-0954
Mcule: MCULE-2391868850
ChemDB: 6194078...8 total

ref: mol2, SDF, SMILES, flexibase
4.10,-0.48,-16.85,2,5,0, 362.307, 4
1517281
 
#58

eMolecules: 6184280
Molport: MolPort-003-724-935
AKOS: AKOS001591161
American Custom Chemicals Corp.: HCH0197347
ChemDiv: 1151-0178...11 total

ref: mol2, SDF, SMILES, flexibase
3.66,5.86,-32.98,3,5,1, 369.198, 2
3108420
 
#59

eMolecules: 45810308
Molport: MolPort-003-056-341
Life Chemicals: F0849-0966
Mcule: MCULE-7807159879
ChemDB: 6194085...8 total

ref: mol2, SDF, SMILES, flexibase
3.25,-5.63,-22.97,4,6,0, 376.199, 3

Similar to: 17118301,
3108423
 
#60

eMolecules: 45810310
Molport: MolPort-003-056-342
Life Chemicals: F0849-0969
Mcule: MCULE-9771574024
ChemDB: 5617650...8 total

ref: mol2, SDF, SMILES, flexibase
2.82,-4.86,-24.56,4,7,0, 378.432, 6

Similar to: 4030456, 197561,
197569
 
#61

eMolecules: 5424794
Molport: MolPort-003-013-062
AKOS: AKOS001485488
American Custom Chemicals Corp.: CHM0176625
ChemDiv: 1926-2340...12 total

ref: mol2, SDF, SMILES, flexibase
4.03,5.57,-29.6,3,5,1, 323.372, 4

Similar to: 193150,
257226
 
#62

eMolecules: 6178909
Molport: MolPort-003-722-263
AKOS: AKOS001485539
American Custom Chemicals Corp.: CHM0181349
ChemDiv: 1926-2328...12 total

ref: mol2, SDF, SMILES, flexibase
4.42,7.61,-26.47,3,5,1, 350.442, 5
lo: mol2, SDF, SMILES, flexibase
4.42,7.74,-32.75,4,5,0, 351.45, 5
lo: mol2, SDF, SMILES, flexibase
4.42,6.81,-32.85,4,5,0, 351.45, 5

Similar to: 4030456,
3108413
 
#63

eMolecules: 6169635
Molport: MolPort-003-717-672
AKOS: AKOS001484601
ChemDiv: 1151-0180
Mcule: MCULE-1317845667...10 total

ref: mol2, SDF, SMILES, flexibase
6.73,-4.59,-20.01,2,5,0, 490.382, 3
4177679
 
#64

eMolecules: 6162654
Molport: MolPort-003-714-322
AKOS: AKOS001591207
American Custom Chemicals Corp.: HCH0156691
Mcule: MCULE-6056029874...11 total

ref: mol2, SDF, SMILES, flexibase
3.22,2.52,-36.91,5,6,1, 377.207, 3
4030456
 
#65

ChemDB: 5617651
PubChem: 4579288
SMDC CDiv Carboxamide: 134585
ref: mol2, SDF, SMILES, flexibase
2.79,-4.86,-28.46,4,7,0, 378.432, 6

Similar to: 12562995, 257226, 999726, 1509161, 197561, ... 7 in total.
195533
 
#66

eMolecules: 4929676
Molport: MolPort-003-011-606
AKOS: AKOS001485317
ChemDiv: 1711-1285
Life Chemicals: F0266-5854...14 total

ref: mol2, SDF, SMILES, flexibase
4.45,-2.77,-18.54,2,4,0, 333.174, 2

Similar to: 195536,
1511175
 
#67

eMolecules: 6170452
Molport: MolPort-002-933-395
AKOS: AKOS001599391
American Custom Chemicals Corp.: HCH0156801
ChemDiv: 1711-1298...14 total

ref: mol2, SDF, SMILES, flexibase
4.69,5.96,-30.09,3,4,1, 423.084, 2
176109
 
#68

eMolecules: 45797406
Molport: MolPort-003-054-808
Life Chemicals: F0803-0154
Mcule: MCULE-8842925049
ChemDB: 5629587...8 total

ref: mol2, SDF, SMILES, flexibase
1.94,2.01,-30.85,5,6,1, 308.317, 3
1506514
 
#69

eMolecules: 6168348
Molport: MolPort-003-717-046
AKOS: AKOS001485295
ChemDiv: 1711-1391
Mcule: MCULE-2262677362...10 total

ref: mol2, SDF, SMILES, flexibase
4.72,-0.64,-16,2,4,0, 366.726, 3
5127850
 
#70

eMolecules: 26781630
Molport: MolPort-003-820-190, MolPort-023-225-164
AKOS: AKOS001613270
American Custom Chemicals Corp.: CHM0176110
ChemDiv: 2203-2953...14 total

ref: mol2, SDF, SMILES, flexibase
3.61,4.7,-30.8,3,6,1, 339.371, 5
ref: mol2, SDF, SMILES, flexibase
3.61,3.86,-31.17,3,6,1, 339.371, 5
16837284
 
#71

eMolecules: 45794706
Molport: MolPort-003-013-810
American Custom Chemicals Corp.: CHM0181355
Life Chemicals: F0405-2184
Mcule: MCULE-8432238161...10 total

ref: mol2, SDF, SMILES, flexibase
3.60,4.95,-27.29,3,5,1, 309.345, 3
197525
 
#72

eMolecules: 6178905
Molport: MolPort-003-722-261
AKOS: AKOS001609636
American Custom Chemicals Corp.: CHM0193116
ChemDiv: 1926-2321...11 total

ref: mol2, SDF, SMILES, flexibase
3.98,5.84,-29.43,3,5,1, 323.372, 4

Similar to: 193150,
17122502
 
#73

eMolecules: 5425376
Molport: MolPort-003-013-405
AKOS: AKOS001485543
ChemDiv: 1926-2329
Life Chemicals: F0381-2142...11 total

ref: mol2, SDF, SMILES, flexibase
4.75,7.15,-10.49,2,4,0, 328.371, 2
1500917
 
#74

Scientific Exchange (make on demand): X-023908
ChemDB: 5602176
SMDC CDiv Carboxamide: 134589
ref: mol2, SDF, SMILES, flexibase
2.70,3.34,-13.04,3,4,0, 300.383, 3
16672246
 
#75

eMolecules: 2364768
Molport: MolPort-002-160-306
AKOS: AKOS001591380
ChemDiv: 1151-0149
Mcule: MCULE-4470139986...11 total

ref: mol2, SDF, SMILES, flexibase
3.37,3.14,-20.97,2,5,0, 312.3, 3

Similar to: 193132,
4177678
 
#76

eMolecules: 26992034
Molport: MolPort-007-549-985
AKOS: AKOS001591162
American Custom Chemicals Corp.: HCH0155739
ChemDiv: 1151-0182...10 total

ref: mol2, SDF, SMILES, flexibase
4.16,6.13,-36.72,3,5,1, 359.192, 2
3108425
 
#77

eMolecules: 6162664
Molport: MolPort-023-227-357, MolPort-003-714-326
AKOS: AKOS001591264
Mcule: MCULE-9064990684
AKOS BB (make-on-demand): AKOS001591264...10 total

ref: mol2, SDF, SMILES, flexibase
6.78,-3.31,-23.57,2,6,0, 482.609, 6
4177537
 
#78

eMolecules: 6165360
Molport: MolPort-003-715-599
AKOS: AKOS001485318
ChemDiv: 1711-1286
Mcule: MCULE-7474416906...10 total

ref: mol2, SDF, SMILES, flexibase
4.49,-2.76,-17.15,2,5,0, 363.2, 3

Similar to: 195536,
4177536
 
#79

eMolecules: 6165366
Molport: MolPort-003-715-602
AKOS: AKOS001485339
ChemDiv: 1711-1307
Mcule: MCULE-3484210222...10 total

ref: mol2, SDF, SMILES, flexibase
5.75,-2.87,-18.33,2,4,0, 419.278, 3
4177535
 
#80

eMolecules: 6165394
Molport: MolPort-003-715-616
AKOS: AKOS001485301
ChemDiv: 1711-1392
Mcule: MCULE-8163333246...10 total

ref: mol2, SDF, SMILES, flexibase
4.47,-0.45,-20.49,2,5,0, 376.334, 5

Similar to: 193150,
17130825
 
#81

eMolecules: 8246584
Molport: MolPort-023-227-585, MolPort-002-795-751
AKOS: AKOS001613271
American Custom Chemicals Corp.: CHM0193273
ChemDiv: 2203-2954...16 total

ref: mol2, SDF, SMILES, flexibase
4.10,6.98,-34.93,3,7,1, 381.408, 7
ref: mol2, SDF, SMILES, flexibase
4.10,6.15,-35.93,3,7,1, 381.408, 7
17135831
 
#82

eMolecules: 45794467
Molport: MolPort-003-013-052
AKOS: AKOS005733844
American Custom Chemicals Corp.: CHM0176622
Life Chemicals: F0346-4332...12 total

ref: mol2, SDF, SMILES, flexibase
3.58,5.48,-29.7,3,5,1, 309.345, 3
197531
 
#83

eMolecules: 26996042
Molport: MolPort-007-550-921
AKOS: AKOS001485526
American Custom Chemicals Corp.: HCH0164910
ChemDiv: 1926-2322...11 total

ref: mol2, SDF, SMILES, flexibase
4.25,5.89,-28.25,3,4,1, 313.764, 2
16890664
 
#84

eMolecules: 25981877
Molport: MolPort-001-675-164, MolPort-023-224-139
AKOS: AKOS005677900
Life Chemicals: F0803-0303
Mcule: MCULE-5966078936...17 total

ref: mol2, SDF, SMILES, flexibase
3.10,4.4,-34.1,3,6,1, 337.355, 4
ref: mol2, SDF, SMILES, flexibase
3.10,3.4,-32.48,3,6,1, 337.355, 4
197548
 
#85

eMolecules: 5426705
Molport: MolPort-003-013-814
AKOS: AKOS001485544
American Custom Chemicals Corp.: CHM0193118
ChemDiv: 1926-2331...12 total

ref: mol2, SDF, SMILES, flexibase
4.00,5.56,-29.6,3,5,1, 323.372, 4

Similar to: 193150,
866736
 
#86

AKOS: AKOS000559931
ChemDB: 5116586
ChemDiv (Depleted): 3209-0894
SMDC CDiv Carboxamide: 134913
Ambinter: Amb4362901...5 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.24,-16.53,3,8,0, 400.357, 6

Similar to: 33837994, 33837995, 33837997,
866735
 
#87

AKOS: AKOS000559931
ChemDB: 5116586
ChemDiv (Depleted): 3209-0894
SMDC CDiv Carboxamide: 134913
Ambinter: Amb4362901...5 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.5,-16.91,3,8,0, 400.357, 6

Similar to: 33837994, 33837995, 33837997,
866734
 
#88

AKOS: AKOS000559931
ChemDB: 5116586
ChemDiv (Depleted): 3209-0894
SMDC CDiv Carboxamide: 134913
Ambinter: Amb4362901...5 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.5,-17.12,3,8,0, 400.357, 6

Similar to: 33837994, 33837995, 33837997,
866733
 
#89

AKOS: AKOS000559931
ChemDB: 5116586
ChemDiv (Depleted): 3209-0894
SMDC CDiv Carboxamide: 134913
Ambinter: Amb4362901...5 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.24,-16.35,3,8,0, 400.357, 6
15931373
 
#90

Molport: MolPort-023-224-191
American Custom Chemicals Corp.: CHM0193443
Mcule: MCULE-8042384035
Specs: AK-968/15361499
ChemDB: 6712366...9 total

ref: mol2, SDF, SMILES, flexibase
4.34,6.98,-30.59,3,5,1, 345.378, 3
2758578
 
#91

eMolecules: 27003513
Molport: MolPort-002-795-694
AKOS: AKOS001608953
American Custom Chemicals Corp.: HCH0197651
ChemDiv: 2432-4557...13 total

ref: mol2, SDF, SMILES, flexibase
5.32,6.83,-30.07,3,4,1, 402.179, 3
184392
 
#92

eMolecules: 7728785
Molport: MolPort-001-498-965
AKOS: AKOS003263183
Mcule: MCULE-6540269789
Princeton BioMolecular Research: OSSL_062162...11 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.81,-10.42,3,5,0, 316.308, 3

Similar to: 4177421, 184389, 184390,
184390
 
#93

eMolecules: 7728785
Molport: MolPort-001-498-965
AKOS: AKOS003263183
Mcule: MCULE-6540269789
Princeton BioMolecular Research: OSSL_062162...11 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.34,-12.15,3,5,0, 316.308, 3

Similar to: 184392, 4177421, 184389,
184389
 
#94

eMolecules: 7728785
Molport: MolPort-001-498-965
AKOS: AKOS003263183
Mcule: MCULE-6540269789
Princeton BioMolecular Research: OSSL_062162...11 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.34,-12.15,3,5,0, 316.308, 3

Similar to: 184390, 184392, 4177421,
4177421
 
#95

eMolecules: 7728785
Molport: MolPort-001-498-965
AKOS: AKOS003263183
Mcule: MCULE-6540269789
Princeton BioMolecular Research: OSSL_062162...11 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.81,-10.42,3,5,0, 316.308, 3

Similar to: 184389, 184390, 184392,
4177417
 
#96

Mcule: MCULE-1106628161
SMDC CDiv Carboxamide: 134922
Zelinsky Institute (Depleted): UZI/9084202
AKOS (make-on-demand): AKOS005441740
Ambinter: Amb6476630...6 total

ref: mol2, SDF, SMILES, flexibase
1.63,-2.17,-13.69,3,7,0, 354.288, 3

Similar to: 4177418, 4177419, 4177420,
4177418
 
#97

Mcule: MCULE-1106628161
SMDC CDiv Carboxamide: 134922
Zelinsky Institute (Depleted): UZI/9084202
AKOS (make-on-demand): AKOS005441740
Ambinter: Amb6476630...6 total

ref: mol2, SDF, SMILES, flexibase
1.63,-2.61,-13.96,3,7,0, 354.288, 3

Similar to: 4177419, 4177420, 4177417,
4177419
 
#98

Mcule: MCULE-1106628161
SMDC CDiv Carboxamide: 134922
Zelinsky Institute (Depleted): UZI/9084202
AKOS (make-on-demand): AKOS005441740
Ambinter: Amb6476630...6 total

ref: mol2, SDF, SMILES, flexibase
1.63,-2.54,-18.23,3,7,0, 354.288, 3

Similar to: 4177420, 4177417, 4177418,
4177420
 
#99

Mcule: MCULE-1106628161
SMDC CDiv Carboxamide: 134922
Zelinsky Institute (Depleted): UZI/9084202
AKOS (make-on-demand): AKOS005441740
Ambinter: Amb6476630...6 total

ref: mol2, SDF, SMILES, flexibase
1.63,-2.21,-14.75,3,7,0, 354.288, 3

Similar to: 4177417, 4177418, 4177419,
18125846
 
#100

eMolecules: 206996027
Molport: MolPort-002-587-478
Scientific Exchange (make on demand): K-079073
AKOS: AKOS005432246
American Custom Chemicals Corp.: CHM0279354...18 total

ref: mol2, SDF, SMILES, flexibase
2.51,6.94,-11.7,2,6,0, 383.473, 6

Similar to: 5952584,

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 = 567 ) limit 0,100

Smiles were