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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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143547
 
#1

ChemMol: 2200000, 80100000
eMolecules: 836927
Scientific Exchange (make on demand): T-028742, E-083918
AK Scientific: 6678AD
AKOS: AKOS000115402...55 total

ref: mol2, SDF, SMILES, flexibase
1.84,1.57,-10.66,3,5,0, 278.333, 4

Similar to: 1167279, 14224199, 14224201,
357409
 
#2

ChemMol: 80100001, 2200001
eMolecules: 2212659
Scientific Exchange (make on demand): M-044215
AKOS: AKOS000118545
Alinda: IBS-L0045689...43 total

ref: mol2, SDF, SMILES, flexibase
1.73,-4.26,-10.82,2,4,0, 276.361, 4

Similar to: 20264236, 21816804, 37053610,
142735
 
#3

ChemMol: 2200002, 80100002
eMolecules: 828212
Scientific Exchange (make on demand): M-089707
AK Scientific: V6482
AKOS: AKOS000150934...47 total

ref: mol2, SDF, SMILES, flexibase
1.99,-6.63,-8.97,3,4,0, 254.355, 3

Similar to: 2182083, 34446397, 42176078,
359100
 
#4

ChemMol: 2200003, 80100003
eMolecules: 1995643
Scientific Exchange (make on demand): M-128082
AK Scientific: 4436AE
AKOS: AKOS000200214...47 total

ref: mol2, SDF, SMILES, flexibase
2.40,4.46,-10.55,2,4,0, 276.361, 4
286770
 
#5

ChemMol: 2200004, 80100004
eMolecules: 1369733
Molport: MolPort-000-900-609
Scientific Exchange (make on demand): E-009991
AK Scientific: 6955AD...39 total

ref: mol2, SDF, SMILES, flexibase
2.60,-4.92,-10.24,3,4,0, 276.361, 3

Similar to: 1164709, 6270309, 37055702,
141883
 
#6

ChemMol: 80100005, 2200005
eMolecules: 729305
Molport: MolPort-000-900-610
Scientific Exchange (make on demand): M-169096
AK Scientific: 3448AD...60 total

ref: mol2, SDF, SMILES, flexibase
1.78,2.28,-9.81,3,4,0, 248.307, 3

Similar to: 38222664,
359035
 
#7

ChemMol: 80100006, 2200006
eMolecules: 1564528
Molport: MolPort-000-900-611
Scientific Exchange (make on demand): M-170344
AK Scientific: 6132AE...55 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.17,-10.53,3,4,0, 276.361, 5

Similar to: 32147039, 32199056, 34403664, 34403666, 34647742, ... 8 in total.
3684633
 
#8

ChemMol: 2200007, 44021794, 80100007
eMolecules: 631387
Scientific Exchange (make on demand): Z-099881
Acros Organics: 45037
AK Scientific: Z3233...80 total

ref: mol2, SDF, SMILES, flexibase
1.62,4.17,-8.19,2,3,0, 197.259, 2

Similar to: 36224483,
35797
 
#9

ChemMol: 2200008, 80100008, 44021753
eMolecules: 631420
Scientific Exchange: ABC17588
Scientific Exchange (make on demand): POD_84/0075
ACB Blocks: AME-0231...83 total

ref: mol2, SDF, SMILES, flexibase
2.00,5.1,-8.05,2,3,0, 211.286, 3

Similar to: 33836114, 36224340, 36224483, 36224484, ... 4 in total.
126979
 
#10

ChemMol: 80100009, 44012089, 2200009
eMolecules: 440455
Scientific Exchange: POD_03/0777
ACB Blocks: ACT-0026
AK Scientific: HTS000448...100 total

ref: mol2, SDF, SMILES, flexibase
2.06,-0.59,-6.3,2,2,0, 178.26, 0

Similar to: 34342724,
3882867
 
#11

ChemMol: 2200010, 80100010
eMolecules: 440445
Scientific Exchange (make on demand): POD_97/0166
AK Scientific: X0157, HTS001330
AKOS: AKOS000111620...74 total

ref: mol2, SDF, SMILES, flexibase
2.14,-0.92,-7.56,2,3,0, 211.286, 2
35815
 
#12

ChemMol: 2200011, 80100011
eMolecules: 440443
Scientific Exchange: POD_03/0324
ACB Blocks: AME-0026
Acorn PharmaTech: ACN-S001659...94 total

ref: mol2, SDF, SMILES, flexibase
2.52,5.64,-7.76,2,3,0, 225.313, 3

Similar to: 34342725, 36224408, 36225045, 36225046, ... 4 in total.
246428
 
#13

ChemMol: 80100013, 2200013
eMolecules: 1365165
Scientific Exchange (make on demand): R-079266
AKOS: AKOS000200951
Alinda: IBS-L0060215...49 total

ref: mol2, SDF, SMILES, flexibase
1.74,-5.14,-9.68,2,4,0, 254.355, 2

Similar to: 37054920,
143129
 
#14

ChemMol: 2200014, 80100014
eMolecules: 1365169
Molport: MolPort-000-900-612
Scientific Exchange (make on demand): T-001658
AK Scientific: 9966AD...45 total

ref: mol2, SDF, SMILES, flexibase
2.02,4.28,-11.09,2,4,0, 274.345, 2

Similar to: 34226590, 34226591, 36450678, 44267819, ... 4 in total.
128944
 
#15

ChemMol: 2200015, 80100015
eMolecules: 723320
Scientific Exchange (make on demand): T-066451
Acros Organics: TL00817
AK Scientific: V7026...72 total

ref: mol2, SDF, SMILES, flexibase
1.24,2.36,-8.94,2,4,0, 240.328, 2

Similar to: 34974909, 37094355, 41681763,
128956
 
#16

ChemMol: 80100016, 2200016
eMolecules: 828856
Scientific Exchange (make on demand): X-011806
AK Scientific: V8606
AKOS: AKOS000115555...75 total

ref: mol2, SDF, SMILES, flexibase
0.73,1.51,-9.86,2,4,0, 226.301, 2

Similar to: 34974909, 37052823, 37094355, 37097892, ... 4 in total.
287921
 
#17

ChemMol: 80100017, 2200017
eMolecules: 1365173
Scientific Exchange (make on demand): T-060917
AK Scientific: 9967AD
AKOS: AKOS000267318...50 total

ref: mol2, SDF, SMILES, flexibase
1.48,-5.21,-8.75,2,4,0, 254.355, 2

Similar to: 36720936, 36882935, 37054224, 42352836, ... 4 in total.
128959
 
#18

ChemMol: 80100018, 83603178, 2200018
eMolecules: 707151
Scientific Exchange (make on demand): R-099722
ACB Blocks: MIX-0615
Acros Organics: TL00826...94 total

ref: mol2, SDF, SMILES, flexibase
0.17,-0.09,-10.04,2,5,0, 242.3, 2

Similar to: 34456636, 37054358, 42460385,
143138
 
#19

ChemMol: 2200019, 80100019
eMolecules: 828848
Scientific Exchange (make on demand): T-060916
AK Scientific: V3751
AKOS: AKOS000115556...58 total

ref: mol2, SDF, SMILES, flexibase
1.08,2.08,-9.35,2,4,0, 228.317, 4

Similar to: 1558010, 37079190, 37094355,
89763
 
#20

ChemMol: 2200020, 80100020
eMolecules: 511895
Molport: MolPort-023-221-936
Scientific Exchange (make on demand): X-030844
AK Scientific: H463...171 total

ref: mol2, SDF, SMILES, flexibase
0.61,1.11,-55.19,2,6,-1, 252.275, 3
lo: mol2, SDF, SMILES, flexibase
0.61,1.11,-14.38,3,6,0, 253.283, 3

Similar to: 5091174, 5729377, 7422833, 34645124, 37052608, ... 9 in total.
142942
 
#21

ChemMol: 2200023, 80100023
eMolecules: 816105
Scientific Exchange (make on demand): Z-068956
AKOS: AKOS000108518
Alinda: IBS-L0057826...88 total

ref: mol2, SDF, SMILES, flexibase
3.79,6.3,-8.5,2,2,0, 240.331, 1

Similar to: 5316455, 6118730, 6578431,
286772
 
#22

ChemMol: 2200024, 80100024
eMolecules: 828206
Molport: MolPort-000-900-524
Scientific Exchange (make on demand): Q-021634
AKOS: AKOS000138013...31 total

ref: mol2, SDF, SMILES, flexibase
2.60,-4.43,-9.56,3,4,0, 276.361, 3

Similar to: 1157824, 14224050, 14224068, 14224133, 14224134, ... 5 in total.
2572674
 
#23

ChemMol: 2200027, 80100027
eMolecules: 2566736
Molport: MolPort-000-900-615
Scientific Exchange (make on demand): F-066127
AK Scientific: 1228AF...31 total

ref: mol2, SDF, SMILES, flexibase
2.60,3.62,-9.8,3,4,0, 276.361, 3
hi: mol2, SDF, SMILES, flexibase
2.60,3.65,-51.28,2,4,-1, 275.353, 3

Similar to: 3192985, 34955517, 36476250,
286774
 
#24

ChemMol: 80100028, 2200028
eMolecules: 1369735
Molport: MolPort-000-900-616
Scientific Exchange (make on demand): Q-029590, E-083916
AK Scientific: 6679AD...51 total

ref: mol2, SDF, SMILES, flexibase
2.21,2.5,-10.48,3,5,0, 292.36, 5
357408
 
#25

ChemMol: 2200029, 97802018, 44022763, 30110769, 80100029
eMolecules: 828858
Scientific Exchange (make on demand): M-169103
AK Scientific: X6042
AKOS: AKOS000146505...51 total

ref: mol2, SDF, SMILES, flexibase
1.27,0.45,-9.11,3,4,0, 228.317, 3

Similar to: 34485967, 34974913, 37054407,
167758
 
#26

ChemMol: 2200030, 80100030
eMolecules: 45579246, 828842
Scientific Exchange (make on demand): M-194966
AK Scientific: X8164
AKOS: AKOS000200216...77 total

ref: mol2, SDF, SMILES, flexibase
0.33,0.35,-9.69,2,4,0, 200.263, 2

Similar to: 32147077, 34335440, 34428501,
34867475
 
#27

ChemMol: 2200031, 80100031
eMolecules: 727729
Scientific Exchange (make on demand): M-315632
AK Scientific: 7349AD
AKOS: AKOS000118250...69 total

ref: mol2, SDF, SMILES, flexibase
0.22,-0.14,-9.43,2,5,0, 255.343, 2

Similar to: 35741529, 36220518, 39240098, 41681794, 41681795, ... 10 in total.
128301
 
#28

ChemMol: 2200032, 80100032
eMolecules: 670647
Scientific Exchange (make on demand): R-081305
AK Scientific: 5783AE
AKOS: AKOS000111774...56 total

ref: mol2, SDF, SMILES, flexibase
2.47,-2.36,-6.56,3,3,0, 218.3, 2

Similar to: 5846576, 34457543, 34457544, 34477975, 34546975, ... 11 in total.
357412
 
#29

ChemMol: 2200033, 80100033
eMolecules: 2251371
Scientific Exchange (make on demand): M-315961
AK Scientific: 7220AE
AKOS: AKOS000200905...42 total

ref: mol2, SDF, SMILES, flexibase
2.02,3.77,-10.84,2,4,0, 262.334, 3

Similar to: 35794764, 55630880, 55630918, 55630981, ... 4 in total.
2716166
 
#30

ChemMol: 2200034, 80100034
eMolecules: 828866
Scientific Exchange (make on demand): M-586653
AK Scientific: 0044AB
AKOS: AKOS000268331...39 total

ref: mol2, SDF, SMILES, flexibase
1.62,-3.57,-9.24,2,4,0, 252.339, 6

Similar to: 34234515, 34472247, 34955648, 34974927, ... 4 in total.
122548
 
#31

ChemMol: 2200035, 80100035
eMolecules: 666491
Molport: MolPort-000-900-617
Scientific Exchange (make on demand): X-087107
AK Scientific: 9132AE...47 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.65,-8.99,2,4,0, 268.382, 3

Similar to: 36786232, 36786233, 36786246, 36786247, 36788181, ... 26 in total.
359206
 
#32

ChemMol: 80100036, 2200036
eMolecules: 828852
Scientific Exchange (make on demand): M-369933
AK Scientific: V6481
AKOS: AKOS000117758...59 total

ref: mol2, SDF, SMILES, flexibase
0.76,0.03,-9.51,3,4,0, 214.29, 3

Similar to: 34485967, 34974913, 37054471,
36007030
 
#33

ChemMol: 2200037, 80100037
eMolecules: 832907
Scientific Exchange (make on demand): M-125346
AK Scientific: 2418AF
AKOS: AKOS000122542...67 total

ref: mol2, SDF, SMILES, flexibase
-1.12,-1.26,-7.07,2,5,0, 172.184, 3

Similar to: 3882741,
36007031
 
#34

ChemMol: 2200037, 80100037
eMolecules: 832907
Scientific Exchange (make on demand): M-125346
AK Scientific: 2418AF
AKOS: AKOS000122542...68 total

ref: mol2, SDF, SMILES, flexibase
-1.12,-1.1,-8.57,2,5,0, 172.184, 3

Similar to: 3882741,
34781188
 
#35

ChemMol: 2200038, 44030420, 80100038
eMolecules: 658361
Molport: MolPort-000-003-683
Scientific Exchange (make on demand): M-420327
Acros Organics: CD11371...78 total

ref: mol2, SDF, SMILES, flexibase
-0.75,-0.33,-6.86,2,5,0, 186.211, 4
34781189
 
#36

ChemMol: 2200038, 44030420, 80100038
eMolecules: 658361, 26262549
Molport: MolPort-002-506-862, MolPort-000-003-683
Scientific Exchange (make on demand): M-420327
Acros Organics: CD11371...87 total

ref: mol2, SDF, SMILES, flexibase
-0.75,-0.18,-8.38,2,5,0, 186.211, 4
36105465
 
#37

ChemMol: 80100039, 2200039
eMolecules: 1527002
Molport: MolPort-001-627-481
Scientific Exchange (make on demand): M-532201
AKOS: AKOS000319507...32 total

ref: mol2, SDF, SMILES, flexibase
0.47,2.71,-7.8,2,5,0, 248.282, 5

Similar to: 38285285, 34468328, 34645550, 556241, 556242, ... 5 in total.
36105468
 
#38

ChemMol: 80100039, 2200039
eMolecules: 1527002
Molport: MolPort-001-627-481
Scientific Exchange (make on demand): M-532201
AKOS: AKOS000319507...32 total

ref: mol2, SDF, SMILES, flexibase
0.47,2.87,-9.31,2,5,0, 248.282, 5

Similar to: 38285285, 34468328, 34645550, 556241, 556242, ... 5 in total.
556245
 
#39

ChemMol: 80100040, 2200040
eMolecules: 3763581
Scientific Exchange (make on demand): M-532380
AK Scientific: 5510AD
AKOS: AKOS000148338...47 total

ref: mol2, SDF, SMILES, flexibase
1.48,2.38,-10.15,3,4,0, 262.334, 4

Similar to: 32112426, 32122427,
2821740
 
#40

ChemMol: 2200041, 80100041
eMolecules: 2203236
Molport: MolPort-000-900-619
Scientific Exchange (make on demand): M-532730
AK Scientific: 7358AD...36 total

ref: mol2, SDF, SMILES, flexibase
2.08,-4.33,-9.08,2,4,0, 256.371, 6

Similar to: 34955648, 34974927, 36789577, 36789582, 37053071, ... 25 in total.
4306902
 
#41

ChemMol: 2200042, 80100042
eMolecules: 3763607
Molport: MolPort-000-900-620
Scientific Exchange (make on demand): M-532731
AKOS: AKOS000319413...31 total

ref: mol2, SDF, SMILES, flexibase
2.85,-1.9,-6.96,2,3,0, 232.327, 3

Similar to: 39247369, 42188157, 52212883,
35679619
 
#42

ChemMol: 2200043, 80100043
eMolecules: 3763605
Molport: MolPort-001-595-043
Scientific Exchange (make on demand): M-532729
AK Scientific: 2808AF...30 total

ref: mol2, SDF, SMILES, flexibase
-0.24,0.47,-6.66,2,5,0, 200.238, 5
35679621
 
#43

ChemMol: 2200043, 80100043
eMolecules: 3763605
Molport: MolPort-001-595-043
Scientific Exchange (make on demand): M-532729
AK Scientific: 2808AF...30 total

ref: mol2, SDF, SMILES, flexibase
-0.24,0.63,-8.18,2,5,0, 200.238, 5
128305
 
#44

ChemMol: 80100044, 2200044
eMolecules: 1681810
Molport: MolPort-000-900-622
Scientific Exchange (make on demand): R-081297
AK Scientific: 6414AD...59 total

ref: mol2, SDF, SMILES, flexibase
2.37,-1.94,-8.17,3,3,0, 240.306, 4

Similar to: 36882855, 37839755, 37839765,
4137014
 
#45

ChemMol: 2200045, 80100045
eMolecules: 828864
Scientific Exchange (make on demand): M-533462
AK Scientific: 9791AC
AKOS: AKOS000268288...40 total

ref: mol2, SDF, SMILES, flexibase
0.73,-0.06,-9.39,3,4,0, 212.274, 4

Similar to: 34974907,
3886415
 
#46

ChemMol: 80100046, 2200046
eMolecules: 811218
Molport: MolPort-000-900-623
Scientific Exchange (make on demand): R-009037
AK Scientific: 5410AE...47 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.82,-6.38,3,3,0, 226.279, 3

Similar to: 41653144, 41653150,
144247
 
#47

ChemMol: 2200047, 80100047
eMolecules: 3763623
Molport: MolPort-000-900-624
Scientific Exchange (make on demand): M-533461
AK Scientific: 6415AD...32 total

ref: mol2, SDF, SMILES, flexibase
2.74,-1.53,-8.54,2,3,0, 254.333, 5
556149
 
#48

ChemMol: 80100048, 2200048
eMolecules: 3763625
Molport: MolPort-000-900-625
Scientific Exchange: M-586742
AK Scientific: 5647AE...30 total

ref: mol2, SDF, SMILES, flexibase
2.34,-1.67,-6.71,2,3,0, 240.306, 4

Similar to: 33748226, 34440644, 39234828, 39247366, ... 4 in total.
35999494
 
#49

ChemMol: 2200049, 80100049
eMolecules: 3763627
Molport: MolPort-001-596-277
Scientific Exchange (make on demand): M-586743
AK Scientific: 7281AC...27 total

ref: mol2, SDF, SMILES, flexibase
-0.38,0.39,-6.87,2,5,0, 200.238, 4

Similar to: 39027698, 34469542, 556147, 556148, ... 4 in total.
35999495
 
#50

ChemMol: 2200049, 80100049
eMolecules: 3763627
Molport: MolPort-001-596-277
Scientific Exchange (make on demand): M-586743
AK Scientific: 7281AC...27 total

ref: mol2, SDF, SMILES, flexibase
-0.38,0.53,-8.38,2,5,0, 200.238, 4

Similar to: 39027698, 34469542, 556147, 556148, ... 4 in total.
2552034
 
#51

ChemMol: 80100050, 2200050
eMolecules: 2861651, 215704301
Molport: MolPort-000-900-627
Scientific Exchange (make on demand): M-621241
AK Scientific: 4253AE...42 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.38,-6.43,3,3,0, 176.219, 3
mid: mol2, SDF, SMILES, flexibase
1.28,0.67,-4.55,4,3,0, 177.227, 3
106731
 
#52

ChemMol: 2200051, 80100051
eMolecules: 46473695, 1400088
Molport: MolPort-000-900-628
Scientific Exchange (make on demand): M-619124, Q-004138
AK Scientific: 4972AE...70 total

ref: mol2, SDF, SMILES, flexibase
0.74,3.71,-7.92,2,3,0, 190.246, 1

Similar to: 36882790, 37094300, 37097712, 37839624, 37839716, ... 9 in total.
2589895
 
#53

ChemMol: 80100052, 2200052
eMolecules: 828850
Scientific Exchange (make on demand): M-621245
AK Scientific: 6110AE
AKOS: AKOS000140836...50 total

ref: mol2, SDF, SMILES, flexibase
0.96,0.16,-9.39,3,4,0, 214.29, 4

Similar to: 36746735,
134248
 
#54

ChemMol: 2200053, 80100053
eMolecules: 32355821, 2873370
Scientific Exchange: M-317600, Z-099964
AK Scientific: 2452AE
AKOS: AKOS000111605...78 total

ref: mol2, SDF, SMILES, flexibase
0.19,2.09,-7.44,2,4,0, 206.245, 1

Similar to: 36882795, 41663447,
35679627
 
#55

ChemMol: 2200054, 80100054
eMolecules: 3763759
Molport: MolPort-001-617-694
Scientific Exchange (make on demand): M-901587
AKOS: AKOS000319431...25 total

ref: mol2, SDF, SMILES, flexibase
0.46,2.44,-9.69,2,6,0, 278.308, 7
35679629
 
#56

ChemMol: 2200054, 80100054
eMolecules: 3763759
Molport: MolPort-001-617-694
Scientific Exchange (make on demand): M-901587
AKOS: AKOS000319431...25 total

ref: mol2, SDF, SMILES, flexibase
0.46,2.6,-11.4,2,6,0, 278.308, 7
36091332
 
#57

ChemMol: 80100055, 2200055
eMolecules: 1534075
Molport: MolPort-001-600-595
Scientific Exchange (make on demand): M-662173
AKOS: AKOS000319430...32 total

ref: mol2, SDF, SMILES, flexibase
1.20,4.27,-8.03,2,5,0, 276.336, 7
36091334
 
#58

ChemMol: 80100055, 2200055
eMolecules: 1534075
Molport: MolPort-001-600-595
Scientific Exchange (make on demand): M-662173
AKOS: AKOS000319430...32 total

ref: mol2, SDF, SMILES, flexibase
1.20,4.43,-9.46,2,5,0, 276.336, 7
73807
 
#59

ChemMol: 2200056, 80100056
eMolecules: 3763761
Molport: MolPort-000-900-631
Scientific Exchange (make on demand): M-901588
AK Scientific: 8342AE...35 total

ref: mol2, SDF, SMILES, flexibase
2.58,-4.34,-9.1,3,4,0, 276.361, 3

Similar to: 1152857, 14224050, 14224134, 34959311, 37011266, ... 5 in total.
150133
 
#60

ChemMol: 96700700, 2200057, 80100057
eMolecules: 858397
Molport: MolPort-000-893-965
Scientific Exchange (make on demand): R-009032
AK Scientific: V8117...65 total

ref: mol2, SDF, SMILES, flexibase
2.52,5.69,-6.76,3,3,0, 240.306, 3

Similar to: 37009615, 37009616, 37791161, 37791162, 37839659, ... 6 in total.
150134
 
#61

ChemMol: 96700700, 2200057, 80100057
eMolecules: 858397
Molport: MolPort-000-893-965
Scientific Exchange (make on demand): R-009032
AK Scientific: V8117...65 total

ref: mol2, SDF, SMILES, flexibase
2.52,5.68,-6.86,3,3,0, 240.306, 3

Similar to: 37009615, 37009616, 37791161, 37791162, 37839659, ... 6 in total.
280694
 
#62

ChemMol: 80100058, 2200058
eMolecules: 1355672
Molport: MolPort-001-499-383
Scientific Exchange: T-075165
Scientific Exchange (make on demand): F-183365...48 total

ref: mol2, SDF, SMILES, flexibase
0.94,2.07,-7.19,3,4,0, 220.272, 3

Similar to: 36768848, 36768849, 36768871, 36882887, 36882888, ... 12 in total.
280693
 
#63

ChemMol: 80100058, 2200058
eMolecules: 1355672
Molport: MolPort-001-499-383
Scientific Exchange: T-075165
Scientific Exchange (make on demand): F-183365...49 total

ref: mol2, SDF, SMILES, flexibase
0.94,2.12,-7.13,3,4,0, 220.272, 3

Similar to: 36768848, 36768849, 36768871, 36882887, 36882888, ... 12 in total.
134245
 
#64

ChemMol: 2200059, 80100059
eMolecules: 1288507
Molport: MolPort-000-876-515
Scientific Exchange: M-317601
Scientific Exchange (make on demand): R-009040...57 total

ref: mol2, SDF, SMILES, flexibase
1.25,4.47,-7.12,2,3,0, 204.273, 1

Similar to: 34612236, 34959021, 34959102, 37839716, 37839749, ... 8 in total.
98465
 
#65

ChemMol: 2200060, 80100060
eMolecules: 917858
Molport: MolPort-000-900-634
Scientific Exchange (make on demand): R-009039
AK Scientific: 0940AD...60 total

ref: mol2, SDF, SMILES, flexibase
1.75,3.13,-5.98,3,3,0, 192.262, 2
mid: mol2, SDF, SMILES, flexibase
1.82,1.74,-5.02,3,3,0, 192.262, 2

Similar to: 36798200, 37081484,
8715903
 
#66

ChemMol: 80100061, 2200061
eMolecules: 31661048, 2566590
Molport: MolPort-000-900-635
Scientific Exchange (make on demand): F-127548
AK Scientific: 7307AE...45 total

ref: mol2, SDF, SMILES, flexibase
1.74,6.44,-8.18,2,3,0, 240.306, 3

Similar to: 20192846, 34572159, 37839657, 37839665, 37839669, ... 7 in total.
134187
 
#67

ChemMol: 80100062, 2200062
eMolecules: 1301401
Molport: MolPort-000-900-636
Scientific Exchange (make on demand): R-009034
AK Scientific: 5047AD...45 total

ref: mol2, SDF, SMILES, flexibase
1.75,5.56,-6.8,2,3,0, 218.3, 1

Similar to: 34457543, 34457544, 34612236, 34959013, 37839749, ... 6 in total.
371097
 
#68

ChemMol: 80100063, 2200063
eMolecules: 1388695
Molport: MolPort-000-900-637
Scientific Exchange (make on demand): Q-005606
AK Scientific: 9964AC...59 total

ref: mol2, SDF, SMILES, flexibase
1.22,2.95,-7.13,3,4,0, 216.24, 3

Similar to: 36882800, 37839582, 37839633, 37839668, ... 4 in total.
377017
 
#69

ChemMol: 80100064, 2200064
eMolecules: 3769927
Molport: MolPort-000-900-638
Scientific Exchange: M-901655
AK Scientific: 8963AE...35 total

ref: mol2, SDF, SMILES, flexibase
2.25,-0.98,-7.15,2,3,0, 232.327, 2

Similar to: 5846576, 34457543, 34457544, 34522734, 34546975, ... 8 in total.
539602
 
#70

ChemMol: 2200065, 80100065
eMolecules: 1501292
Scientific Exchange (make on demand): M-278013
AK Scientific: 2617AE
AKOS: AKOS000111600...59 total

ref: mol2, SDF, SMILES, flexibase
1.49,5.06,-6.93,2,3,0, 218.3, 1

Similar to: 34959102, 36882789, 36882934, 37839624, 37839749, ... 12 in total.
36091336
 
#71

ChemMol: 2200066, 80100066
eMolecules: 1536892
Molport: MolPort-001-617-752
Scientific Exchange (make on demand): M-901653
AKOS: AKOS000319441...31 total

ref: mol2, SDF, SMILES, flexibase
-0.75,0,-8.94,2,6,0, 242.275, 5
36091337
 
#72

ChemMol: 2200066, 80100066
eMolecules: 1536892
Molport: MolPort-001-617-752
Scientific Exchange (make on demand): M-901653
AKOS: AKOS000319441...31 total

ref: mol2, SDF, SMILES, flexibase
-0.75,0.04,-8.74,2,6,0, 242.275, 5
36091339
 
#73

ChemMol: 2200066, 80100066
eMolecules: 1536892
Molport: MolPort-001-617-752
Scientific Exchange (make on demand): M-901653
AKOS: AKOS000319441...31 total

ref: mol2, SDF, SMILES, flexibase
-0.75,0.16,-9.9,2,6,0, 242.275, 5
36091340
 
#74

ChemMol: 2200066, 80100066
eMolecules: 1536892
Molport: MolPort-001-617-752
Scientific Exchange (make on demand): M-901653
AKOS: AKOS000319441...31 total

ref: mol2, SDF, SMILES, flexibase
-0.75,0.2,-10.48,2,6,0, 242.275, 5
198413
 
#75

ChemMol: 2200067, 80100067
eMolecules: 1198010
Molport: MolPort-000-900-640
Scientific Exchange: T-056701
Scientific Exchange (make on demand): F-139404...50 total

ref: mol2, SDF, SMILES, flexibase
2.70,-1.26,-8.78,3,4,0, 256.305, 4

Similar to: 37791196, 37791200, 37846788,
1926641
 
#76

ChemMol: 80100068, 2200068
eMolecules: 2323459
Molport: MolPort-000-900-641
Scientific Exchange (make on demand): M-737205
AK Scientific: 8257AD...33 total

ref: mol2, SDF, SMILES, flexibase
4.25,-1.94,-9.05,4,4,0, 303.365, 4

Similar to: 39247849,
6871404
 
#77

ChemMol: 2200069, 80100069
eMolecules: 3766966, 6256904
Molport: MolPort-000-900-642
Scientific Exchange (make on demand): M-757241
AK Scientific: 7459AE...67 total

ref: mol2, SDF, SMILES, flexibase
0.34,2.47,-7.44,2,3,0, 164.208, 1

Similar to: 33748226, 39247846,
4306887
 
#78

ChemMol: 2200071, 80100071
eMolecules: 5805873
Molport: MolPort-000-900-643
Scientific Exchange (make on demand): T-074685
AK Scientific: 7666AC...35 total

ref: mol2, SDF, SMILES, flexibase
3.09,-0.7,-7.8,3,3,0, 240.306, 2
170974
 
#79

ChemMol: 2200072, 80100072
eMolecules: 501979
Molport: MolPort-000-900-644
Scientific Exchange (make on demand): POD_85/0528
AK Scientific: 3178AB...56 total

ref: mol2, SDF, SMILES, flexibase
1.24,2.65,-6.71,3,3,0, 178.235, 2

Similar to: 36798200, 37081484, 37081487,
1926700
 
#80

ChemMol: 80100074, 2200074
eMolecules: 2862200
Scientific Exchange (make on demand): Q-005605
AK Scientific: V6670
AKOS: AKOS000117560...48 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.58,-6.63,3,3,0, 178.235, 3

Similar to: 32148359, 37094300, 37097712, 37110858, 39247366, ... 5 in total.
35907749
 
#81

ChemMol: 80100075, 2200075
eMolecules: 1542294
Molport: MolPort-001-614-361
Scientific Exchange (make on demand): M-814727
AK Scientific: 7273AC...33 total

ref: mol2, SDF, SMILES, flexibase
0.78,2.3,-6.61,2,5,0, 240.303, 4

Similar to: 35907750, 1926468, 1926469,
35907750
 
#82

ChemMol: 80100075, 2200075
eMolecules: 1542294
Molport: MolPort-001-614-361
Scientific Exchange (make on demand): M-814727
AK Scientific: 7273AC...33 total

ref: mol2, SDF, SMILES, flexibase
0.78,2.45,-8.24,2,5,0, 240.303, 4

Similar to: 35907749, 1926468, 1926469,
19735882
 
#83

ChemMol: 2200076, 80100076
eMolecules: 3767826
Molport: MolPort-000-900-646
Scientific Exchange (make on demand): M-814726
AK Scientific: 6789AD...28 total

ref: mol2, SDF, SMILES, flexibase
3.40,7.8,-11.15,2,5,0, 407.539, 5
35910707
 
#84

ChemMol: 2200077, 80100077
eMolecules: 1542516
Molport: MolPort-001-614-838
Scientific Exchange: M-836004
AKOS: AKOS000319468...31 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.48,-7.85,2,5,0, 262.309, 6

Similar to: 35910709, 1926717, 1926718,
35910709
 
#85

ChemMol: 2200077, 80100077
eMolecules: 1542516
Molport: MolPort-001-614-838
Scientific Exchange: M-836004
AKOS: AKOS000319468...31 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.64,-9.37,2,5,0, 262.309, 6

Similar to: 35910707, 1926717, 1926718,
19680804
 
#86

ChemMol: 80100078, 2200078
eMolecules: 2312364
Molport: MolPort-000-900-648
Scientific Exchange: M-199978
AK Scientific: 6200AD...35 total

ref: mol2, SDF, SMILES, flexibase
3.41,9.93,-7.64,2,4,0, 371.484, 4

Similar to: 4122993,
2029137
 
#87

ChemMol: 2200079, 80100079
eMolecules: 2873378
Molport: MolPort-000-900-649
Scientific Exchange (make on demand): Q-004135
AK Scientific: V5157...43 total

ref: mol2, SDF, SMILES, flexibase
0.94,1.82,-6.76,3,3,0, 164.208, 2
mid: mol2, SDF, SMILES, flexibase
1.01,0.26,-5.51,3,3,0, 164.208, 2

Similar to: 41664805,
1670233
 
#88

ChemMol: 2200080, 80100080
eMolecules: 489505
Molport: MolPort-000-900-650
Scientific Exchange (make on demand): F-241865
Acros Organics: 20661...58 total

ref: mol2, SDF, SMILES, flexibase
3.52,-0.39,-3.67,2,2,0, 193.29, 6

Similar to: 5820735, 36672006, 37113889, 39025481, ... 4 in total.
1686943
 
#89

ChemMol: 2200081, 80100081, 30105307
eMolecules: 490334
Scientific Exchange (make on demand): F-241866
AK Scientific: 6008AB
AKOS: AKOS000104366...68 total

ref: mol2, SDF, SMILES, flexibase
2.51,-0.63,-3.71,2,2,0, 165.236, 4

Similar to: 5820735, 31897351, 31897428, 36671799, 36671872, ... 7 in total.
5000139
 
#90

ChemMol: 80100082, 2200082
eMolecules: 1011583, 2555930
Molport: MolPort-002-313-421
Scientific Exchange (make on demand): F-241867, F-007265
AK Scientific: 4819AE...59 total

ref: mol2, SDF, SMILES, flexibase
2.19,-0.42,-3.61,2,2,0, 165.236, 3

Similar to: 36671799, 36671923, 39333867,
2584494
 
#91

ChemMol: 2200083, 80100083
eMolecules: 516712
Molport: MolPort-000-900-651
Scientific Exchange (make on demand): F-241868
AKOS: AKOS000104836...50 total

ref: mol2, SDF, SMILES, flexibase
1.95,3.38,-3.74,2,2,0, 151.209, 3

Similar to: 31897351, 36671679, 36671760, 36671788, 36671791, ... 9 in total.
119304
 
#92

ChemMol: 44016875, 44006672, 30109192, 80100084, 2200084
eMolecules: 479193, 851333
Molport: MolPort-000-891-038
Scientific Exchange (make on demand): R-091031, X-048262
Acros Organics: 15229...140 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.64,-5.02,2,2,0, 199.253, 3

Similar to: 31897225, 31897721, 34626505, 39254821, 39370388, ... 5 in total.
2037377
 
#93

ChemMol: 2200085, 80100085
eMolecules: 5767391
Molport: MolPort-000-900-652
Scientific Exchange (make on demand): F-241869
AK Scientific: 4820AE...31 total

ref: mol2, SDF, SMILES, flexibase
2.72,4.69,-3.61,2,2,0, 179.263, 4

Similar to: 36671881, 36671882, 36671923, 36672002, 39333867, ... 5 in total.
5000140
 
#94

ChemMol: 2200087, 80100087
eMolecules: 1011567
Scientific Exchange (make on demand): T-028785, F-007266
AK Scientific: 5430AD
AKOS: AKOS000104825...43 total

ref: mol2, SDF, SMILES, flexibase
1.72,3.17,-4.03,2,2,0, 149.193, 3
3885433
 
#95

ChemMol: 2200088, 44012090, 80100088
eMolecules: 631389
Scientific Exchange (make on demand): POD_59/0301
ACB Blocks: ACT-0231
AK Scientific: Z2493...86 total

ref: mol2, SDF, SMILES, flexibase
1.55,3.88,-6.85,2,2,0, 164.233, 0
4384328
 
#96

ChemMol: 2200089, 80100089
eMolecules: 1522752
Molport: MolPort-002-017-585, MolPort-016-633-857
Scientific Exchange (make on demand): F-241870
AKOS: AKOS000129237...43 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.89,-6.43,2,3,0, 193.246, 3

Similar to: 4384329, 31979953, 34433671, 34433674, 34639037, ... 18 in total.
4384329
 
#97

ChemMol: 2200089, 80100089
eMolecules: 1522752
Molport: MolPort-002-017-585, MolPort-016-633-857
Scientific Exchange (make on demand): F-241870
AKOS: AKOS000129237...43 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.94,-6.49,2,3,0, 193.246, 3

Similar to: 31979953, 34433671, 34433674, 34639037, 36671666, ... 18 in total.
2165121
 
#98

ChemMol: 80100090, 2200090
eMolecules: 1106899
Molport: MolPort-000-900-654
Scientific Exchange (make on demand): M-938367
AK Scientific: 1572AE...36 total

ref: mol2, SDF, SMILES, flexibase
2.75,-0.9,-7.39,2,3,0, 229.279, 5

Similar to: 32110937, 32120372, 32125912, 32125913, 32142826, ... 7 in total.
35485735
 
#99

ChemMol: 80100091, 2200091
eMolecules: 3769655
Molport: MolPort-002-773-518
Scientific Exchange (make on demand): M-939770
AKOS: AKOS000319485...25 total

ref: mol2, SDF, SMILES, flexibase
0.32,1.25,-6.51,2,5,0, 214.265, 6

Similar to: 35485737, 5707659, 5707660,
35485737
 
#100

ChemMol: 80100091, 2200091
eMolecules: 3769655
Molport: MolPort-002-773-518
Scientific Exchange (make on demand): M-939770
AKOS: AKOS000319485...25 total

ref: mol2, SDF, SMILES, flexibase
0.32,1.41,-8.1,2,5,0, 214.265, 6

Similar to: 5707659, 5707660, 35485735,

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 = 368 ) limit 0,100

Smiles were