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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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4217500
 
#1

ChemMol: 44014632, 2100079, 30117026, 97900777
Active BioPharma: 1619
American Custom Chemicals Corp.: API0006368
APIChem: AC-23956
BePharm Building Blocks: B152356...44 total

ref: mol2, SDF, SMILES, flexibase
-0.63,-0.07,-28.91,5,12,0, 405.415, 6
mid: mol2, SDF, SMILES, flexibase
-0.63,0.42,-52.74,6,12,1, 406.423, 6
mid: mol2, SDF, SMILES, flexibase
-0.63,0.44,-52.52,6,12,1, 406.423, 6

Similar to: 26188367, 26253389, 26258717, 26259505, 26260777, ... 18 in total.
86012952
 
#2

eMolecules: 526347, 33449821
Molport: MolPort-019-922-340, MolPort-001-030-129
ACB Blocks: ATI-0035
Acros Organics: 43249
AK Scientific: W4250...86 total

16052277
 
#3

Molport: MolPort-003-666-171
AK Scientific: I015
American Custom Chemicals Corp.: API0002491, API0009317
APIChem: AC-6017
BioSynth: W-105517...72 total

ref: mol2, SDF, SMILES, flexibase
-0.43,0.98,-89.55,6,10,-1, 443.432, 2
ref: mol2, SDF, SMILES, flexibase
-0.56,-4.34,-53.29,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-2.25,-57.18,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.43,-0.95,-119.1,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-1.14,-138.65,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.98,-115.98,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.43,1.01,-116.14,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-0.29,-56.08,7,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-0.43,-1.12,-136.18,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,-1.34,-55.02,8,10,1, 445.448, 1
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.19,-69.73,6,10,-1, 443.432, 1
hi: mol2, SDF, SMILES, flexibase
-1.16,-1.12,-156.22,5,10,-2, 442.424, 1
hi: mol2, SDF, SMILES, flexibase
-0.87,1.58,-169.04,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.24,-69.99,6,10,-1, 443.432, 1
lo: mol2, SDF, SMILES, flexibase
-0.56,-2.33,-53.6,7,10,0, 444.44, 2
lo: mol2, SDF, SMILES, flexibase
-0.43,-0.11,-48.39,7,10,0, 444.44, 2

Similar to: 16248873, 31672726, 33848905, 44123721, ... 4 in total.
53022902
 
#4

eMolecules: 29550700
Molport: MolPort-003-940-991
AK Scientific: K100, V2191, H211
Amadis Chemical: A845532
APIChem: AC-5497...63 total

52971887
 
#5

eMolecules: 29550700
Molport: MolPort-003-940-991
AK Scientific: H211, K100, V2191
Amadis Chemical: A845532
APIChem: AC-388...70 total

39080521
 
#6

ChemMol: 2102243
Chembo Pharma: KB-105941
Chemstep: 42053
Focus Synthesis BB: FS010237
AKOS BB (make-on-demand): AKOS015969204...10 total

ref: mol2, SDF, SMILES, flexibase
0.68,4.59,-90.28,3,2,2, 156.273, 2
hi: mol2, SDF, SMILES, flexibase
0.68,1.66,-36.59,2,2,1, 155.265, 2
90374848
 
#7

Focus Synthesis BB: FS008614
ref: mol2, SDF, SMILES, flexibase
3.29,10.78,-57.38,1,8,-1, 435.456, 7
15041869
 
#8

ChemMol: 2100016
Chembo Pharma: KB-82970
Focus Synthesis BB: FS001685
Ryan Scientific BB: 048-10212
AKOS BB (make-on-demand): AKOS015969352...11 total

ref: mol2, SDF, SMILES, flexibase
1.11,4.63,-39.44,2,1,1, 176.33, 0
15041882
 
#9

ChemMol: 2101549
Chembo Pharma: KB-221620
Focus Synthesis BB: FS001231
Molport BB: MolPort-000-149-832
Ryan Scientific BB: 048-10094...12 total

ref: mol2, SDF, SMILES, flexibase
3.24,5.68,-4.82,0,1,0, 227.101, 1
15041884
 
#10

ChemMol: 2101549
Chembo Pharma: KB-221620
Focus Synthesis BB: FS001231
Molport BB: MolPort-000-149-832
Ryan Scientific BB: 048-10094...12 total

ref: mol2, SDF, SMILES, flexibase
3.24,5.68,-4.7,0,1,0, 227.101, 1
15041934
 
#11

ChemMol: 2100105
Chembo Pharma: KB-25859
Focus Synthesis BB: FS000461
Ryan Scientific BB: 048-10093
Tetrahedron Building Blocks: TS14576...10 total

ref: mol2, SDF, SMILES, flexibase
1.80,4.22,-6.23,0,3,0, 180.203, 3
15041936
 
#12

ChemMol: 2100106
Chembo Pharma: KB-87516
Focus Synthesis BB: FS000462
Ryan Scientific BB: 048-10092
Tetrahedron Building Blocks: TS68221...9 total

ref: mol2, SDF, SMILES, flexibase
2.61,4.85,-5.41,0,3,0, 259.099, 3
15041939
 
#13

ChemMol: 2100108
Chembo Pharma: KB-87518
Focus Synthesis BB: FS000464
Ryan Scientific BB: 048-10090
Tetrahedron Building Blocks: TS68239...9 total

ref: mol2, SDF, SMILES, flexibase
2.56,4.87,-6.91,0,3,0, 259.099, 3
15041943
 
#14

ChemMol: 2100109
Chembo Pharma: KB-87519
Focus Synthesis BB: FS000465
Ryan Scientific BB: 048-10089
Tetrahedron Building Blocks: TS51829...8 total

ref: mol2, SDF, SMILES, flexibase
2.25,4.9,-6.19,0,3,0, 194.23, 3

Similar to: 34611096, 36469932,
15041945
 
#15

ChemMol: 2100111
Chembo Pharma: KB-14179
Focus Synthesis BB: FS000467
Ryan Scientific BB: 048-10087
Tetrahedron Building Blocks: TS17863...9 total

ref: mol2, SDF, SMILES, flexibase
2.20,4.94,-6.16,0,3,0, 194.23, 3

Similar to: 34523102, 39644540,
15041949
 
#16

ChemMol: 2100112
Ark Pharm Building Blocks: AK135139
Chembo Pharma: KB-87521
Fluorochem: 080052
Focus Synthesis BB: FS000468...11 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.29,-5.95,0,3,0, 198.193, 3
15041953
 
#17

ChemMol: 2100113
Chembo Pharma: KB-87522
Fluorochem: 400277
Focus Synthesis BB: FS000469
Ryan Scientific BB: 048-10085...9 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.3,-7.85,0,3,0, 198.193, 3
15041957
 
#18

ChemMol: 2100114
Chembo Pharma: KB-87523
Fluorochem: 400486
Focus Synthesis BB: FS000470
Ryan Scientific BB: 048-10084...10 total

ref: mol2, SDF, SMILES, flexibase
1.91,4.3,-8.74,0,3,0, 198.193, 3
15041963
 
#19

ChemMol: 2100115
Chembo Pharma: KB-83952
Focus Synthesis BB: FS000471
Ryan Scientific BB: 048-10189
Tetrahedron Building Blocks: TS20540...12 total

ref: mol2, SDF, SMILES, flexibase
1.54,4.01,-8.57,0,4,0, 208.213, 4

Similar to: 34523932, 39022830, 39046401,
15041967
 
#20

ChemMol: 2100116
Fluorochem: 392637
Focus Synthesis BB: FS000472
Ryan Scientific BB: 048-10083
Tetrahedron Building Blocks: TS20533...13 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.95,-9.53,0,4,0, 208.213, 4
15041969
 
#21

ChemMol: 2100117
Chembo Pharma: KB-83245
Focus Synthesis BB: FS000473
Ryan Scientific BB: 048-10208
Tetrahedron Building Blocks: TS23974...11 total

ref: mol2, SDF, SMILES, flexibase
1.76,4.89,-8.81,0,6,0, 225.2, 4
15041973
 
#22

ChemMol: 2100118
Chembo Pharma: KB-87524
Focus Synthesis BB: FS000474
Ryan Scientific BB: 048-10082
Tetrahedron Building Blocks: TS43795...9 total

ref: mol2, SDF, SMILES, flexibase
1.83,3.52,-8.22,0,4,0, 210.229, 4

Similar to: 39260737, 41244136,
15041981
 
#23

ChemMol: 2100119
Focus Synthesis BB: FS000476
Ryan Scientific BB: 048-10081
Tetrahedron Building Blocks: TS28321
Tractus: TRA0138976...9 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.81,-10.52,0,5,0, 252.266, 6
15042090
 
#24

ChemMol: 2100149
Chembo Pharma: KB-87565
Enamine Building Blocks: EN300-134686
Fluorochem: 317583
Focus Synthesis BB: FS000661...17 total

ref: mol2, SDF, SMILES, flexibase
1.63,1.17,-4.27,2,2,0, 193.069, 0
12496736
 
#25

ChemMol: 2100155
Focus Synthesis BB: FS000681
Tetrahedron Building Blocks: TS48867
PubChem: 11171412
SynQuest BB (Depleted: 71141...5 total

ref: mol2, SDF, SMILES, flexibase
1.70,3.99,-7.65,0,4,0, 186.207, 3
15042121
 
#26

ChemMol: 97805476, 44018889, 30115777, 2100157
Acros Organics: 44661
AK Scientific: W8776
Alfa-Aesar: H33841
Angene Building Blocks: AGN-PC-01LQSN...48 total

ref: mol2, SDF, SMILES, flexibase
2.06,5.63,-10.11,0,2,0, 197.035, 0
mid: mol2, SDF, SMILES, flexibase
2.06,6.12,-28.31,1,2,1, 198.043, 0
15042140
 
#27

ChemMol: 2100158
Focus Synthesis BB: FS000696
Ryan Scientific BB: 048-10226
Tetrahedron Building Blocks: TS23490
Toronto Research Chemicals: B398200...20 total

ref: mol2, SDF, SMILES, flexibase
3.11,6.64,-42.67,0,4,-1, 221.243, 2
lo: mol2, SDF, SMILES, flexibase
3.11,6.73,-8.94,1,4,0, 222.251, 2

Similar to: 34527565,
15042168
 
#28

ChemMol: 2100161
Ark Pharm Building Blocks: AK-28170
Chembo Pharma: KB-33734
Focus Synthesis BB: FS000719
Molport BB: MolPort-000-149-987...9 total

ref: mol2, SDF, SMILES, flexibase
2.66,3.67,-7.77,0,2,0, 224.057, 1

Similar to: 39320801,
15042225
 
#29

ChemMol: 2100165
AK Scientific: W8777
AKOS: AKOS008228580
Angene Building Blocks: AGN-PC-0UWT2Q
Anward: ANW-51829...28 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.44,-4.6,0,3,0, 214.066, 1
15042230
 
#30

ChemMol: 2100166
Chembo Pharma: KB-10546
Focus Synthesis BB: FS000768
Ryan Scientific BB: 048-10136
Tractus: TRA0165316...9 total

ref: mol2, SDF, SMILES, flexibase
-1.07,-2.02,-17.49,2,4,0, 142.158, 0
15042464
 
#31

ChemMol: 44018746, 2100184
AK Scientific: W5075
Aldrich CPR: SYX00436|ALDRICH
Angene Building Blocks: AGN-PC-005BLN
Anward: ANW-54067...36 total

ref: mol2, SDF, SMILES, flexibase
2.36,5.95,-5.31,0,3,0, 197.278, 2

Similar to: 34551554, 34551556,
15042485
 
#32

ChemMol: 2100195
AK Scientific: 2330AC
Ark Pharm Building Blocks: AK115286
BePharm Building Blocks: B89645
Chembo Pharma: KB-33605...16 total

ref: mol2, SDF, SMILES, flexibase
2.44,6.58,-9.09,0,4,0, 235.283, 7

Similar to: 37138971,
15042489
 
#33

ChemMol: 2100196
Chembo Pharma: KB-15224
Enamine Building Blocks: EN300-93950
Focus Synthesis BB: FS011331
Molport BB: MolPort-000-150-121...13 total

ref: mol2, SDF, SMILES, flexibase
1.04,3.09,-10.72,0,3,0, 180.232, 1
15042492
 
#34

ChemMol: 97802396, 44016745, 30113174, 2100197
eMolecules: 4351496
Molport: MolPort-016-965-544
AK Scientific: 6836AC, 0077AD
Alinda Building Blocks: ALBB-016398...70 total

ref: mol2, SDF, SMILES, flexibase
0.55,0.98,-43.46,4,3,1, 156.234, 0
lo: mol2, SDF, SMILES, flexibase
0.55,1.21,-92.73,5,3,2, 157.242, 0

Similar to: 34433906,
15042516
 
#35

ChemMol: 2100200
AK Scientific: 6615AA
Anward: ANW-57205
Ark Pharm Building Blocks: AK-58788
BePharm Building Blocks: B76600...17 total

ref: mol2, SDF, SMILES, flexibase
-0.39,-1.86,-9.98,1,4,0, 150.203, 0

Similar to: 36731550, 36731553, 36731557,
15042557
 
#36

ChemMol: 2100204
Chembo Pharma: KB-105675
Focus Synthesis BB: FS011349
Ryan Scientific BB: 048-10077
AKOS BB (make-on-demand): AKOS015969319...7 total

ref: mol2, SDF, SMILES, flexibase
3.91,9.28,-4.14,0,0,0, 287.247, 0
15042564
 
#37

ChemMol: 2100207
Ark Pharm Building Blocks: AK-10001
Combi-Blocks: OR-8097
Fluorochem: 077191
Focus Synthesis BB: FS011354...13 total

ref: mol2, SDF, SMILES, flexibase
2.53,4.38,-7.35,2,3,0, 234.295, 3

Similar to: 43504763,
15042691
 
#38

ChemMol: 2100238
AK Scientific: 2196AA
Anward: ANW-56895
Ark Pharm Building Blocks: AK-99971
BePharm Building Blocks: B219412...19 total

ref: mol2, SDF, SMILES, flexibase
1.88,4.36,-12.84,0,2,0, 197.035, 1
lo: mol2, SDF, SMILES, flexibase
1.88,4.6,-39.11,1,2,1, 198.043, 1
15042742
 
#39

ChemMol: 2100248
Chembo Pharma: KB-21034
Focus Synthesis BB: FS011447
Tractus: TRA0166685
AKOS BB (make-on-demand): AKOS015969137...9 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.2,-9.29,0,4,0, 264.05, 4
5840701
 
#40

ChemMol: 44004549, 30105340, 42305378, 1031243, 30110266, 83600955, 98001119, 2100249
Scientific Exchange Building Blocks: F-368585
Acorn PharmaTech: ACN-S003795
AK Scientific: Q231, X8693
AKOS: AKOS000139186...106 total

ref: mol2, SDF, SMILES, flexibase
0.88,2.88,-55.47,3,2,1, 133.174, 1
hi: mol2, SDF, SMILES, flexibase
0.88,2.49,-5.41,2,2,0, 132.166, 1
hi: mol2, SDF, SMILES, flexibase
2.96,7.09,-43.29,7,9,1, 500.558, 6
2580673
 
#41

ChemMol: 2100329
Scientific Exchange Building Blocks: F-431398
Acros Organics: 43863
AK Scientific: 7519AB
AKOS: AKOS005151585...30 total

ref: mol2, SDF, SMILES, flexibase
2.13,4.88,-7.47,0,2,0, 147.177, 1

Similar to: 34458833, 36199334,
15042837
 
#42

ChemMol: 2100339
Aldrich CPR: CDS010438|ALDRICH
Chembo Pharma: KB-32660
Combi-Blocks: OR-1875
Focus Synthesis BB: FS001304...13 total

ref: mol2, SDF, SMILES, flexibase
1.89,6.38,-9.3,0,3,0, 202.257, 3
mid: mol2, SDF, SMILES, flexibase
2.32,4.9,-46.6,0,3,-1, 201.249, 3
15042844
 
#43

ChemMol: 2100342
Chembo Pharma: KB-08786
Focus Synthesis BB: FS001307
Ryan Scientific BB: 048-10074
Tetrahedron Building Blocks: TS68138...10 total

ref: mol2, SDF, SMILES, flexibase
2.08,3.57,-14.86,3,5,0, 258.277, 4

Similar to: 33727205,
15042876
 
#44

ChemMol: 96713786, 2100351
AK Scientific: 1699AE
Chembo Pharma: KB-30017
Focus Synthesis BB: FS000280
Matrix Scientific: 068490...20 total

ref: mol2, SDF, SMILES, flexibase
1.46,2.76,-1.66,0,1,0, 176.057, 0
15042943
 
#45

ChemMol: 30115661, 2100403
AK Scientific: W9266
AKOS: AKOS015835910
Aldrich CPR: CDS009365|ALDRICH
Angene Building Blocks: AGN-PC-0NHGN1...38 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.29,-6.74,0,2,0, 209.046, 0

Similar to: 35804014,
5974292
 
#46

ChemMol: 2100404, 83601897
AK Scientific: X9992
AKOS: AKOS015835989
Anward: ANW-50627
Ark Pharm Building Blocks: AK-24606...29 total

ref: mol2, SDF, SMILES, flexibase
1.73,3.5,-8.54,4,4,0, 239.076, 0
mid: mol2, SDF, SMILES, flexibase
1.73,3.84,-27.97,5,4,1, 240.084, 0
mid: mol2, SDF, SMILES, flexibase
1.73,-1.85,-29.62,5,4,1, 240.084, 0
2504561
 
#47

ChemMol: 2100419
eMolecules: 32262829
Ark Pharm Building Blocks: AK150803
Chembo Pharma: KB-46521
Enamine Building Blocks: EN300-75116...18 total

ref: mol2, SDF, SMILES, flexibase
3.31,6.52,-4.22,0,0,0, 148.23, 0

Similar to: 5749727,
15042979
 
#48

ChemMol: 2100423
AK Scientific: 4666AB
Ark Pharm Building Blocks: AK115938
BePharm Building Blocks: B87510
Chembo Pharma: KB-183065...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,6.92,-3.19,0,0,0, 260.099, 0
15042995
 
#49

ChemMol: 2100428, 44027373
AK Scientific: W3787
Angene Building Blocks: AGN-PC-0NK41V
Anward: ANW-41232
Ark Pharm Building Blocks: AK-27128...39 total

ref: mol2, SDF, SMILES, flexibase
3.69,6.49,-3.34,0,0,0, 213.099, 0
15043002
 
#50

ChemMol: 2100432
Chembo Pharma: KB-24604
Focus Synthesis BB: FS002046
J&K Chemical: A011496594
Molport BB: MolPort-000-150-478...17 total

ref: mol2, SDF, SMILES, flexibase
4.11,7.09,-3.29,0,0,0, 260.099, 0
15043023
 
#51

ChemMol: 2100440
Chembo Pharma: KB-41744
Focus Synthesis BB: FS002208
Tetrahedron Building Blocks: TS23489
AKOS BB (make-on-demand): AKOS015969336...10 total

ref: mol2, SDF, SMILES, flexibase
3.14,6.29,-42.92,0,4,-1, 221.243, 2
lo: mol2, SDF, SMILES, flexibase
3.14,6.38,-9.63,1,4,0, 222.251, 2
15043027
 
#52

ChemMol: 2100442, 2101452
eMolecules: 27662485
Molport: MolPort-008-011-198
AKOS: AKOS002339104
Chembo Pharma: KB-33876...30 total

ref: mol2, SDF, SMILES, flexibase
0.56,0.57,-10.68,1,5,0, 256.327, 3

Similar to: 36983627,
15043046
 
#53

ChemMol: 2100449
Chembo Pharma: KB-24451
Focus Synthesis BB: FS004001
Tetrahedron Building Blocks: TS67566
AKOS BB (make-on-demand): AKOS015969140...8 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.57,-21.08,3,6,0, 254.249, 2
mid: mol2, SDF, SMILES, flexibase
1.33,5.02,-43.6,4,6,1, 255.257, 2
15043048
 
#54

ChemMol: 2100450
Ark Pharm Building Blocks: AK-58197
Chembo Pharma: KB-14367
Focus Synthesis BB: FS004002
Tetrahedron Building Blocks: TS74416...12 total

ref: mol2, SDF, SMILES, flexibase
2.84,9.82,-14.4,0,3,0, 274.121, 1
mid: mol2, SDF, SMILES, flexibase
2.84,10.28,-31.11,1,3,1, 275.129, 1
15043052
 
#55

ChemMol: 2100455
Chembo Pharma: KB-40770
Focus Synthesis BB: FS005001
Ryan Scientific BB: 048-10061
Tetrahedron Building Blocks: TS44504...10 total

ref: mol2, SDF, SMILES, flexibase
0.96,0.05,-10.58,3,4,0, 214.224, 2

Similar to: 34539517, 34884910,
15043056
 
#56

ChemMol: 2100456
Chembo Pharma: KB-40757
Focus Synthesis BB: FS005002
Tetrahedron Building Blocks: TS28352
AKOS BB (make-on-demand): AKOS015969158...8 total

ref: mol2, SDF, SMILES, flexibase
2.58,8.1,-8.89,0,4,0, 252.273, 4

Similar to: 38213032,
15043063
 
#57

ChemMol: 2100460
Ark Pharm Building Blocks: AK-58666
Chembo Pharma: KB-14748
Focus Synthesis BB: FS004006
Tetrahedron Building Blocks: TS57915...9 total

ref: mol2, SDF, SMILES, flexibase
3.30,10.44,-15.72,0,3,0, 288.148, 1
mid: mol2, SDF, SMILES, flexibase
3.30,10.9,-32.01,1,3,1, 289.156, 1
15043067
 
#58

ChemMol: 2100461
Chembo Pharma: KB-87626
FineTech: FT-0627011
Focus Synthesis BB: FS004007
Tetrahedron Building Blocks: TS57914...8 total

ref: mol2, SDF, SMILES, flexibase
3.28,10.43,-17.91,0,3,0, 288.148, 1
mid: mol2, SDF, SMILES, flexibase
3.28,10.89,-31.69,1,3,1, 289.156, 1
15043076
 
#59

ChemMol: 2100463
AK Scientific: W4099
AKOS: AKOS015910925
Anward: ANW-46843
Ark Pharm Building Blocks: AK-24147...29 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.59,-7.36,0,2,0, 209.046, 0

Similar to: 39242435,
15043080
 
#60

ChemMol: 2100464, 44019002
AK Scientific: W9265
AKOS: AKOS015834795
Aldrich CPR: CDS006071|ALDRICH
Angene Building Blocks: AGN-PC-01LQVG...39 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.29,-5.32,0,2,0, 209.046, 0

Similar to: 32253944,
15043084
 
#61

ChemMol: 2100465
Chembo Pharma: KB-44442
Focus Synthesis BB: FS002068
Ryan Scientific BB: 048-10165
Tractus: TRA0159422...10 total

ref: mol2, SDF, SMILES, flexibase
1.21,6,-18.76,0,2,0, 163.22, 0
15043091
 
#62

ChemMol: 2100467
Chembo Pharma: KB-46134
Focus Synthesis BB: FS002070
PubChem: 10999148
SynQuest BB (Depleted: 71436...5 total

ref: mol2, SDF, SMILES, flexibase
4.26,7.83,-5.16,0,0,0, 241.153, 0

Similar to: 34607308,
15043106
 
#63

ChemMol: 2100469
Chembo Pharma: KB-44441
Focus Synthesis BB: FS002076
Ryan Scientific BB: 048-10222
Tractus: TRA0161279...7 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.92,-7.06,0,2,0, 172.231, 0
lo: mol2, SDF, SMILES, flexibase
2.44,6.18,-32.28,1,2,1, 173.239, 0

Similar to: 34449895,
15043125
 
#64

ChemMol: 2100477
Chembo Pharma: KB-46127
Focus Synthesis BB: FS002089
Molport BB: MolPort-000-150-532
Ryan Scientific BB: 048-10021...11 total

ref: mol2, SDF, SMILES, flexibase
3.56,6.36,-2.5,0,1,0, 227.101, 0
15043132
 
#65

ChemMol: 2100480
Chembo Pharma: KB-24615
Focus Synthesis BB: FS002091
Ryan Scientific BB: 048-10124
Tractus: TRA0166837...8 total

ref: mol2, SDF, SMILES, flexibase
4.10,6.47,-4.53,0,1,0, 290.125, 1
15043138
 
#66

ChemMol: 2100485
AK Scientific: 0034AD
Chembo Pharma: KB-39251
Focus Synthesis BB: FS004013
Molport BB: MolPort-000-150-544...9 total

ref: mol2, SDF, SMILES, flexibase
2.46,8.29,-12.64,0,3,0, 225.276, 1

Similar to: 39390365, 39390366, 5892529,
15043187
 
#67

ChemMol: 2100496
AK Scientific: 8330AB
Ark Pharm Building Blocks: AK113519
BePharm Building Blocks: B89798
Bosche Scientific: M19081...16 total

ref: mol2, SDF, SMILES, flexibase
2.37,6.38,-10.68,0,3,0, 257.083, 4

Similar to: 34383729,
15043193
 
#68

ChemMol: 2100497
Chembo Pharma: KB-33313
Focus Synthesis BB: FS005027
AKOS BB (make-on-demand): AKOS015969267
PubChem: 17750055...7 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.17,-8.76,0,4,0, 278.327, 5
15043196
 
#69

ChemMol: 2100498
Chembo Pharma: KB-44138
Focus Synthesis BB: FS005028
AKOS BB (make-on-demand): AKOS010522041
PubChem: 17750056...10 total

ref: mol2, SDF, SMILES, flexibase
3.82,7.58,-6.86,0,3,0, 236.359, 2
mid: mol2, SDF, SMILES, flexibase
4.65,5.3,-5.23,1,3,0, 236.359, 2

Similar to: 26516116, 26516636, 34937021, 36984755, 40928464, ... 5 in total.
15043198
 
#70

ChemMol: 2100499
Chembo Pharma: KB-44137
Focus Synthesis BB: FS005029
AKOS BB (make-on-demand): AKOS015969282
PubChem: 17750057...8 total

ref: mol2, SDF, SMILES, flexibase
4.19,8.52,-6.65,0,3,0, 238.375, 6

Similar to: 26516116, 26516636, 34937021, 36984755, 41655078, ... 5 in total.
15043202
 
#71

ChemMol: 2100499
Chembo Pharma: KB-44137
Focus Synthesis BB: FS005029
AKOS BB (make-on-demand): AKOS015969282
PubChem: 17750057...8 total

ref: mol2, SDF, SMILES, flexibase
4.19,8.52,-6.67,0,3,0, 238.375, 6

Similar to: 26516116, 26516636, 34937021, 36984755, 41655078, ... 5 in total.
967285
 
#72

ChemMol: 2100018, 2100687, 44033449, 30109891, 1036044
eMolecules: 4350986
Molport: MolPort-000-003-540
AK Scientific: 7566AB
Anward: ANW-60787...59 total

ref: mol2, SDF, SMILES, flexibase
0.37,3.24,-7.14,1,2,0, 96.133, 0
mid: mol2, SDF, SMILES, flexibase
0.37,3.7,-30.31,2,2,1, 97.141, 0
161340
 
#73

ChemMol: 2101552, 44018370
AK Scientific: 4873AB
American Custom Chemicals Corp.: CHM0290852
Ark Pharm Building Blocks: AK111321
BePharm Building Blocks: B78456...38 total

ref: mol2, SDF, SMILES, flexibase
0.91,1.65,-5.85,1,2,0, 137.182, 1
lo: mol2, SDF, SMILES, flexibase
0.91,1.85,-30.1,2,2,1, 138.19, 1

Similar to: 39050802, 39050877, 39051034, 39051507, 39346889, ... 6 in total.
1734290
 
#74

ChemMol: 2101554, 1036043
eMolecules: 828658
AK Scientific: Y5408
AKOS: AKOS000267868
Aldrich CPR: T323586|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
1.17,4.46,-7.2,1,2,0, 122.171, 0
mid: mol2, SDF, SMILES, flexibase
1.17,4.92,-30.63,2,2,1, 123.179, 0

Similar to: 34364512,
3164471
 
#75

ChemMol: 44018850, 2101558
eMolecules: 4350940
Aldrich CPR: CBR01634|ALDRICH
Alfa-Aesar: H33701
Apexmol Building Blocks: AM803761...29 total

ref: mol2, SDF, SMILES, flexibase
1.21,1.48,-9.01,0,4,0, 223.033, 0
8699981
 
#76

ChemMol: 2100107
Chembo Pharma: KB-87517
CiVentiChem: CV-1945
Focus Synthesis BB: FS000463
Ryan Scientific BB: 048-10091...9 total

ref: mol2, SDF, SMILES, flexibase
2.58,-1.42,-7.13,0,3,0, 259.099, 3

Similar to: 34559349,
8699980
 
#77

ChemMol: 2100110
Chembo Pharma: KB-87520
CiVentiChem: CV-1944
Focus Synthesis BB: FS000466
Ryan Scientific BB: 048-10088...8 total

ref: mol2, SDF, SMILES, flexibase
2.22,4.9,-6.38,0,3,0, 194.23, 3
167004
 
#78

ChemMol: 97800130, 30110701, 44013038, 1201627, 2100139, 98000440
Acros Organics: 17959
AK Scientific: X4009
Alfa-Aesar: A14143
Angene Building Blocks: AGN-PC-0JLAU9...68 total

ref: mol2, SDF, SMILES, flexibase
2.29,-1.99,-3.41,1,1,0, 201.063, 2

Similar to: 38418297, 44198857,
395544
 
#79

ChemMol: 2100140
Acros Organics: 35055
AK Scientific: X3243
AKOS: AKOS009156753
Angene Building Blocks: AGN-PC-0KK6CO...42 total

ref: mol2, SDF, SMILES, flexibase
2.25,-1.94,-4,1,1,0, 201.063, 2

Similar to: 2173136, 39120270,
5338776
 
#80

ChemMol: 30116767, 2100141, 97803996, 44013274
Acorn PharmaTech: ACN-C001007
AK Scientific: W6714
AKOS: AKOS015835950
Aldrich CPR: CDS005477|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
1.79,2.59,-9.23,0,3,0, 210.034, 0
lo: mol2, SDF, SMILES, flexibase
1.79,2.88,-30.73,1,3,1, 211.042, 0
13635304
 
#81

ChemMol: 97803970, 51502955, 2100142, 44018888
eMolecules: 4380201, 4426170
Molport: MolPort-002-541-916
Scientific Exchange: Z-026125
AK Scientific: W5109...84 total

ref: mol2, SDF, SMILES, flexibase
1.49,3.95,-11.24,1,3,0, 198.023, 0
hi: mol2, SDF, SMILES, flexibase
1.49,3.47,-34.33,0,3,-1, 197.015, 0
15979080
 
#82

ChemMol: 42301042, 30116477, 44018919, 2100143
eMolecules: 45489095
Molport: MolPort-002-540-046
ACT Chemical BB: ACT10822
AK Scientific: V5918...57 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.8,-10.53,1,3,0, 212.05, 0
hi: mol2, SDF, SMILES, flexibase
1.57,3.37,-36.28,0,3,-1, 211.042, 0

Similar to: 43460926, 43460939, 43460943,
2031401
 
#83

ChemMol: 2100146, 44018181
AK Scientific: 0717AC
Anward: ANW-72960
Ark Pharm Building Blocks: AK109248
BePharm Building Blocks: B88252...29 total

ref: mol2, SDF, SMILES, flexibase
1.29,2.59,-4.81,0,1,0, 99.158, 0
4003201
 
#84

ChemMol: 44020211, 30116473, 2100150, 44034275
eMolecules: 534770
Molport: MolPort-001-766-164
AK Scientific: 8735AA
AKOS: AKOS009144606...126 total

ref: mol2, SDF, SMILES, flexibase
0.53,3.33,-15.29,1,3,0, 119.127, 0
lo: mol2, SDF, SMILES, flexibase
0.53,3.66,-33.06,2,3,1, 120.135, 0
3884295
 
#85

ChemMol: 97805361, 44000895, 2100156
eMolecules: 725220
A&J Pharmtech: AJ-01978
Acorn PharmaTech: ACN-S004643
Adesis: 6-137...94 total

ref: mol2, SDF, SMILES, flexibase
2.06,0.44,-6.24,0,2,0, 197.035, 0
mid: mol2, SDF, SMILES, flexibase
2.06,0.69,-29.29,1,2,1, 198.043, 0
2518370
 
#86

ChemMol: 2100180
Chembo Pharma: KB-38600
Focus Synthesis BB: FS010869
Ryan Scientific BB: 048-10175
Tetrahedron Building Blocks: TS45926...12 total

ref: mol2, SDF, SMILES, flexibase
1.70,3.4,-9.77,1,3,0, 175.187, 1

Similar to: 34572141, 34611904, 38266421, 39333707, 39334349, ... 6 in total.
2518371
 
#87

ChemMol: 2100181
Chembo Pharma: KB-45374
Focus Synthesis BB: FS010870
Ryan Scientific BB: 048-10030
Tetrahedron Building Blocks: TS45927...13 total

ref: mol2, SDF, SMILES, flexibase
1.72,3.42,-8.5,1,3,0, 175.187, 1

Similar to: 5159022, 1531432,
56672
 
#88

ChemMol: 1034388, 30103619, 2100185, 98000665, 97806497, 44003405, 1202442
eMolecules: 495747
Scientific Exchange Building Blocks: F-430719
Acorn PharmaTech: ACN-S002079
AKOS: AKOS000120787...70 total

ref: mol2, SDF, SMILES, flexibase
2.65,0.51,-4.56,2,1,0, 240.022, 1
13534205
 
#89

ChemMol: 2100187, 30115646
AK Scientific: 9073AB
AKOS: AKOS000142578
Anward: ANW-58402
APIChem: AC-23026...25 total

ref: mol2, SDF, SMILES, flexibase
1.47,1.76,-9.85,1,4,0, 211.604, 1

Similar to: 34327806,
4134439
 
#90

ChemMol: 44022925, 2100188
eMolecules: 31761194, 711269
Scientific Exchange (make on demand): POD_04/0337
Acros Organics: 10029
AK Scientific: 7318AB...75 total

ref: mol2, SDF, SMILES, flexibase
1.89,4.79,-10.05,1,3,0, 174.203, 1

Similar to: 39270836, 39270837, 39270838,
168940
 
#91

ChemMol: 96701723, 30100556, 44000834, 2100192, 2000024
AK Scientific: V4658, K956
Alinda Building Blocks: ALBB-021290
Angene Building Blocks: AGN-PC-0R0JX4
Apexmol Building Blocks: AM20080298...74 total

ref: mol2, SDF, SMILES, flexibase
0.15,-1.08,-9.41,4,5,0, 182.227, 3
5641589
 
#92

eMolecules: 526347
Molport: MolPort-001-030-129, MolPort-019-922-340
Scientific Exchange (make on demand): POD_63/0618, X-061859, POD_05/0566
ACB Blocks: ATI-0035
Acorn PharmaTech: ACN-S001983...72 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.89,-28.39,3,2,1, 177.252, 1
mid: mol2, SDF, SMILES, flexibase
2.15,4.54,-6.78,2,2,0, 176.244, 1
hi: mol2, SDF, SMILES, flexibase
2.15,4.6,-37.17,1,2,-1, 175.236, 1

Similar to: 24007,
4901043
 
#93

ChemMol: 2100209
Chembo Pharma: KB-49179
FineTech: FT-0624161
Focus Synthesis BB: FS011357
Tetrahedron Building Blocks: TS10745...16 total

ref: mol2, SDF, SMILES, flexibase
3.61,-1.18,-1.85,1,1,0, 156.269, 0

Similar to: 5124756,
2146872
 
#94

ChemMol: 2100210
AK Scientific: W5570
Aldrich CPR: R267635|ALDRICH
Alfa-Aesar: L13431
Angene Building Blocks: AGN-PC-0JLLY6...35 total

ref: mol2, SDF, SMILES, flexibase
1.25,5.45,-13.88,0,3,0, 164.16, 3

Similar to: 5757076, 31975997, 31976032, 31976039, 34924805, ... 5 in total.
1799
 
#95

CCP W191G binders: MFCD00006407
ChemMol: 1202882, 2100211, 44004227, 30104752
eMolecules: 521080
Scientific Exchange (make on demand): F-393638
TCM Database @ Taiwan: 45035...119 total

ref: mol2, SDF, SMILES, flexibase
0.04,0.03,-6.16,1,2,0, 109.128, 1
lo: mol2, SDF, SMILES, flexibase
0.04,0.5,-31.55,2,2,1, 110.136, 1
165405
 
#96

ChemMol: 44002823, 1031635, 2100212
eMolecules: 524407
Acros Organics: 26316
AK Scientific: S607
Alfa-Aesar: L13115...65 total

ref: mol2, SDF, SMILES, flexibase
1.28,3.82,-5.41,0,1,0, 109.153, 0
156869
 
#97

ChemMol: 2100213
eMolecules: 491768
Scientific Exchange (make on demand): X-099061
Acros Organics: 35185
AKOS: AKOS000120892...56 total

ref: mol2, SDF, SMILES, flexibase
1.02,4.21,-8.51,0,2,0, 149.621, 3
158797
 
#98

ChemMol: 83601546, 2100215
AK Scientific: Y8922
AKOS: AKOS001612916
Anward: ANW-28731
Ark Pharm Building Blocks: AK113256...42 total

ref: mol2, SDF, SMILES, flexibase
3.33,0.16,-6.12,0,1,0, 194.28, 2

Similar to: 5747404, 34374495, 39342843,
3861008
 
#99

ChemMol: 30100197, 1201375, 1032493, 83600898
eMolecules: 480323
Acorn PharmaTech: ACN-S002251
Acros Organics: 15634
Alfa-Aesar: B23579...101 total

ref: mol2, SDF, SMILES, flexibase
0.31,0.81,-5.37,1,2,0, 123.155, 2
lo: mol2, SDF, SMILES, flexibase
0.31,1.09,-30.62,2,2,1, 124.163, 2

Similar to: 34549831, 34549832,
4241219
 
#100

ChemMol: 2100217, 1037614
Acros Organics: SPB04811
AK Scientific: 7322AA, 4504AD
Capot Chemical: 8717
Combi-Blocks: OR-3969...30 total

ref: mol2, SDF, SMILES, flexibase
2.59,1.62,-6.51,0,3,0, 266.094, 3

Similar to: 6582567,

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 = 250 ) limit 0,100

Smiles were