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5018284
 
#1

BOC Sciences BB: 116808-67-4
Indofine: 27-123
Molport BB: MolPort-003-935-900
Sigma Aldrich (Building Blocks): 526967|ALDRICH
Tetrahedron Building Blocks: TS82218...69 total

ref: mol2, SDF, SMILES, flexibase
3.00,2.47,-6.44,0,1,0, 293.411, 4
2384710
 
#2

Aldrich CPR: PH011484|ALDRICH
Chembo Pharma: KB-163525
FineTech: FT-0608874
Innovapharm BB Make on Demand: BBV-00049788
ChemDB: 6688002...8 total

ref: mol2, SDF, SMILES, flexibase
3.51,2.73,-7.45,0,4,0, 219.24, 6

Similar to: 5820318,
2013511
 
#3

Element Store BB: b2star-25366-23-8
Tetrahedron Building Blocks: TS26478
ChemDB: 6687389
KEGG via PubChem: C19093
KEGG-C via PubChem: C19093...12 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.52,-18.29,1,5,0, 240.21, 2
1415830
 
#4

Chembo Pharma: KB-100247
Mcule: MCULE-7612345472
Toslab: 824383
Toslab Building Blocks: TOS-BB-1029
ChemDB: 6120333...6 total

ref: mol2, SDF, SMILES, flexibase
2.55,0.2,-16.71,2,7,0, 330.369, 5
3768066
 
#5

Mcule: MCULE-7033292591
Toslab: 823394
ChemDB: 6119720
PubChem: 2718899
AKOS (make-on-demand): AKOS005224972...5 total

ref: mol2, SDF, SMILES, flexibase
2.86,-1.72,-14.07,2,8,0, 376.438, 8
25182109
 
#6

Mcule: MCULE-7472341581
Toslab: 863989
ChemDB: 6119107
PubChem: 6819651, 6032998
AKOS (make-on-demand): AKOS005226668...6 total

ref: mol2, SDF, SMILES, flexibase
5.72,14.86,-13.31,3,7,0, 520.633, 9
622426
 
#7

eMolecules: 541500
AKOS: AKOS002232763
Aldrich CPR: L112569|ALDRICH
Innovapharm: STT-00135439
Mcule: MCULE-6475358538...16 total

ref: mol2, SDF, SMILES, flexibase
3.12,1.31,-11.6,0,7,0, 360.801, 4

Similar to: 6637332, 8719675, 25111336,
6253625
 
#8

eMolecules: 5406982
Molport: MolPort-004-936-952
AKOS: AKOS002390654
Princeton BioMolecular Research: OSSK_895134
Innovapharm Make-on-Demand: VT-00440685...8 total

ref: mol2, SDF, SMILES, flexibase
4.61,1.32,-8.97,1,4,0, 354.475, 5

Similar to: 695528, 695529, 5916637, 5916920, 2741810, ... 7 in total.
6250356
 
#9

eMolecules: 5406982
Molport: MolPort-004-936-952
AKOS: AKOS002390654
Princeton BioMolecular Research: OSSK_895134
Innovapharm Make-on-Demand: VT-00440685...8 total

ref: mol2, SDF, SMILES, flexibase
4.61,1.32,-8.98,1,4,0, 354.475, 5

Similar to: 6253625, 695528, 695529, 5916637, 5916920, ... 7 in total.
6122942
 
#10

eMolecules: 5395422
AKOS: AKOS000779427
Alinda: IVK/0028611
Alinda Building Blocks: ALBB-002444
Asinex: ASN17207495...23 total

ref: mol2, SDF, SMILES, flexibase
1.32,-3.26,-12.84,3,4,0, 260.746, 4
6226259
 
#11

ChemDB: 6285270
PubChem: 4192621
ref: mol2, SDF, SMILES, flexibase
7.64,13.14,-14.78,0,4,0, 408.91, 4
13063137
 
#12

ChemDB: 6284657
Life Chemicals (Depleted): F1381-1411
PubChem: 4192620
ref: mol2, SDF, SMILES, flexibase
5.81,9.8,-11.47,0,5,0, 395.267, 3

Similar to: 13067142,
12032947
 
#13

ChemDB: 6283431
PubChem: 42365385, 4192618
ref: mol2, SDF, SMILES, flexibase
6.10,-0.51,-11.44,0,3,0, 363.269, 2

Similar to: 9009666,
6159402
 
#14

ChemDB: 6282818
Life Chemicals (Depleted): F1374-0600
PubChem: 4192617
ref: mol2, SDF, SMILES, flexibase
4.57,-0.6,-17.49,1,7,0, 381.432, 6

Similar to: 6472690,
9511393
 
#15

ChemDB: 6282205
Life Chemicals (Depleted): F1366-5075
PubChem: 4192616
ref: mol2, SDF, SMILES, flexibase
5.78,-1.64,-14.08,0,6,0, 509.559, 4

Similar to: 9511392,
6351784
 
#16

ChemDB: 6281592
Life Chemicals (Depleted): F1366-4462
PubChem: 4192615
ref: mol2, SDF, SMILES, flexibase
4.96,9.42,-11.87,0,5,0, 387.48, 6

Similar to: 9078984, 4252529,
13628777
 
#17

ChemDB: 6280979
PubChem: 4192614
ref: mol2, SDF, SMILES, flexibase
6.06,10.6,-6.27,0,3,0, 397.233, 2
9078404
 
#18

ChemDB: 6280366
Life Chemicals (Depleted): F1366-3236
PubChem: 4192613, 40927826
ref: mol2, SDF, SMILES, flexibase
5.74,1.14,-19.44,0,6,0, 430.913, 7
9078142
 
#19

ChemDB: 6279753
Life Chemicals (Depleted): F1366-2623
PubChem: 4192612
ref: mol2, SDF, SMILES, flexibase
5.51,-1.99,-17.92,0,8,0, 507.609, 10

Similar to: 9078143, 9078096, 9078098, 9078104, 9078124, ... 5 in total.
16890516
 
#20

eMolecules: 26454160
Molport: MolPort-003-064-757
AKOS: AKOS002046937
Life Chemicals: F1366-1397
Mcule: MCULE-9921947160...8 total

ref: mol2, SDF, SMILES, flexibase
2.95,7.4,-20.75,1,9,0, 441.465, 5
9077335
 
#21

ChemDB: 6277914
Life Chemicals (Depleted): F1366-0784
PubChem: 4192609
ref: mol2, SDF, SMILES, flexibase
5.12,0.3,-15.16,0,5,0, 419.3, 5

Similar to: 10096594, 10698300, 10813216, 34697288, 39716260, ... 7 in total.
9335334
 
#22

eMolecules: 2998457
Molport: MolPort-005-895-376
Enamine: Z56839677
Mcule: MCULE-1035523579
ChemDB: 6577492...8 total

ref: mol2, SDF, SMILES, flexibase
3.75,2.2,-17.1,1,6,0, 447.848, 5
mid: mol2, SDF, SMILES, flexibase
3.75,2.38,-46.51,2,6,1, 448.856, 5
3239305
 
#23

eMolecules: 2998455
Molport: MolPort-004-004-396
Enamine: Z56839676
Mcule: MCULE-7743750485
ChEMBL12: CHEMBL1367180...11 total

ref: mol2, SDF, SMILES, flexibase
0.81,5.13,-22.07,1,6,0, 301.327, 3
hi: mol2, SDF, SMILES, flexibase
0.99,3.64,-45.48,0,6,-1, 300.319, 3
17000322
 
#24

Aldrich CPR: S786179|ALDRICH
TimTec: ST51257044
ChemDB: 6671723
PubChem: 297815
ref: mol2, SDF, SMILES, flexibase
3.85,7.68,-11.56,3,9,0, 469.538, 14

Similar to: 38244945, 39297952, 39297953, 39297954, 39297955, ... 6 in total.
5062873
 
#25

Aldrich CPR: S786179|ALDRICH
NCI Plated 2007: 169112
TimTec: ST51257044
ChemDB: 6671723
PubChem: 297815...5 total

ref: mol2, SDF, SMILES, flexibase
3.85,-2.73,-11.82,3,9,0, 469.538, 14

Similar to: 17000322, 38244945, 39297952, 39297953, 39297954, ... 6 in total.
397955
 
#26

AKOS: AKOS003108389
Aldrich CPR: S708119|ALDRICH
TimTec: ST50552116
Innovapharm Make-on-Demand: VT-00490506
ChemDB: 6668658...7 total

ref: mol2, SDF, SMILES, flexibase
4.28,1.39,-9.8,1,2,0, 259.736, 2
640839
 
#27

Aldrich CPR: S689904|ALDRICH
TimTec: ST51255988
ChemDB: 6668045
PubChem: 4192603
ref: mol2, SDF, SMILES, flexibase
5.01,0.83,-9.41,1,4,0, 364.239, 4

Similar to: 640876, 641367,
397471
 
#28

Aldrich CPR: S671002|ALDRICH
NCI Diversity 3: 331977
NCI Plated 2007: 331977
TimTec: ST50445172
ChemDB: 6667432...7 total

ref: mol2, SDF, SMILES, flexibase
2.83,2.3,-8.99,0,4,0, 254.289, 2
640720
 
#29

Aldrich CPR: S660280|ALDRICH
NCI Plated 2007: 319993
TimTec: ST51255700
ChemDB: 6666819
PubChem: 330742...5 total

ref: mol2, SDF, SMILES, flexibase
1.55,-6.17,-16.2,4,8,0, 390.447, 6

Similar to: 48738146,
396438
 
#30

Aldrich CPR: S631973|ALDRICH
TimTec: ST50549865
ChemDB: 6665593
PubChem: 4192601
ref: mol2, SDF, SMILES, flexibase
2.34,0.41,-8.46,1,4,0, 228.251, 3
lo: mol2, SDF, SMILES, flexibase
2.34,0.52,-36.3,2,4,1, 229.259, 3
576581
 
#31

Scientific Exchange (make on demand): X-000196
AKOS: AKOS002221763
Aldrich CPR: S615862|ALDRICH
Innovapharm: STT-00140236
TimTec: ST50117433...7 total

ref: mol2, SDF, SMILES, flexibase
3.57,1.89,-7.86,0,3,0, 255.317, 4

Similar to: 2165263, 34622642,
391323
 
#32

Aldrich CPR: S863645|ALDRICH, S60241|ALDRICH
MicroCombiChem BB: MCC3020
TimTec: ST50444848
ChemDB: 6664367
IBM Patent Data: 136232406...8 total

ref: mol2, SDF, SMILES, flexibase
3.55,8.62,-5.21,0,2,0, 240.302, 0
ref: mol2, SDF, SMILES, flexibase
3.55,8.63,-5.23,0,2,0, 240.302, 0
ref: mol2, SDF, SMILES, flexibase
3.55,8.42,-6.11,0,2,0, 240.302, 0

Similar to: 4245696, 34219038, 34219151, 34224295, 34334799, ... 18 in total.
395033
 
#33

Aldrich CPR: S584061|ALDRICH
TimTec: ST50444756
AKOS BB (make-on-demand): AKOS000235210
ChemDB: 6663754
PubChem: 592111...7 total

ref: mol2, SDF, SMILES, flexibase
3.49,-0.04,-6.69,1,3,0, 277.751, 5

Similar to: 21794754, 21801353, 21812372, 21812373, 34442299, ... 8 in total.
2910991
 
#34

eMolecules: 16407192
Molport: MolPort-007-946-037
AKOS: AKOS002123722
ChemDiv: K821-0301
Mcule: MCULE-1008873161...9 total

ref: mol2, SDF, SMILES, flexibase
5.08,12.38,-23.15,1,5,0, 441.915, 4
2910989
 
#35

eMolecules: 16407188
Molport: MolPort-007-946-035
AKOS: AKOS002124787
ChemDiv: K821-0297
Mcule: MCULE-6868328172...9 total

ref: mol2, SDF, SMILES, flexibase
5.22,12.46,-21.04,1,5,0, 486.366, 4
2910988
 
#36

eMolecules: 16407186
Molport: MolPort-007-946-034
AKOS: AKOS002124690
ChemDiv: K821-0295
Mcule: MCULE-6500219499...9 total

ref: mol2, SDF, SMILES, flexibase
4.66,0.21,-20.83,1,5,0, 427.888, 4
2910986
 
#37

eMolecules: 16407184
Molport: MolPort-007-946-033
AKOS: AKOS002124689
ChemDiv: K821-0292
Mcule: MCULE-5322863187...9 total

ref: mol2, SDF, SMILES, flexibase
4.90,12.04,-26.62,1,5,0, 461.44, 5
2713036
 
#38

Mcule: MCULE-5828479182
ChemDB: 6215067
PubChem: 3114722, 6032980
Mcule Make-on-demand: MCULE-5828479182
ref: mol2, SDF, SMILES, flexibase
6.88,-0.11,-13.46,1,5,0, 485.996, 4

Similar to: 3211184, 3211188, 6237798, 8858225, ... 4 in total.
8858225
 
#39

eMolecules: 1257754
AKOS: AKOS000532562
Asinex: BAS00664749
ChemDiv: 1900-2923
Innovapharm: STT-00068547...14 total

ref: mol2, SDF, SMILES, flexibase
6.88,-0.39,-14.57,1,5,0, 485.996, 4

Similar to: 32665869, 3211184, 3211188, 6237798, 2713036, ... 8 in total.
2713040
 
#40

Mcule: MCULE-5828479182
ChemDB: 6215067
PubChem: 3114722, 6032980
Mcule Make-on-demand: MCULE-5828479182
ref: mol2, SDF, SMILES, flexibase
6.88,-0.46,-14.42,1,5,0, 485.996, 4

Similar to: 3211184, 3211188, 6237798, 8858225, ... 4 in total.
6237798
 
#41

eMolecules: 1257754
AKOS: AKOS000532562
Asinex: BAS00664749
ChemDiv: 1900-2923
Innovapharm: STT-00068547...14 total

ref: mol2, SDF, SMILES, flexibase
6.88,-0.57,-14.51,1,5,0, 485.996, 4

Similar to: 8858225, 32665869, 3211184, 3211188, 6172279, ... 8 in total.
4275807
 
#42

ChemDB: 6214454
PubChem: 4192595
ref: mol2, SDF, SMILES, flexibase
0.99,-1.47,-12.08,2,5,0, 250.279, 3

Similar to: 4281548, 4281666, 31946669,
18008360
 
#43

eMolecules: 26502530
Molport: MolPort-019-766-357
AKOS: AKOS001676320
ChemDiv: 5591-2614
Mcule: MCULE-9175190898...12 total

ref: mol2, SDF, SMILES, flexibase
5.93,7.95,-15.32,2,6,0, 446.528, 4
ref: mol2, SDF, SMILES, flexibase
5.93,8.03,-15.25,2,6,0, 446.528, 4
16267850
 
#44

Scientific Exchange (make on demand): Z-065428
TimTec: ST50982032
ChemDB: 6761418, 5594952
PubChem: 3976666, 9642221
ref: mol2, SDF, SMILES, flexibase
4.66,8.64,-25.99,1,8,0, 473.316, 8
lo: mol2, SDF, SMILES, flexibase
4.66,9.33,-61.92,2,8,1, 474.324, 8
27497284
 
#45

eMolecules: 6145853
Molport: MolPort-003-705-992
Scientific Exchange (make on demand): R-076762
AKOS: AKOS001598259
ChemDiv: 1694-0075...12 total

ref: mol2, SDF, SMILES, flexibase
5.11,10.18,-22.14,1,8,0, 513.381, 10

Similar to: 33768453,
16267845
 
#46

Scientific Exchange (make on demand): Z-065438
TimTec: ST50982031
ChemDB: 5594796, 6761414
PubChem: 9653762, 4225142
ref: mol2, SDF, SMILES, flexibase
5.13,10.19,-21.17,1,8,0, 513.381, 10
lo: mol2, SDF, SMILES, flexibase
5.13,10.89,-57.5,2,8,1, 514.389, 10
4780603
 
#47

ChemDB: 6041849
PubChem: 4192590
ref: mol2, SDF, SMILES, flexibase
4.02,2.45,-13.62,0,5,0, 346.471, 7
35402481
 
#48

ChemDB: 6029591
PubChem: 4192588
ref: mol2, SDF, SMILES, flexibase
4.99,9.06,-16.73,1,7,0, 434.54, 8

Similar to: 35806497, 35806499, 35806522, 35806721, 35806722, ... 7 in total.
13381973
 
#49

Molport: MolPort-001-963-083
AKOS: AKOS000570198
Asinex: BAS01370789
Oakwood Chemical: 056410
TimTec: ST50252191...10 total

ref: mol2, SDF, SMILES, flexibase
7.06,13.53,-12.29,1,3,0, 421.327, 3

Similar to: 31919842,
4795804
 
#50

Aldrich CPR: S737895|ALDRICH
TimTec: ST50445581
ChemDB: 6669764
PubChem: 4192583
ref: mol2, SDF, SMILES, flexibase
4.24,-0.45,-6.9,1,3,0, 379.435, 2
4794886
 
#51

Aldrich CPR: S718386|ALDRICH
TimTec: ST51256317
ChemDB: 6669151
PubChem: 4192582
ref: mol2, SDF, SMILES, flexibase
7.18,0.24,-5.84,2,2,0, 360.492, 13

Similar to: 20358977,
397667
 
#52

Aldrich CPR: S686921|ALDRICH
TimTec: ST50551633
ChemDB: 6667925
PubChem: 4192581
ref: mol2, SDF, SMILES, flexibase
4.34,0.64,-8.42,1,3,0, 287.384, 5
9722555
 
#53

eMolecules: 5490717
Molport: MolPort-003-062-901
Life Chemicals: F1358-0106
Mcule: MCULE-3195246012
ChemDB: 6214385...8 total

ref: mol2, SDF, SMILES, flexibase
3.08,-2.25,-13.92,1,7,0, 444.534, 8
13139102
 
#54

eMolecules: 26501942
Molport: MolPort-019-766-320
ChemDiv: 5591-2302
Mcule: MCULE-7883671325
Princeton BioMolecular Research: OSSK_098471...17 total

ref: mol2, SDF, SMILES, flexibase
5.60,8.17,-15.75,1,5,0, 408.504, 4

Similar to: 12511058, 3244643,
3647608
 
#55

eMolecules: 5485108
Molport: MolPort-002-359-736
AKOS: AKOS001686697
ChemDiv: 6565-0061
Mcule: MCULE-4159301039...12 total

ref: mol2, SDF, SMILES, flexibase
6.22,-1.68,-8.64,2,3,0, 410.951, 4
lo: mol2, SDF, SMILES, flexibase
6.22,-1.63,-32.96,3,3,1, 411.959, 4
9445769
 
#56

eMolecules: 5483412
Molport: MolPort-003-059-893
Life Chemicals: F1122-0832
Mcule: MCULE-8295611175
ChemDB: 6212546...8 total

ref: mol2, SDF, SMILES, flexibase
5.61,11.16,-15.61,2,7,0, 488.613, 6

Similar to: 8683951, 8683952,
244495
 
#57

eMolecules: 1206509
Molport: MolPort-001-928-112
Scientific Exchange: Z-047455
AKOS: AKOS000631227
Asinex: BAS00380535...25 total

ref: mol2, SDF, SMILES, flexibase
2.69,7.53,-16.53,1,5,0, 294.31, 3
244493
 
#58

eMolecules: 1206509
Molport: MolPort-001-928-112
Scientific Exchange: Z-047455
AKOS: AKOS000631227
Asinex: BAS00380535...25 total

ref: mol2, SDF, SMILES, flexibase
2.69,7.49,-16.48,1,5,0, 294.31, 3

Similar to: 34403834, 34403835, 34425347, 34425349, ... 4 in total.
218765
 
#59

ChemDB: 6210707
PubChem: 4192570
SMDC CDiv Diverse: 195496
AKOS (make-on-demand): AKOS002128219
ref: mol2, SDF, SMILES, flexibase
4.61,0.31,-12.96,1,3,0, 324.468, 7
6302679
 
#60

ChemDB: 6913591
PubChem: 4192569
AKOS (make-on-demand): AKOS004115420
ref: mol2, SDF, SMILES, flexibase
3.72,3.54,-7.87,0,4,0, 260.289, 5

Similar to: 2506000, 2738002, 2505982, 2521391, 2521388, ... 9 in total.
6302602
 
#61

ChemDB: 6913590
PubChem: 4192568
AKOS (make-on-demand): AKOS004115419
ref: mol2, SDF, SMILES, flexibase
3.72,3.31,-8.35,0,4,0, 260.289, 5

Similar to: 373473,
5497503
 
#62

ChemDB: 6913583
PubChem: 4192562
AKOS (make-on-demand): AKOS004115335
ref: mol2, SDF, SMILES, flexibase
2.96,2.72,-10.48,0,6,0, 292.287, 7
2534320
 
#63

eMolecules: 815915
AKOS: AKOS000305814
Fluorochem: 027200
Mcule: MCULE-6727359415
Molport BB: MolPort-000-162-155...17 total

ref: mol2, SDF, SMILES, flexibase
2.97,2.68,-9.54,0,5,0, 262.261, 6
6259291
 
#64

UORSY Make-on-demand: PB25711186
ChemDB: 6913581
PubChem: 4192560
AKOS (make-on-demand): AKOS004115319
ref: mol2, SDF, SMILES, flexibase
2.54,3.37,-11.87,0,6,0, 292.287, 7

Similar to: 133383, 2570273, 2554059, 465661, 2537050, ... 6 in total.
6228899
 
#65

UORSY Make-on-demand: PB25691374
ChemDB: 6913579
PubChem: 4192558
AKOS (make-on-demand): AKOS004115303
ref: mol2, SDF, SMILES, flexibase
4.20,2.4,-9.48,0,4,0, 301.125, 5
6228898
 
#66

ChemDB: 6913578
PubChem: 4192557
AKOS (make-on-demand): AKOS004115302
ref: mol2, SDF, SMILES, flexibase
4.18,2.59,-8.53,0,4,0, 301.125, 5

Similar to: 38622337,
6228901
 
#67

ChemDB: 6913577
PubChem: 4192556
AKOS (make-on-demand): AKOS004115279
ref: mol2, SDF, SMILES, flexibase
4.33,1.85,-9.57,0,4,0, 345.576, 5
6228904
 
#68

UORSY Make-on-demand: PB26127238
ChemDB: 6913576
PubChem: 4192555
AKOS (make-on-demand): AKOS004115259
ref: mol2, SDF, SMILES, flexibase
3.82,2.66,-10.49,0,4,0, 329.121, 5
6228902
 
#69

UORSY Make-on-demand: PB26113522
ChemDB: 6913575
PubChem: 4192554
AKOS (make-on-demand): AKOS004115258
ref: mol2, SDF, SMILES, flexibase
3.82,2.73,-10.06,0,4,0, 329.121, 5
2754841
 
#70

American Custom Chemicals Corp.: CHM0263238
Mcule: MCULE-3210327298
ChemDB: 6326272
PubChem: 4192552, 6032978
Mcule Make-on-demand: MCULE-3210327298...6 total

ref: mol2, SDF, SMILES, flexibase
5.64,13.47,-16.63,1,5,0, 442.522, 5
2754840
 
#71

eMolecules: 46442989
Molport: MolPort-001-509-902
AKOS: AKOS003271602
Alinda: IVK/9086039
American Custom Chemicals Corp.: CHM0263238...14 total

ref: mol2, SDF, SMILES, flexibase
5.64,14.09,-15.76,1,5,0, 442.522, 5
879545
 
#72

eMolecules: 667407
AKOS: AKOS000577397
Aldrich CPR: R715808|ALDRICH
Asinex: BAS02052630
BioBlocks: A2322/0097949...14 total

ref: mol2, SDF, SMILES, flexibase
3.63,1.69,-13.77,1,6,0, 375.446, 8

Similar to: 1284759, 3542705, 30958037, 31673378, 31674879, ... 14 in total.
6222716
 
#73

eMolecules: 27343975
Molport: MolPort-001-679-759
AKOS: AKOS005373446
Mcule: MCULE-3118725320
Princeton BioMolecular Research: OSSL_690780...12 total

ref: mol2, SDF, SMILES, flexibase
3.69,1.62,-23.15,2,5,0, 378.403, 7
3032749
 
#74

eMolecules: 11071580
Molport: MolPort-007-928-248
ChemDiv: K784-1738
Mcule: MCULE-9625575349
AKOS BB (make-on-demand): AKOS001585479...12 total

ref: mol2, SDF, SMILES, flexibase
2.40,-6.2,-14.79,2,6,0, 413.293, 7

Similar to: 20677808, 20677812,
3032747
 
#75

eMolecules: 11071580
Molport: MolPort-007-928-248
ChemDiv: K784-1738
Mcule: MCULE-9625575349
AKOS BB (make-on-demand): AKOS001585479...12 total

ref: mol2, SDF, SMILES, flexibase
2.40,-6.34,-12.44,2,6,0, 413.293, 7

Similar to: 20677808, 20677812,
6345064
 
#76

eMolecules: 27044683
Molport: MolPort-007-612-550
AKOS: AKOS001814905
ChemDiv: C285-0024
Mcule: MCULE-4359201765...10 total

ref: mol2, SDF, SMILES, flexibase
3.12,6.52,-12.98,2,3,0, 254.264, 2

Similar to: 34030031, 38442166,
8998028
 
#77

ChemDB: 6272483
Life Chemicals (Depleted): F1359-2320
PubChem: 4192545
ref: mol2, SDF, SMILES, flexibase
5.20,0.88,-20.17,0,6,0, 428.897, 5

Similar to: 6414053,
9723130
 
#78

eMolecules: 26451298
Molport: MolPort-003-063-331
Life Chemicals: F1359-1094
Mcule: MCULE-1305770054
ChemDB: 6271257...8 total

ref: mol2, SDF, SMILES, flexibase
2.86,4.87,-20.05,0,8,0, 450.538, 7

Similar to: 8998449,
389868
 
#79

Apexmol Building Blocks: AM84916
Sigma Aldrich (Building Blocks): 55405|ALDRICH
ChemDB: 6685550
PubChem: 118940
SureChEMBL: SCHEMBL362903...6 total

ref: mol2, SDF, SMILES, flexibase
1.54,0.61,-4.36,1,3,0, 160.213, 3
896318
 
#80

Molport BB: MolPort-006-147-992
Sigma Aldrich (Building Blocks): MET699B|SUPELCO
AKOS BB (make-on-demand): AKOS015914124
ChEBI: CHEBI:27454
ChemDB: 6684937...12 total

ref: mol2, SDF, SMILES, flexibase
5.38,1.98,-2.87,0,0,0, 283.585, 2
1712881
 
#81

ChemMol: 30104842
Scientific Exchange (make on demand): M-697150
AKOS: AKOS002845657
Alfa-Aesar: A12956
Angene Building Blocks: AGN-PC-0D2SYK...55 total

ref: mol2, SDF, SMILES, flexibase
-0.61,1.64,-9.16,0,3,0, 113.116, 0

Similar to: 34826793, 39343633,
388757
 
#82

ChemMol: 1202822, 98000179, 80100389, 44007032, 2200378
eMolecules: 492118
Molport: MolPort-000-871-994
Scientific Exchange (make on demand): K-084698
TCM Database @ Taiwan: 29632...91 total

ref: mol2, SDF, SMILES, flexibase
1.61,2.3,-7.79,1,3,0, 152.149, 2

Similar to: 2600067,
896724
 
#83

eMolecules: 486712
L99A non-binders: 2-METHYLBENZYL-ALCOH
Molport: MolPort-019-381-531
Acorn PharmaTech: ACN-S003529
AK Scientific: Y6548...88 total

ref: mol2, SDF, SMILES, flexibase
1.68,2.57,-4.41,1,1,0, 122.167, 1
4267460
 
#84

ChemMol: 97806247, 97806353, 97806373, 97806384, 44033774, 97806248, 97806356, 97806379, 97806389, 97806231, 97806254, 97806358, 97806380
Molport: MolPort-020-006-288, MolPort-020-006-346, MolPort-020-006-333, MolPort-020-006-344
Acros Organics: 38103, 38760
AK Scientific: 9058AA
Alfa-Aesar: H27116...583 total

ref: mol2, SDF, SMILES, flexibase
5.95,-4.11,-7.46,1,5,0, 281.155, 4

Similar to: 38221595,
1707955
 
#85

Acros Organics: 15466
Alfa-Aesar: B24764
Angene Building Blocks: AGN-PC-0JK7VN
Anward: ANW-39543
Apexmol Building Blocks: AM20041357...44 total

ref: mol2, SDF, SMILES, flexibase
4.09,9.13,-3.59,0,0,0, 202.684, 2
5952712
 
#86

Labotest: LT00101424
Mcule: MCULE-3540823236
ChemDB: 6497095
PubChem: 4192541
Ambinter: Amb4062435...6 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.98,-13.64,0,7,0, 273.314, 8
16194912
 
#87

TimTec: ST50987612
ChemDB: 6496482
PubChem: 4192540
Ambinter: Amb9797777
ref: mol2, SDF, SMILES, flexibase
6.47,13.18,-12.41,0,5,0, 452.535, 7
lo: mol2, SDF, SMILES, flexibase
6.47,13.05,-26.08,1,5,1, 453.543, 7
303352
 
#88

Molport: MolPort-001-972-368
AKOS: AKOS000647844
Asinex: BAS02056371
Labotest: LT00089435
TimTec: ST50011844...9 total

ref: mol2, SDF, SMILES, flexibase
5.06,0.29,-7.41,1,3,0, 278.355, 3
3131529
 
#89

TimTec: ST50983128
ChemDB: 6493417
PubChem: 6380435, 4192535
ref: mol2, SDF, SMILES, flexibase
2.05,-2.12,-6.67,2,4,0, 252.339, 4
6281435
 
#90

TimTec: ST50982378
ChemDB: 6492804
Ambinter: Amb9794639
ref: mol2, SDF, SMILES, flexibase
4.04,7.49,-9.4,0,3,0, 296.804, 3
3142228
 
#91

TimTec: ST50979820
ChemDB: 6490965
PubChem: 40456215, 4192531
ref: mol2, SDF, SMILES, flexibase
4.37,10.02,-16.44,3,5,0, 467.809, 7
3142227
 
#92

TimTec: ST50979820
ChemDB: 6490965
PubChem: 40456214, 4192531
ref: mol2, SDF, SMILES, flexibase
4.37,10,-15.8,3,5,0, 467.809, 7
12575811
 
#93

Scientific Exchange (make on demand): POD_37/0877
AKOS: AKOS003412227
TimTec: ST50978890
Aronis (Make on Request): ASKVIRT/14966
ChemDB: 6490352...7 total

ref: mol2, SDF, SMILES, flexibase
6.27,11.57,-23.01,1,4,0, 452.135, 5
8444205
 
#94

eMolecules: 26498989
Molport: MolPort-001-542-350, MolPort-019-742-017
AKOS: AKOS003284905
Alinda: IVK/9057269
Mcule: MCULE-1261340682...16 total

ref: mol2, SDF, SMILES, flexibase
7.28,1.98,-9.06,1,4,0, 439.621, 8

Similar to: 33674484, 33678631, 33725376,
204334
 
#95

eMolecules: 4024207
Molport: MolPort-001-544-168
Scientific Exchange: Q-071703
AKOS: AKOS003296797
Alinda: IVK/9244052...16 total

ref: mol2, SDF, SMILES, flexibase
3.06,-0.73,-10.9,1,6,0, 345.424, 5

Similar to: 204335, 668540, 668542, 1217638, 1217639, ... 7 in total.
204335
 
#96

eMolecules: 4024207
Molport: MolPort-001-544-168
Scientific Exchange: Q-071703
AKOS: AKOS003296797
Alinda: IVK/9244052...16 total

ref: mol2, SDF, SMILES, flexibase
3.06,-0.73,-10.93,1,6,0, 345.424, 5

Similar to: 668540, 668542, 1217638, 1217639, ... 7 in total.
401786
 
#97

Scientific Exchange (make on demand): Q-069180
AKOS: AKOS003863934
Aldrich CPR: S902802|ALDRICH
Chembo Pharma: KB-119095
TimTec: ST50446927...12 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.98,-8.84,1,3,0, 220.316, 3

Similar to: 34939063, 34939064,
1656175
 
#98

ChemMol: 44010573
eMolecules: 207297743
Molport: MolPort-003-935-103
American Custom Chemicals Corp.: CHM0078900
Ark Pharm Building Blocks: AK163249...27 total

ref: mol2, SDF, SMILES, flexibase
0.52,4.31,-10.98,0,4,0, 158.153, 5

Similar to: 33841350, 33841861,
17287459
 
#99

Chembo Pharma: KB-50068
Element Store BB: b2star-5164-76-1
Mcule: MCULE-6346302604
Tractus: TRA0066098
ChemDB: 6688673...9 total

ref: mol2, SDF, SMILES, flexibase
0.52,4.15,-5.76,0,4,0, 158.153, 5

Similar to: 33841350, 33841861,
4978166
 
#100

Tetrahedron Building Blocks: TS13648
ChemDB: 6688060
PubChem: 40501200, 4192512
SureChEMBL: SCHEMBL514984
ref: mol2, SDF, SMILES, flexibase
-0.65,-4.15,-10.64,2,5,0, 175.184, 5

Similar to: 2379658,

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Smiles were