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15041898
 
#1

Focus Synthesis BB Make-on-Demand: FS001243
PubChem: 26384804, 55254914
ref: mol2, SDF, SMILES, flexibase
1.98,4.35,-38.4,2,1,1, 138.234, 0

Similar to: 4963516,
15041925
 
#2

ChemMol: 97805317
AK Scientific: Y9181
Chembo Pharma: KB-292015
Molport BB: MolPort-000-141-292
Ryan Scientific BB: 047-60436...15 total

ref: mol2, SDF, SMILES, flexibase
1.82,2.82,-5.72,1,4,0, 261.119, 5
15042084
 
#3

ChemMol: 2100147
Ark Pharm Building Blocks: AK157462
Chembo Pharma: KB-309400
Enamine Building Blocks: EN300-173229
Molport BB: MolPort-000-149-957...9 total

ref: mol2, SDF, SMILES, flexibase
2.09,3.21,-2.92,0,1,0, 133.603, 0
15042087
 
#4

ChemMol: 44015163, 2100148
AK Scientific: 0520AB
Aldrich CPR: CDS010704|ALDRICH
Angene Building Blocks: AGN-PC-0JTL94
Anward: ANW-44932...31 total

ref: mol2, SDF, SMILES, flexibase
2.22,3.32,-3.02,0,1,0, 178.054, 0
15042097
 
#5

ChemMol: 2100152
Ark Pharm Building Blocks: AK136917
Chembo Pharma: KB-236652
Molport BB: MolPort-000-149-963
Focus Synthesis BB Make-on-Demand: FS000666...8 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.23,-10.16,0,2,0, 150.206, 0

Similar to: 34346569, 34346570,
15042100
 
#6

ChemMol: 96703561, 2100153
eMolecules: 521575
Molport: MolPort-003-936-824
Acros Organics: 39850
AK Scientific: Z4534...76 total

ref: mol2, SDF, SMILES, flexibase
0.33,2.86,-38.35,2,3,1, 120.135, 0
mid: mol2, SDF, SMILES, flexibase
0.33,2.38,-10.6,1,3,0, 119.127, 0
mid: mol2, SDF, SMILES, flexibase
0.33,1.91,-33.82,0,3,-1, 118.119, 0
lo: mol2, SDF, SMILES, flexibase
0.33,2.67,-34.36,2,3,1, 120.135, 0
15042356
 
#7

ChemMol: 2100179
Chembo Pharma: KB-25584
Molport BB: MolPort-000-150-055
Focus Synthesis BB Make-on-Demand: FS010860
PubChem: 17749955...6 total

ref: mol2, SDF, SMILES, flexibase
1.67,4.92,-48.87,0,3,-1, 214.291, 4
15042468
 
#8

ChemMol: 2100186
Ark Pharm Building Blocks: AK-57938
Chembo Pharma: KB-11648
Molport BB: MolPort-000-150-097
Tetrahedron Building Blocks: TS22534...13 total

ref: mol2, SDF, SMILES, flexibase
3.08,5.48,-4.81,0,1,0, 219.053, 3

Similar to: 34450167, 34450199,
15042543
 
#9

ChemMol: 2100202
Molport BB: MolPort-000-150-137
Focus Synthesis BB Make-on-Demand: FS011347
PubChem: 17999277, 26385179
ref: mol2, SDF, SMILES, flexibase
3.37,7,-4.84,0,1,0, 271.179, 0
15042546
 
#10

ChemMol: 2100202
Molport BB: MolPort-000-150-137
Focus Synthesis BB Make-on-Demand: FS011347
PubChem: 17999277, 26385180
ref: mol2, SDF, SMILES, flexibase
3.37,6.99,-4.5,0,1,0, 271.179, 0
15042550
 
#11

ChemMol: 2100203
Molport BB: MolPort-000-150-138
Focus Synthesis BB Make-on-Demand: FS011348
PubChem: 17999278, 26385181
ref: mol2, SDF, SMILES, flexibase
3.64,7.6,-4.87,0,1,0, 285.206, 0
15042554
 
#12

ChemMol: 2100203
Molport BB: MolPort-000-150-138
Focus Synthesis BB Make-on-Demand: FS011348
PubChem: 17999278, 26385182
ref: mol2, SDF, SMILES, flexibase
3.64,7.57,-5.12,0,1,0, 285.206, 0
15042593
 
#13

ChemMol: 2100227
Molport BB: MolPort-000-150-175
Focus Synthesis BB Make-on-Demand: FS011392
PubChem: 17999287, 26385212
ref: mol2, SDF, SMILES, flexibase
1.70,6.6,-9.59,0,3,0, 246.353, 2
15042597
 
#14

ChemMol: 2100227
Molport BB: MolPort-000-150-175
Focus Synthesis BB Make-on-Demand: FS011392
PubChem: 17999287, 26385215
ref: mol2, SDF, SMILES, flexibase
1.70,6.61,-9.45,0,3,0, 246.353, 2
15042600
 
#15

ChemMol: 2100228
Molport BB: MolPort-000-150-176
Focus Synthesis BB Make-on-Demand: FS011393
PubChem: 17999288
ref: mol2, SDF, SMILES, flexibase
0.43,2.73,-11.65,3,4,0, 201.276, 0
15042610
 
#16

ChemMol: 2100231
Molport BB: MolPort-000-150-181
Focus Synthesis BB Make-on-Demand: FS011398
PubChem: 26385225, 12213537
ref: mol2, SDF, SMILES, flexibase
1.53,4.35,-5.6,0,3,0, 192.214, 1
15042616
 
#17

ChemMol: 2100231
Molport BB: MolPort-000-150-181
Focus Synthesis BB Make-on-Demand: FS011398
PubChem: 26385228, 26385229, 12213537
ref: mol2, SDF, SMILES, flexibase
1.53,3.41,-4.76,0,3,0, 192.214, 1
15042619
 
#18

Focus Synthesis BB Make-on-Demand: FS011398
PubChem: 26385229
ref: mol2, SDF, SMILES, flexibase
1.53,4.04,-5.58,0,3,0, 192.214, 1
15042630
 
#19

ChemMol: 2100233
Chembo Pharma: KB-02569
Molport BB: MolPort-000-150-184
Focus Synthesis BB Make-on-Demand: FS011401
Debye Scientific BB (Depleted): DB-076654...8 total

ref: mol2, SDF, SMILES, flexibase
0.03,2.9,-17.56,0,4,0, 202.231, 5

Similar to: 34331724, 34331725, 34614344,
15042634
 
#20

ChemMol: 2100233
Chembo Pharma: KB-02569
Molport BB: MolPort-000-150-184
Focus Synthesis BB Make-on-Demand: FS011401
Debye Scientific BB (Depleted): DB-076654...8 total

ref: mol2, SDF, SMILES, flexibase
0.03,2.9,-19.9,0,4,0, 202.231, 5

Similar to: 34331724, 34331725, 34614344,
15042662
 
#21

ChemMol: 2100235
Chembo Pharma: KB-37084
Molport BB: MolPort-000-150-197
Focus Synthesis BB Make-on-Demand: FS011414
PubChem: 17749973...6 total

ref: mol2, SDF, SMILES, flexibase
1.84,6.06,-11.15,0,2,0, 237.1, 3
lo: mol2, SDF, SMILES, flexibase
1.84,6.35,-42.59,1,2,1, 238.108, 3
15042664
 
#22

ChemMol: 2100235
Chembo Pharma: KB-37084
Molport BB: MolPort-000-150-197
Focus Synthesis BB Make-on-Demand: FS011414
PubChem: 17749973...6 total

ref: mol2, SDF, SMILES, flexibase
1.84,6.13,-7.45,0,2,0, 237.1, 3
lo: mol2, SDF, SMILES, flexibase
1.84,6.43,-39.68,1,2,1, 238.108, 3
15042703
 
#23

ChemMol: 2100245
American Custom Chemicals Corp.: CHM0147582
Chembo Pharma: KB-25622
Molport BB: MolPort-000-150-215
Tetrahedron Building Blocks: TS51377...11 total

ref: mol2, SDF, SMILES, flexibase
-0.25,1.11,-6.8,0,3,0, 155.197, 1

Similar to: 34588666, 34588668,
15042706
 
#24

ChemMol: 2100245
American Custom Chemicals Corp.: CHM0147582
Chembo Pharma: KB-25622
Molport BB: MolPort-000-150-215
Tetrahedron Building Blocks: TS51377...11 total

ref: mol2, SDF, SMILES, flexibase
-0.25,1.11,-6.8,0,3,0, 155.197, 1

Similar to: 34588666, 34588668,
15042728
 
#25

ChemMol: 2100246
Chembo Pharma: KB-13886
Molport BB: MolPort-000-150-221
Tetrahedron Building Blocks: TS15414
Focus Synthesis BB Make-on-Demand: FS011444...6 total

ref: mol2, SDF, SMILES, flexibase
1.63,4.73,-7.47,0,2,0, 185.024, 2
15042732
 
#26

ChemMol: 2100247
Chembo Pharma: KB-37076
Molport BB: MolPort-000-150-222
Focus Synthesis BB Make-on-Demand: FS011445
AKOS BB (make-on-demand): AKOS015910926...7 total

ref: mol2, SDF, SMILES, flexibase
3.55,7.87,-8.11,0,1,0, 236.112, 3
15042735
 
#27

ChemMol: 2100247
Chembo Pharma: KB-37076
Molport BB: MolPort-000-150-222
Focus Synthesis BB Make-on-Demand: FS011445
AKOS BB (make-on-demand): AKOS015910926...7 total

ref: mol2, SDF, SMILES, flexibase
3.55,7.94,-4.98,0,1,0, 236.112, 3
15042807
 
#28

ChemMol: 2100258
Chembo Pharma: KB-41854
Molport BB: MolPort-000-150-250
Focus Synthesis BB Make-on-Demand: FS011479
PubChem: 17749996...5 total

ref: mol2, SDF, SMILES, flexibase
3.64,4.26,-3.1,0,2,0, 306.028, 4
lo: mol2, SDF, SMILES, flexibase
3.64,4.97,-36.6,1,2,1, 307.036, 4

Similar to: 42376441, 42389633,
15042827
 
#29

ChemMol: 2100334
Chembo Pharma: KB-30357
Molport BB: MolPort-000-150-333
Focus Synthesis BB Make-on-Demand: FS000996
PubChem: 17750001...6 total

ref: mol2, SDF, SMILES, flexibase
2.47,3.77,-3.4,1,3,0, 265.538, 4
15042833
 
#30

ChemMol: 2100335
Chembo Pharma: KB-42519
Molport BB: MolPort-000-150-335
Tetrahedron Building Blocks: TS67985
Focus Synthesis BB Make-on-Demand: FS000994...10 total

ref: mol2, SDF, SMILES, flexibase
4.32,6.88,-3.09,1,2,0, 257.175, 6

Similar to: 21794037, 21813597, 21813881, 21813882, 21814780, ... 8 in total.
15042873
 
#31

ChemMol: 2100659
American Custom Chemicals Corp.: CHM0015317
Molport BB: MolPort-000-150-353
Tractus: TRA0160897
Focus Synthesis BB Make-on-Demand: FS001316...11 total

ref: mol2, SDF, SMILES, flexibase
1.78,6.57,-52.77,0,4,-1, 201.242, 7

Similar to: 34371856, 34371860, 34447597, 34447598, 38410273, ... 13 in total.
15042898
 
#32

ChemMol: 2100357
Chembo Pharma: KB-287428
Molport BB: MolPort-000-150-366
Focus Synthesis BB Make-on-Demand: FS000275
PubChem: 11020558...6 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.99,-8.53,3,4,0, 224.695, 1

Similar to: 39712,
15042919
 
#33

ChemMol: 2100376
Ark Pharm Building Blocks: AK-24161
Chembo Pharma: KB-50783
Molport BB: MolPort-000-150-395
Focus Synthesis BB Make-on-Demand: FS002001...8 total

ref: mol2, SDF, SMILES, flexibase
0.43,4.9,-8.27,0,5,0, 270.086, 4
15042922
 
#34

ChemMol: 2100376
Ark Pharm Building Blocks: AK-24161
Chembo Pharma: KB-50783
Molport BB: MolPort-000-150-395
Focus Synthesis BB Make-on-Demand: FS002001...8 total

ref: mol2, SDF, SMILES, flexibase
0.43,4.89,-8.28,0,5,0, 270.086, 4
15042932
 
#35

ChemMol: 2100402, 44025108
eMolecules: 4351004
AK Scientific: X5320
Angene Building Blocks: AGN-PC-0MYU0Q
Anward: ANW-32574...37 total

ref: mol2, SDF, SMILES, flexibase
2.74,2.77,-6.34,0,2,0, 212.046, 0
15042985
 
#36

ChemMol: 2100426
Chembo Pharma: KB-19360
Molport BB: MolPort-000-150-471
Focus Synthesis BB Make-on-Demand: FS002052
PubChem: 10706165...6 total

ref: mol2, SDF, SMILES, flexibase
3.78,7.02,-7.03,0,1,0, 255.136, 1

Similar to: 32264238,
15043009
 
#37

ChemMol: 2100435
Molport BB: MolPort-000-150-483
Focus Synthesis BB Make-on-Demand: FS002058
BOC Sciences BB (Depleted): 142363-99-3
PubChem: 10585280...6 total

ref: mol2, SDF, SMILES, flexibase
2.53,4.75,-6.98,2,3,0, 225.244, 2

Similar to: 34522847, 39120635, 39121659,
15043020
 
#38

ChemMol: 2100438
Ark Pharm Building Blocks: AK153494
Chembo Pharma: KB-54405
Molport BB: MolPort-000-150-487
Tetrahedron Building Blocks: TS50141...10 total

ref: mol2, SDF, SMILES, flexibase
2.98,5.97,-8.96,0,3,0, 222.265, 3

Similar to: 34433394, 34522969, 36467929, 39241410, 39318704, ... 5 in total.
15043087
 
#39

Focus Synthesis BB Make-on-Demand: FS002069
PubChem: 13452637, 17803868
SureChEMBL: SCHEMBL6831679
ref: mol2, SDF, SMILES, flexibase
-2.31,6.96,-25.77,0,1,1, 148.229, 0

Similar to: 39649076,
15043110
 
#40

ChemMol: 2100470
Molport BB: MolPort-000-150-522
Focus Synthesis BB Make-on-Demand: FS002077
IBM Patent Data: 136044601
PubChem: 17750038...8 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.31,-46.77,0,5,-1, 196.193, 1
lo: mol2, SDF, SMILES, flexibase
1.57,3.72,-36.48,1,5,0, 197.201, 1
15043114
 
#41

ChemMol: 2100471
Chembo Pharma: KB-40561
Molport BB: MolPort-000-150-523
Focus Synthesis BB Make-on-Demand: FS002078
PubChem: 17750039...9 total

ref: mol2, SDF, SMILES, flexibase
2.21,4.86,-39.2,0,4,-1, 215.261, 2
lo: mol2, SDF, SMILES, flexibase
2.21,5,-12.49,1,4,0, 216.269, 2
15043117
 
#42

ChemMol: 2100472
Ark Pharm Building Blocks: AK137087
Chembo Pharma: KB-46153
Molport BB: MolPort-000-150-524
Focus Synthesis BB Make-on-Demand: FS002079...11 total

ref: mol2, SDF, SMILES, flexibase
3.03,7.04,-6.44,0,1,0, 257.152, 0
15043135
 
#43

ChemMol: 2100483
American Custom Chemicals Corp.: CHM0148880
Chembo Pharma: KB-87637
Molport BB: MolPort-000-150-542
Tetrahedron Building Blocks: TS67269...13 total

ref: mol2, SDF, SMILES, flexibase
2.55,5.48,-11,0,5,0, 346.452, 5

Similar to: 33593890, 14239751, 14239789,
15043143
 
#44

ChemMol: 2100489
Molport BB: MolPort-000-150-550
Focus Synthesis BB Make-on-Demand: FS005014
BOC Sciences BB (Depleted): 108950-25-0
PubChem: 15633409...5 total

ref: mol2, SDF, SMILES, flexibase
2.39,6.14,-9.79,0,3,0, 220.268, 1

Similar to: 32138842, 4227303,
15043173
 
#45

ChemMol: 2100494
Chembo Pharma: KB-23605
Chemstep: 18817
Molport BB: MolPort-000-150-557
Focus Synthesis BB Make-on-Demand: FS005021...6 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.71,-6.85,0,2,0, 138.195, 2
15043181
 
#46

ChemMol: 2100495
Molport BB: MolPort-000-150-560
Focus Synthesis BB Make-on-Demand: FS005024
PubChem: 26385551, 13622301
ref: mol2, SDF, SMILES, flexibase
-0.12,4.32,-12.8,0,4,0, 221.237, 0
15043184
 
#47

ChemMol: 2100495
Molport BB: MolPort-000-150-560
Focus Synthesis BB Make-on-Demand: FS005024
PubChem: 26385554, 13622301
ref: mol2, SDF, SMILES, flexibase
-0.12,4.33,-13.16,0,4,0, 221.237, 0
5134041
 
#48

ChemMol: 2101555
eMolecules: 5820422, 666720
Molport: MolPort-001-834-883, MolPort-002-904-601
Scientific Exchange (make on demand): F-278702
AK Scientific: W5247...51 total

ref: mol2, SDF, SMILES, flexibase
1.54,2.46,-10.93,2,2,0, 156.254, 0
mid: mol2, SDF, SMILES, flexibase
1.58,2.07,-24.67,2,2,1, 157.262, 0
5133957
 
#49

ChemMol: 2101556
eMolecules: 5820422, 666720
Molport: MolPort-001-834-883
Scientific Exchange (make on demand): F-278702
AK Scientific: W5247...39 total

ref: mol2, SDF, SMILES, flexibase
1.58,2.35,-9.02,2,2,0, 156.254, 0
mid: mol2, SDF, SMILES, flexibase
1.58,2.09,-24.68,2,2,1, 157.262, 0
6369911
 
#50

ChemMol: 42301090, 2100151
eMolecules: 4350739
Molport: MolPort-019-931-073, MolPort-019-938-314
AK Scientific: V7266
Aldrich CPR: CBR01690|ALDRICH...58 total

ref: mol2, SDF, SMILES, flexibase
0.62,3.21,-13.33,1,3,0, 133.154, 0
lo: mol2, SDF, SMILES, flexibase
0.62,3.52,-32.19,2,3,1, 134.162, 0

Similar to: 32189317,
13216414
 
#51

ChemMol: 44021419, 97805111, 2100154
Aldrich CPR: CDS020265|ALDRICH
Alfa-Aesar: L19131
Ark Pharm Building Blocks: AK-35949
Chembo Pharma: KB-173799...31 total

ref: mol2, SDF, SMILES, flexibase
0.42,1.8,-35.72,0,3,-1, 132.146, 0
mid: mol2, SDF, SMILES, flexibase
0.42,2.27,-8.79,1,3,0, 133.154, 0
lo: mol2, SDF, SMILES, flexibase
0.42,2.53,-33.76,2,3,1, 134.162, 0
lo: mol2, SDF, SMILES, flexibase
0.42,3.16,-92.63,3,3,2, 135.17, 0

Similar to: 32189316,
2529890
 
#52

ChemMol: 1202151, 98002317, 2100163
eMolecules: 848262
AK Scientific: X2729
AKOS: AKOS000111485
Alfa-Aesar: H32849...64 total

ref: mol2, SDF, SMILES, flexibase
1.93,3.73,-10.77,0,3,0, 202.156, 4
31178
 
#53

ChemMol: 2100167
eMolecules: 875057
AKOS: AKOS000279570
Chembo Pharma: KB-09971
Enamine Building Blocks: EN300-170087...37 total

ref: mol2, SDF, SMILES, flexibase
2.03,-0.21,-8.11,0,2,0, 136.179, 0
13491993
 
#54

ChemMol: 2100198
Chembo Pharma: KB-46511
Molport BB: MolPort-000-150-123
Focus Synthesis BB Make-on-Demand: FS011333
BindingDB.org: 50120757...9 total

ref: mol2, SDF, SMILES, flexibase
1.81,10.37,-15.14,2,5,0, 225.255, 1
mid: mol2, SDF, SMILES, flexibase
1.81,10.84,-28.24,3,5,1, 226.263, 1

Similar to: 34558206, 34573484,
105016
 
#55

ChemMol: 2100199
eMolecules: 4351500
AK Scientific: 8802AE
Chembo Pharma: KB-13334
Key Organics Building Blocks: AE-0730...18 total

ref: mol2, SDF, SMILES, flexibase
1.26,2.58,-5.27,1,2,0, 157.238, 0

Similar to: 32137262, 32137263, 32222834, 32222835, ... 4 in total.
1074729
 
#56

ChemMol: 2100201
eMolecules: 2036634
AKOS: AKOS000359432
Ark Pharm Building Blocks: AK-56384
Chembo Pharma: KB-310244...21 total

ref: mol2, SDF, SMILES, flexibase
2.64,-2.74,-7.8,1,2,0, 302.218, 0
403242
 
#57

ChemMol: 44014516, 30109851, 2100323, 97801717
eMolecules: 513801
Acorn PharmaTech: ACN-S003737
Acros Organics: 43785
AK Scientific: U412...54 total

ref: mol2, SDF, SMILES, flexibase
0.55,0.93,-5.13,2,3,0, 117.148, 1
403241
 
#58

ChemMol: 44014516, 30109851, 2100323, 97801717
eMolecules: 513801
Acorn PharmaTech: ACN-S003737
Acros Organics: 43785
AK Scientific: U412...54 total

ref: mol2, SDF, SMILES, flexibase
0.55,0.94,-5.11,2,3,0, 117.148, 1
2390326
 
#59

ChemMol: 2100363
Alfa-Aesar: L09727
Chembo Pharma: KB-50713
FineTech: FT-0618593
Molport BB: MolPort-000-150-377...20 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.87,-3.46,1,1,0, 98.145, 1

Similar to: 5227164,
5227164
 
#60

ChemMol: 2100363
Alfa-Aesar: L09727
Chembo Pharma: KB-50713
FineTech: FT-0618593
Molport BB: MolPort-000-150-377...21 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.87,-3.47,1,1,0, 98.145, 1

Similar to: 2390326,
2455661
 
#61

ChemMol: 2100405
eMolecules: 905613
AK Scientific: 1865AE
AKOS: AKOS002391365
Aldrich CPR: L482080|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
2.52,-6.88,-6.03,3,3,0, 244.117, 1
1727148
 
#62

ChemMol: 2100406, 44009671, 1036593
eMolecules: 726400
Acros Organics: CC41410
AK Scientific: Y6778
AKOS: AKOS000422688...46 total

ref: mol2, SDF, SMILES, flexibase
3.01,0.97,-5.08,0,1,0, 210.074, 0

Similar to: 39237323,
1530746
 
#63

ChemMol: 2100416
eMolecules: 887040
Scientific Exchange (make on demand): F-441680
Aldrich CPR: TMT00202|ALDRICH
Alfa-Aesar: B25257...27 total

ref: mol2, SDF, SMILES, flexibase
3.15,3.47,-7.73,0,4,0, 298.338, 9

Similar to: 5759317, 32166383, 32166387, 32166389, 32166391, ... 7 in total.
12955566
 
#64

ChemMol: 2100421
Ark Pharm Building Blocks: AK135012
Chembo Pharma: KB-30000
Element Store BB: b2star-10135-00-9
EndoTherm: ENU260...15 total

ref: mol2, SDF, SMILES, flexibase
3.67,6.23,-6.3,0,1,0, 241.109, 1

Similar to: 32264362,
2565605
 
#65

ChemMol: 2100424
eMolecules: 38806626
Apexmol Building Blocks: AM97508
Ark Pharm Building Blocks: AK-46405
BOC Sciences BB: 13580-86-4...17 total

ref: mol2, SDF, SMILES, flexibase
2.14,-1.01,-10.33,2,3,0, 179.61, 0
lo: mol2, SDF, SMILES, flexibase
2.14,-2.72,-24.87,3,3,1, 180.618, 0
339142
 
#66

AK Scientific: 2728AF
Ark Pharm Building Blocks: AK-76192
Chembo Pharma: KB-266724
Molport BB: MolPort-000-150-476
Specs: AA-516/33240003...10 total

ref: mol2, SDF, SMILES, flexibase
3.98,1.13,-6.68,0,2,0, 240.711, 3
8698493
 
#67

ChemMol: 44018890, 2100433, 97805649
A&J Pharmtech: AJ-01986
ACT Chemical BB: ACT09892
Adesis: 6-147
AK Scientific: X0278...63 total

ref: mol2, SDF, SMILES, flexibase
2.23,5.5,-7,0,2,0, 197.035, 0
3199655
 
#68

ChemMol: 2100434
AK Scientific: 5048AC
Ark Pharm Building Blocks: AK116287
BePharm Building Blocks: B110506
Chembo Pharma: KB-46307...16 total

ref: mol2, SDF, SMILES, flexibase
3.54,0.37,-4.77,0,0,0, 168.648, 0

Similar to: 5784499,
1700961
 
#69

ChemMol: 2100436
Chembo Pharma: KB-21205
Molport BB: MolPort-000-150-484
NCI Plated 2007: 108790
Focus Synthesis BB Make-on-Demand: FS002059...9 total

ref: mol2, SDF, SMILES, flexibase
4.21,-0.13,-3.91,0,0,0, 227.126, 0

Similar to: 39278505, 39283055, 39292257, 39305732, 39305755, ... 6 in total.
216968
 
#70

ChemMol: 2100439
eMolecules: 4351072
AK Scientific: HTS004167, 4383AD
Alinda Building Blocks: ALBB-028252
Chembo Pharma: KB-54049...30 total

ref: mol2, SDF, SMILES, flexibase
2.50,0.3,-8.13,2,3,0, 225.244, 2
424363
 
#71

ChemMol: 2100451
eMolecules: 705850
ACB Blocks: MIX-0376
AK Scientific: X4199
AKOS: AKOS000416614...34 total

ref: mol2, SDF, SMILES, flexibase
2.86,9.82,-15.61,0,3,0, 274.121, 1
12370200
 
#72

ChemMol: 2100468, 44023308
eMolecules: 4351096
AK Scientific: Y8345
BioSynth: W-206781
Chembo Pharma: KB-11219...19 total

ref: mol2, SDF, SMILES, flexibase
2.61,1.9,-8.04,0,1,0, 159.213, 0

Similar to: 32270322, 34567584,
8700543
 
#73

ChemMol: 97805463, 44027374, 2100473
AK Scientific: X5894
Anward: ANW-59980
Apexmol Building Blocks: AM90104
Ark Pharm Building Blocks: AK-28145...33 total

ref: mol2, SDF, SMILES, flexibase
3.67,-0.23,-3.92,0,0,0, 213.099, 0

Similar to: 38264597,
12505428
 
#74

ChemMol: 2100474
AK Scientific: Y9455
Aldrich CPR: SYX00219|ALDRICH
Anward: ANW-54813
Ark Pharm Building Blocks: AK-81692...30 total

ref: mol2, SDF, SMILES, flexibase
2.66,5.44,-7.18,0,2,0, 241.084, 0

Similar to: 32090959, 34979894, 36192997, 36193016, 36193420, ... 7 in total.
4566185
 
#75

ChemMol: 2100493
Chembo Pharma: KB-26274
Molport BB: MolPort-000-150-556
Tetrahedron Building Blocks: TS44173
TimTec: ST50441875...13 total

ref: mol2, SDF, SMILES, flexibase
2.12,4.22,-5.99,0,4,0, 212.245, 7

Similar to: 4566186, 34547699, 34617625, 35904969, 38523447, ... 16 in total.
4566186
 
#76

ChemMol: 2100493
Chembo Pharma: KB-26274
Molport BB: MolPort-000-150-556
Tetrahedron Building Blocks: TS44173
TimTec: ST50441875...12 total

ref: mol2, SDF, SMILES, flexibase
2.12,4.22,-5.99,0,4,0, 212.245, 7

Similar to: 34547699, 34617625, 35904969, 38278521, 38523447, ... 17 in total.
266396
 
#77

Chemical Block: A4381/0187113
NCI Plated 2007: 76044
TimTec Building Blocks: SBB003435
Vitas-M: STK664283
Focus Synthesis BB Make-on-Demand: FS011315...5 total

ref: mol2, SDF, SMILES, flexibase
-0.12,1.84,-102.13,5,4,2, 213.325, 2

Similar to: 33755292, 33755293, 33755329, 37140353, 37140354, ... 32 in total.
1614215
 
#78

Focus Synthesis BB Make-on-Demand: FS011395
ref: mol2, SDF, SMILES, flexibase
-0.31,2.7,-46.32,1,3,1, 139.178, 2

Similar to: 5809455, 39706456, 39706457,
5809455
 
#79

Focus Synthesis BB Make-on-Demand: FS011395
ref: mol2, SDF, SMILES, flexibase
-0.31,2.57,-45.93,1,3,1, 139.178, 2

Similar to: 39706456, 39706457, 1614215,
12343406
 
#80

ChemMol: 2100230
eMolecules: 1098610
AK Scientific: 9322AA
AKOS: AKOS000264701
Alfa-Aesar: H27645...62 total

ref: mol2, SDF, SMILES, flexibase
1.64,3.3,-47.48,1,3,-1, 209.265, 2

Similar to: 34624624, 39386690, 39386691, 39386692, 39386693, ... 5 in total.
4253669
 
#81

ChemMol: 44019323, 2100240
AK Scientific: Z5215
Aldrich CPR: CDS009573|ALDRICH
Anward: ANW-45002
Ark Pharm Building Blocks: AK-21271...32 total

ref: mol2, SDF, SMILES, flexibase
2.72,-1.25,-43.95,2,1,1, 214.741, 1

Similar to: 4253675,
4253675
 
#82

ChemMol: 2100240, 44019323
AK Scientific: Z5215
Aldrich CPR: CDS009573|ALDRICH
Anward: ANW-45002
Ark Pharm Building Blocks: AK-21271...32 total

ref: mol2, SDF, SMILES, flexibase
2.72,-1.26,-41.44,2,1,1, 214.741, 1

Similar to: 4253669,
4206488
 
#83

Maybridge Building Blocks: CC48613
Focus Synthesis BB Make-on-Demand: FS011428
Apollo Scientific (Depleted): OR9210
ref: mol2, SDF, SMILES, flexibase
0.72,4.57,-115.17,4,3,2, 208.305, 3

Similar to: 12370368, 20080893, 20230880, 37996391, 37996392, ... 8 in total.
107471
 
#84

Alfa-Aesar: H27645
Asinex Building Blocks: BAS10152803
ChemBridge BuildingBlocks: 4013907
Life Chemicals: F3052-0016
Matrix Scientific: 012727...10 total

ref: mol2, SDF, SMILES, flexibase
1.64,3.3,-47.49,1,3,-1, 209.265, 2

Similar to: 34624624, 39386690, 39386691, 39386692, 39386693, ... 5 in total.
4785
 
#85

ChemMol: 44000795, 30100527, 2100000
eMolecules: 535714
Molport: MolPort-023-220-275
Scientific Exchange (make on demand): POD_84/0323
Acros Organics: 34436...174 total

ref: mol2, SDF, SMILES, flexibase
2.84,6.95,-10.42,2,3,0, 236.274, 0
ref: mol2, SDF, SMILES, flexibase
2.60,5.58,-25.52,3,3,1, 237.282, 1
mid: mol2, SDF, SMILES, flexibase
2.60,5.16,-7.11,2,3,0, 236.274, 1
mid: mol2, SDF, SMILES, flexibase
2.60,4.97,-7.87,2,3,0, 236.274, 1
19632834
 
#86

ChemMol: 97602995, 30111014, 30104584, 97900005, 44004116, 2100002
Molport: MolPort-002-885-823
Acorn PharmaTech: ACN-S002478, ACN-S002477
Active BioPharma: 31
AKOS: AKOS015895596...195 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.34,-16.14,0,9,0, 388.815, 3

Similar to: 38432739, 38512417, 38558982, 38558983, 38559579, ... 18 in total.
3930376
 
#87

ChemMol: 44003036, 30103053, 2100003
eMolecules: 2726159
AKOS: AKOS005145737
Alinda: IBS-L0216400
Anward: ANW-43238...100 total

ref: mol2, SDF, SMILES, flexibase
2.67,10.58,-21.49,2,13,0, 501.477, 15

Similar to: 3989271, 34608734, 34838931, 38218456, 38218457, ... 6 in total.
3810860
 
#88

ChemMol: 30108023, 2100005, 44006217
eMolecules: 2736798
Molport: MolPort-005-972-419
ACT Chemical BB: ACT03511
American Custom Chemicals Corp.: API0002672...111 total

ref: mol2, SDF, SMILES, flexibase
4.38,9.12,-14.62,2,4,0, 409.432, 6

Similar to: 3937490, 3937491, 9211540, 9223145, 11616665, ... 25 in total.
403422
 
#89

ChemMol: 2101946, 44002386, 1203331, 30102038, 98001798
Acros Organics: 34506
AKOS: AKOS015853212
Alfa-Aesar: L19237
Angene Building Blocks: AGN-PC-0KK6AE...59 total

ref: mol2, SDF, SMILES, flexibase
1.84,3.69,-41.21,0,3,-1, 205.111, 2

Similar to: 38285343,
35655072
 
#90

ChemMol: 2101944
Scientific Exchange (make on demand): F-315437
Molport BB: MolPort-006-192-740
Tractus: TRA0066903
Focus Synthesis BB Make-on-Demand: FS009365...15 total

ref: mol2, SDF, SMILES, flexibase
1.95,4.22,-36.01,2,1,1, 136.218, 0

Similar to: 39038194, 39048713, 31560012, 3631558, 16978240, ... 5 in total.
4202499
 
#91

ChemMol: 2101879, 1202768, 2000867
Molport: MolPort-019-931-418
Aldrich CPR: CDS007819|ALDRICH
Alinda Building Blocks: ALBB-016696
Anward: ANW-58640...40 total

ref: mol2, SDF, SMILES, flexibase
-1.29,-0.9,-35.7,2,3,0, 143.186, 1

Similar to: 37118421, 37118422, 41730491, 41730495, 41734614, ... 82 in total.
4202498
 
#92

ChemMol: 2101879, 1202768, 2000867
Molport: MolPort-019-931-418
Aldrich CPR: CDS007819|ALDRICH
Alinda Building Blocks: ALBB-016696
Anward: ANW-58640...39 total

ref: mol2, SDF, SMILES, flexibase
-1.29,-0.9,-35.71,2,3,0, 143.186, 1

Similar to: 4202499, 37118421, 37118422, 41730491, 41730495, ... 83 in total.
39645571
 
#93

ChemMol: 51503681, 2101863
Molport: MolPort-015-164-221
Molport BB: MolPort-015-164-221
Tractus: TRA0128976
Focus Synthesis BB Make-on-Demand: FS009800...14 total

ref: mol2, SDF, SMILES, flexibase
-0.89,-2.05,-38.47,3,3,1, 143.21, 0
mid: mol2, SDF, SMILES, flexibase
-0.89,0.08,-107.98,4,3,2, 144.218, 0
lo: mol2, SDF, SMILES, flexibase
-0.89,-1.26,-30.38,3,3,1, 143.21, 0

Similar to: 34355620, 34355622, 34474886, 34474887, 39645570, ... 5 in total.
39645570
 
#94

ChemMol: 51503681, 2101863
Molport: MolPort-015-164-221
Molport BB: MolPort-015-164-221
Tractus: TRA0128976
Focus Synthesis BB Make-on-Demand: FS009800...12 total

ref: mol2, SDF, SMILES, flexibase
-0.89,-2.05,-39.66,3,3,1, 143.21, 0
mid: mol2, SDF, SMILES, flexibase
-0.89,0.08,-108.44,4,3,2, 144.218, 0
lo: mol2, SDF, SMILES, flexibase
-0.89,-1.26,-29.94,3,3,1, 143.21, 0

Similar to: 39645571, 34355620, 34355622, 34474886, 34474887, ... 5 in total.
3791737
 
#95

ChemMol: 2101860, 30104594
AK Scientific: I873
Anward: ANW-58934
APIChem: AC-2033
Ark Pharm Building Blocks: AK-56509...42 total

ref: mol2, SDF, SMILES, flexibase
-0.13,-4.41,-113.86,2,6,0, 349.387, 2

Similar to: 34615062, 34615064, 38606540, 38606542, ... 4 in total.
4655141
 
#96

ChemMol: 2101860, 30104594
AK Scientific: I873
Anward: ANW-58934
APIChem: AC-2033
Ark Pharm Building Blocks: AK-56509...41 total

ref: mol2, SDF, SMILES, flexibase
-0.13,-4.33,-114.26,2,6,0, 349.387, 2

Similar to: 34615062, 34615064, 38606540, 38606542, ... 4 in total.
12055
 
#97

ChemMol: 2101852
Chembo Pharma: KB-105128
Focus Synthesis BB Make-on-Demand: FS040238
AKOS BB (make-on-demand): AKOS015969129
PubChem: 53484345...10 total

ref: mol2, SDF, SMILES, flexibase
0.53,-3.58,-53.63,4,4,1, 234.323, 3

Similar to: 342991, 1515574, 8169774, 36222368, 36222419, ... 6 in total.
4202749
 
#98

ChemMol: 51500925, 1033193, 30115398, 44025169, 2101747
AK Scientific: W4064
AKOS: AKOS015856445
Aldrich CPR: CDS008008|ALDRICH
Angene Building Blocks: AGN-PC-0K69ER...42 total

ref: mol2, SDF, SMILES, flexibase
0.10,1.16,-11.34,1,3,0, 123.111, 1

Similar to: 22199967,
13108134
 
#99

ChemMol: 97900980, 2101622
Active BioPharma: 2076
BOC Sciences BB: 106243-16-7
Cayman Chemical: 10011127
Molport BB: MolPort-003-983-698...50 total

ref: mol2, SDF, SMILES, flexibase
2.66,9.81,-47.23,3,4,1, 293.46, 4
mid: mol2, SDF, SMILES, flexibase
2.66,9.19,-13.36,2,4,0, 292.452, 4
mid: mol2, SDF, SMILES, flexibase
2.66,9.15,-16.07,2,4,0, 292.452, 4

Similar to: 34644860, 39051571, 39131290,
14951170
 
#100

ChemMol: 97900020, 2101621
Active BioPharma: 58
Cayman Chemical: 10011126
Fluorochem: M01447
Molport BB: MolPort-003-983-532...39 total

ref: mol2, SDF, SMILES, flexibase
2.54,8.47,-84.45,5,4,2, 310.854, 7
mid: mol2, SDF, SMILES, flexibase
2.67,8.13,-38.57,4,4,1, 309.846, 8
mid: mol2, SDF, SMILES, flexibase
2.54,8,-36.36,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.54,8.13,-42.24,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.54,8.16,-38.08,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.54,7.98,-40.77,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.67,8.1,-42.93,4,4,1, 309.846, 8
hi: mol2, SDF, SMILES, flexibase
2.67,8.11,-8.6,3,4,0, 308.838, 8

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 = 595 ) limit 0,100

Smiles were