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19503591
 
#1

Molport: MolPort-003-761-595
AKOS: AKOS000185926
Ark Pharm Building Blocks: AK121379
Chembo Pharma: KB-222718
ChemBridge BuildingBlocks: 4027567...19 total

ref: mol2, SDF, SMILES, flexibase
0.22,2.37,-93.38,4,3,2, 187.331, 3
mid: mol2, SDF, SMILES, flexibase
0.22,1.94,-116.46,4,3,2, 187.331, 3
hi: mol2, SDF, SMILES, flexibase
0.22,-0,-41.85,3,3,1, 186.323, 3

Similar to: 36170668, 42461701, 42461703, 42461763, ... 4 in total.
19795799
 
#2

Molport: MolPort-003-761-593
AKOS: AKOS000122873
Mcule: MCULE-5052479035
Molport BB: MolPort-003-761-593
Otava: 7020410329...15 total

ref: mol2, SDF, SMILES, flexibase
0.71,3.14,-107.35,4,2,2, 146.278, 4
hi: mol2, SDF, SMILES, flexibase
0.71,2.65,-24.91,3,2,1, 145.27, 4

Similar to: 37094776,
19795797
 
#3

ChemMol: 2101430
eMolecules: 9786792
Molport: MolPort-003-761-592
Scientific Exchange Building Blocks: F-415555
AK Scientific: V7691...41 total

ref: mol2, SDF, SMILES, flexibase
-0.04,1.91,-107.92,4,2,2, 118.224, 2
hi: mol2, SDF, SMILES, flexibase
-0.04,1.41,-26.63,3,2,1, 117.216, 2

Similar to: 39261668,
19795795
 
#4

Molport: MolPort-003-761-591
Scientific Exchange (make on demand): F-392620
AKOS: AKOS000122874
Alinda Building Blocks: ALBB-012288
ChemBridge BuildingBlocks: 4004269...23 total

ref: mol2, SDF, SMILES, flexibase
0.36,3.03,-108.95,4,2,2, 144.262, 2
hi: mol2, SDF, SMILES, flexibase
0.36,2.67,-26.78,3,2,1, 143.254, 2

Similar to: 33755017, 36790290, 36790291,
19201145
 
#5

AKOS: AKOS000146037
Asinex: ASN16454904
Innovapharm: STT-00286467
Innovapharm Building Blocks: BBS-00008297
Matrix Scientific: 021351...20 total

ref: mol2, SDF, SMILES, flexibase
2.04,4.23,-44.91,3,2,1, 225.381, 3
mid: mol2, SDF, SMILES, flexibase
2.04,5.2,-28.17,3,2,1, 225.381, 3
hi: mol2, SDF, SMILES, flexibase
2.04,3.36,-2.67,2,2,0, 224.373, 3

Similar to: 21803389, 21803392, 21803394, 21803397, 34963620, ... 19 in total.
19201142
 
#6

AKOS: AKOS000146037
Asinex: ASN16454904
Innovapharm: STT-00286467
Innovapharm Building Blocks: BBS-00008297
Matrix Scientific: 021351...20 total

ref: mol2, SDF, SMILES, flexibase
2.04,4.75,-39.18,3,2,1, 225.381, 3
mid: mol2, SDF, SMILES, flexibase
2.04,5.8,-27.53,3,2,1, 225.381, 3
hi: mol2, SDF, SMILES, flexibase
2.04,3.65,-1.77,2,2,0, 224.373, 3

Similar to: 21803389, 21803392, 21803394, 21803397, 34963620, ... 23 in total.
19702341
 
#7

eMolecules: 2863441, 13084797
Molport: MolPort-004-968-139, MolPort-000-853-654, MolPort-002-467-355
AK Scientific: 0841AF
AKOS: AKOS000263657
Asinex: BAS12542331...45 total

ref: mol2, SDF, SMILES, flexibase
0.52,2.97,-116.11,4,3,2, 227.377, 3
mid: mol2, SDF, SMILES, flexibase
0.52,0.5,-46.95,3,3,1, 226.369, 3

Similar to: 34963612, 34963614, 36170794, 36170795, 36984004, ... 20 in total.
19702339
 
#8

eMolecules: 2863441, 13084797
Molport: MolPort-004-968-139, MolPort-000-853-654, MolPort-002-467-355
AK Scientific: 0841AF
AKOS: AKOS000263657
Asinex: BAS12542331...45 total

ref: mol2, SDF, SMILES, flexibase
0.52,3,-102.61,4,3,2, 227.377, 3
mid: mol2, SDF, SMILES, flexibase
0.52,0.53,-47.12,3,3,1, 226.369, 3

Similar to: 34963612, 34963614, 36170794, 36170795, 36786839, ... 20 in total.
19201130
 
#9

AKOS: AKOS000143065
Asinex: ASN16454890
Asinex Building Blocks: BAS16454890
Innovapharm Building Blocks: BBS-00009710
Matrix Scientific: 021567...24 total

ref: mol2, SDF, SMILES, flexibase
1.25,4.73,-113.4,4,3,2, 255.793, 3
mid: mol2, SDF, SMILES, flexibase
1.25,2.25,-41.74,3,3,1, 254.785, 3

Similar to: 21802950, 21812896, 21812897, 21813482, 36170798, ... 33 in total.
19201126
 
#10

AKOS: AKOS000143065
Asinex: ASN16454890
Asinex Building Blocks: BAS16454890
Innovapharm Building Blocks: BBS-00009710
Matrix Scientific: 021567...24 total

ref: mol2, SDF, SMILES, flexibase
1.25,4.7,-113.76,4,3,2, 255.793, 3
mid: mol2, SDF, SMILES, flexibase
1.25,2.23,-41.92,3,3,1, 254.785, 3

Similar to: 21802950, 21812896, 21812897, 21813482, 36170798, ... 36 in total.
19201122
 
#11

AKOS: AKOS000149786
Asinex: ASN16454888
Asinex Building Blocks: BAS16454888
Innovapharm Building Blocks: BBS-00008318
Matrix Scientific: 021566...21 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.33,-112.37,4,4,2, 265.401, 5
mid: mol2, SDF, SMILES, flexibase
1.00,1.95,-41.89,3,4,1, 264.393, 5

Similar to: 32087117, 32087119, 36170766, 36170767, 36775658, ... 24 in total.
19201120
 
#12

AKOS: AKOS000149786
Asinex: ASN16454888
Asinex Building Blocks: BAS16454888
Innovapharm Building Blocks: BBS-00008318
Matrix Scientific: 021566...21 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.94,-100.53,4,4,2, 265.401, 5
mid: mol2, SDF, SMILES, flexibase
1.00,2.55,-40.6,3,4,1, 264.393, 5

Similar to: 32087117, 32087119, 36170766, 36170767, 36775658, ... 24 in total.
32522381
 
#13

eMolecules: 5769792
AKOS: AKOS000149281
Asinex: ASN16454886
Asinex Building Blocks: BAS16454886
Innovapharm: STT-00286466...24 total

ref: mol2, SDF, SMILES, flexibase
1.89,6.52,-116.02,4,3,2, 250.386, 4
hi: mol2, SDF, SMILES, flexibase
1.89,5.13,-38.89,3,3,1, 249.378, 4
hi: mol2, SDF, SMILES, flexibase
1.89,6.06,-26.6,3,3,1, 249.378, 4

Similar to: 36783335, 36783336, 36783347, 36783348, 36783417, ... 18 in total.
32522383
 
#14

eMolecules: 5769792
AKOS: AKOS000149281
Asinex: ASN16454886
Asinex Building Blocks: BAS16454886
Innovapharm: STT-00286466...24 total

ref: mol2, SDF, SMILES, flexibase
1.89,6.49,-115.58,4,3,2, 250.386, 4
hi: mol2, SDF, SMILES, flexibase
1.89,5.1,-38.4,3,3,1, 249.378, 4
hi: mol2, SDF, SMILES, flexibase
1.89,6.39,-27.09,3,3,1, 249.378, 4

Similar to: 36783335, 36783336, 36783347, 36783348, 36783417, ... 16 in total.
32522380
 
#15

AK Scientific: 2139AF
AKOS: AKOS000160005
Aldrich CPR: CDS012144|ALDRICH
Enamine Building Blocks: EN300-51985
Innovapharm: STT-00286465...26 total

ref: mol2, SDF, SMILES, flexibase
1.88,6.8,-117.37,4,2,2, 220.36, 3
hi: mol2, SDF, SMILES, flexibase
1.88,4.66,-44.11,3,2,1, 219.352, 3
hi: mol2, SDF, SMILES, flexibase
1.88,6.46,-32.13,3,2,1, 219.352, 3

Similar to: 34651167, 34938042, 34938043, 34938070, 34938071, ... 24 in total.
32522378
 
#16

AK Scientific: 2139AF
AKOS: AKOS000160005
Aldrich CPR: CDS012144|ALDRICH
Enamine Building Blocks: EN300-51985
Innovapharm: STT-00286465...27 total

ref: mol2, SDF, SMILES, flexibase
1.88,6.82,-117.01,4,2,2, 220.36, 3
hi: mol2, SDF, SMILES, flexibase
1.88,4.66,-44.15,3,2,1, 219.352, 3
hi: mol2, SDF, SMILES, flexibase
1.88,7.09,-28.26,3,2,1, 219.352, 3

Similar to: 34651167, 34938042, 34938043, 34938070, 34938071, ... 24 in total.
19201116
 
#17

AKOS: AKOS000156133
Asinex: ASN16454882
Asinex Building Blocks: BAS16454882
Innovapharm: STT-00286464
Innovapharm Building Blocks: BBS-00008310...22 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.96,-115.35,4,3,2, 235.375, 4
mid: mol2, SDF, SMILES, flexibase
1.00,2.59,-46.1,3,3,1, 234.367, 4

Similar to: 36170681, 36170682, 36984025, 36984026, 37079765, ... 18 in total.
19201113
 
#18

AKOS: AKOS000156133
Asinex: ASN16454882
Asinex Building Blocks: BAS16454882
Innovapharm: STT-00286464
Innovapharm Building Blocks: BBS-00008310...22 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.98,-115.7,4,3,2, 235.375, 4
mid: mol2, SDF, SMILES, flexibase
1.00,2.6,-46.24,3,3,1, 234.367, 4

Similar to: 32087008, 32087010, 36170681, 36170682, 36984025, ... 19 in total.
32445531
 
#19

Molport: MolPort-003-761-555
AKOS: AKOS000137631
Aldrich CPR: CDS005616|ALDRICH
Ark Pharm Building Blocks: AK118492
Chembo Pharma: KB-223083...21 total

ref: mol2, SDF, SMILES, flexibase
2.33,7.49,-117.63,4,2,2, 234.387, 3
hi: mol2, SDF, SMILES, flexibase
2.33,5.36,-43.99,3,2,1, 233.379, 3
hi: mol2, SDF, SMILES, flexibase
2.33,7.15,-31.91,3,2,1, 233.379, 3

Similar to: 34938042, 34938043, 34938070, 34938071, 36786809, ... 37 in total.
32445532
 
#20

Molport: MolPort-003-761-555
AKOS: AKOS000137631
Aldrich CPR: CDS005616|ALDRICH
Ark Pharm Building Blocks: AK118492
Chembo Pharma: KB-223083...21 total

ref: mol2, SDF, SMILES, flexibase
2.33,7.48,-117.86,4,2,2, 234.387, 3
hi: mol2, SDF, SMILES, flexibase
2.33,5.33,-44.09,3,2,1, 233.379, 3
hi: mol2, SDF, SMILES, flexibase
2.33,7.77,-28.25,3,2,1, 233.379, 3

Similar to: 34938042, 34938043, 34938070, 34938071, 36786809, ... 37 in total.
19201107
 
#21

AKOS: AKOS000149125
Asinex: ASN16454879
Asinex Building Blocks: BAS16454879
Innovapharm: STT-00286462
Innovapharm Building Blocks: BBS-00008308...24 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.84,-97.87,4,3,2, 235.375, 3
mid: mol2, SDF, SMILES, flexibase
1.07,2.37,-44.94,3,3,1, 234.367, 3

Similar to: 32086693, 32086695, 32087008, 32087010, 36170747, ... 32 in total.
19201110
 
#22

AKOS: AKOS000149125
Asinex: ASN16454879
Asinex Building Blocks: BAS16454879
Innovapharm: STT-00286462
Innovapharm Building Blocks: BBS-00008308...24 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.83,-97.53,4,3,2, 235.375, 3
mid: mol2, SDF, SMILES, flexibase
1.07,2.37,-44.84,3,3,1, 234.367, 3

Similar to: 32086693, 32086695, 32087008, 32087010, 36170747, ... 32 in total.
19702533
 
#23

eMolecules: 13081295
Molport: MolPort-003-761-551
AKOS: AKOS000147092
IBScreen: STOCK6S-60518
IBScreen BuildingBlocks: BB_SC-05242...20 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.71,-109.39,4,4,2, 251.374, 4
mid: mol2, SDF, SMILES, flexibase
0.68,1.24,-48.15,3,4,1, 250.366, 4

Similar to: 32087139, 32087142, 32087411, 32087415, 32089291, ... 12 in total.
19702535
 
#24

eMolecules: 13081295
Molport: MolPort-003-761-551
AKOS: AKOS000147092
IBScreen: STOCK6S-60518
IBScreen BuildingBlocks: BB_SC-05242...20 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.5,-100.87,4,4,2, 251.374, 4
mid: mol2, SDF, SMILES, flexibase
0.68,1.02,-47.19,3,4,1, 250.366, 4

Similar to: 32087139, 32087142, 32087411, 32087415, 32089291, ... 12 in total.
32522373
 
#25

eMolecules: 5769784
AKOS: AKOS000150845
Asinex: ASN16454870
Asinex Building Blocks: BAS16454870
Innovapharm: STT-00286461...25 total

ref: mol2, SDF, SMILES, flexibase
1.93,6.1,-121.73,4,3,2, 250.386, 4
hi: mol2, SDF, SMILES, flexibase
1.93,5.76,-34.82,3,3,1, 249.378, 4

Similar to: 36783317, 36783318, 36783349, 36783350, 36786787, ... 26 in total.
32522374
 
#26

eMolecules: 5769784
AKOS: AKOS000150845
Asinex: ASN16454870
Asinex Building Blocks: BAS16454870
Innovapharm: STT-00286461...25 total

ref: mol2, SDF, SMILES, flexibase
1.93,6.12,-121.37,4,3,2, 250.386, 4
hi: mol2, SDF, SMILES, flexibase
1.93,6.38,-30.94,3,3,1, 249.378, 4

Similar to: 36783317, 36783318, 36783349, 36783350, 36786787, ... 26 in total.
38860368
 
#27

AKOS: AKOS000149169
Innovapharm Building Blocks: BBS-00015844
Matrix Scientific: 021560
Mcule: MCULE-7023841950
Molport BB: MolPort-000-137-357...17 total

ref: mol2, SDF, SMILES, flexibase
1.93,3.59,-42.57,3,2,1, 207.341, 5

Similar to: 42899153, 42899155, 42906349, 42906352, ... 92 in total.
19735750
 
#28

eMolecules: 5769778
AK Scientific: 2122AF
AKOS: AKOS000138247
Aldrich CPR: CBR00265|ALDRICH
Ark Pharm Building Blocks: AK118670...37 total

ref: mol2, SDF, SMILES, flexibase
1.18,2.96,-40.97,3,2,1, 179.287, 3

Similar to: 22169866, 22169869,
19735751
 
#29

eMolecules: 5769778
AK Scientific: 2122AF
AKOS: AKOS000138247
Aldrich CPR: CBR00265|ALDRICH
Ark Pharm Building Blocks: AK118670...37 total

ref: mol2, SDF, SMILES, flexibase
1.18,2.88,-42,3,2,1, 179.287, 3

Similar to: 22169866, 22169869,
32497097
 
#30

eMolecules: 1532066
AK Scientific: 0684AF
AKOS: AKOS000200301
Asinex: BAS11719850
Asinex Building Blocks: BAS11719850...38 total

ref: mol2, SDF, SMILES, flexibase
0.38,1.31,-48.71,3,4,1, 225.312, 5

Similar to: 34477145, 34477146, 37081867, 37081868, ... 4 in total.
32497098
 
#31

eMolecules: 1532066
AK Scientific: 0684AF
AKOS: AKOS000200301
Asinex: BAS11719850
Asinex Building Blocks: BAS11719850...38 total

ref: mol2, SDF, SMILES, flexibase
0.38,1.6,-49.85,3,4,1, 225.312, 5

Similar to: 34477145, 34477146,
19201087
 
#32

eMolecules: 6257049
AK Scientific: 2748AF
AKOS: AKOS000141201
Asinex: ASN16454723
Asinex Building Blocks: BAS16454723...28 total

ref: mol2, SDF, SMILES, flexibase
0.58,1.41,-43.2,3,4,1, 237.323, 4

Similar to: 36769410, 36769411, 36879505,
19201083
 
#33

eMolecules: 6257049
AK Scientific: 2748AF
AKOS: AKOS000141201
Asinex: ASN16454723
Asinex Building Blocks: BAS16454723...28 total

ref: mol2, SDF, SMILES, flexibase
0.58,1.42,-43.21,3,4,1, 237.323, 4

Similar to: 36769410, 36769411, 36879505,
19261428
 
#34

AKOS: AKOS000149098
Aldrich CPR: CDS007212|ALDRICH
Chembo Pharma: KB-14004, KB-87649
Enamine Building Blocks: EN300-33561
Fluorochem: 306528...32 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.35,-43.16,3,3,1, 241.742, 3

Similar to: 21809529, 21809531, 21809533, 21809535, 21812366, ... 14 in total.
19261426
 
#35

AKOS: AKOS000149098
Aldrich CPR: CDS007212|ALDRICH
Chembo Pharma: KB-14004, KB-87649
Enamine Building Blocks: EN300-33561
Fluorochem: 306528...32 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.37,-43.02,3,3,1, 241.742, 3

Similar to: 21809529, 21809531, 21809533, 21809535, 21812366, ... 14 in total.
19581467
 
#36

eMolecules: 46218781
Molport: MolPort-001-760-144
AK Scientific: V7783
AKOS: AKOS000200298
Asinex Building Blocks: BAS09615081...43 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.75,-40.11,3,2,1, 199.705, 3

Similar to: 37081869, 37081870, 37081977, 37081978, 37081998, ... 5 in total.
19581465
 
#37

eMolecules: 46218781
Molport: MolPort-001-760-144
AK Scientific: V7783
AKOS: AKOS000200298
Asinex Building Blocks: BAS09615081...43 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.7,-40.58,3,2,1, 199.705, 3

Similar to: 37081869, 37081870, 37081977, 37081978, 37081998, ... 5 in total.
19272595
 
#38

eMolecules: 846365, 17095061
Molport: MolPort-002-344-320, MolPort-000-889-123
Scientific Exchange (make on demand): F-441467
AK Scientific: 9971AD
AKOS: AKOS000153138...59 total

ref: mol2, SDF, SMILES, flexibase
0.57,2.03,-46.89,3,3,1, 207.297, 3

Similar to: 34958882, 36874707, 36875289, 36879607, 36879609, ... 5 in total.
19272592
 
#39

eMolecules: 846365, 17095061
Molport: MolPort-002-344-320, MolPort-000-889-123
Scientific Exchange (make on demand): F-441467
AK Scientific: 9971AD
AKOS: AKOS000153138...59 total

ref: mol2, SDF, SMILES, flexibase
0.57,1.96,-47.06,3,3,1, 207.297, 3

Similar to: 34958882, 36874707, 36875289, 36879607, 36879609, ... 5 in total.
19342948
 
#40

AKOS: AKOS000144864
Innovapharm Building Blocks: BBS-00015849
Mcule: MCULE-7658458713
Molport BB: MolPort-003-761-545
Zylexa Pharma BB: ZP-BB-TV005632...17 total

ref: mol2, SDF, SMILES, flexibase
1.54,3.13,-47.94,3,2,1, 211.354, 3
mid: mol2, SDF, SMILES, flexibase
1.54,4.97,-29.92,3,2,1, 211.354, 3
lo: mol2, SDF, SMILES, flexibase
1.54,5.32,-120.6,4,2,2, 212.362, 3
19342945
 
#41

AKOS: AKOS000144864
Innovapharm Building Blocks: BBS-00015849
Mcule: MCULE-7658458713
Molport BB: MolPort-003-761-545
Zylexa Pharma BB: ZP-BB-TV005632...17 total

ref: mol2, SDF, SMILES, flexibase
1.54,3.09,-44.17,3,2,1, 211.354, 3
mid: mol2, SDF, SMILES, flexibase
1.54,4.56,-27.55,3,2,1, 211.354, 3
lo: mol2, SDF, SMILES, flexibase
1.54,5.31,-112.84,4,2,2, 212.362, 3
19735775
 
#42

eMolecules: 2863445
Molport: MolPort-002-467-357
AK Scientific: 4293AD
AKOS: AKOS000263346
Enamine Building Blocks: EN300-10763...27 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.52,-43.56,3,2,1, 197.327, 3
mid: mol2, SDF, SMILES, flexibase
1.03,4.19,-30.02,3,2,1, 197.327, 3
hi: mol2, SDF, SMILES, flexibase
1.03,2.19,-2.03,2,2,0, 196.319, 3

Similar to: 34963624, 34963626, 36783369, 36783370, 36783491, ... 38 in total.
19735774
 
#43

eMolecules: 2863445
Molport: MolPort-002-467-357
AK Scientific: 4293AD
AKOS: AKOS000263346
Enamine Building Blocks: EN300-10763...27 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.48,-43.17,3,2,1, 197.327, 3
mid: mol2, SDF, SMILES, flexibase
1.03,4.98,-26.76,3,2,1, 197.327, 3
hi: mol2, SDF, SMILES, flexibase
1.03,2.3,-2.39,2,2,0, 196.319, 3

Similar to: 26513917, 26513919, 34963624, 34963626, 36783369, ... 39 in total.
19795689
 
#44

Molport: MolPort-003-761-544
AKOS: AKOS000140276
Innovapharm Building Blocks: BBS-00015847
Mcule: MCULE-8270987939
Molport BB: MolPort-003-761-544...16 total

ref: mol2, SDF, SMILES, flexibase
1.38,2.88,-45.29,3,2,1, 199.343, 5
mid: mol2, SDF, SMILES, flexibase
1.38,4.11,-28.2,3,2,1, 199.343, 5
hi: mol2, SDF, SMILES, flexibase
1.38,2.65,-2.12,2,2,0, 198.335, 5

Similar to: 36786839, 36786840, 36984031, 36984032, 37078442, ... 27 in total.
19795687
 
#45

Molport: MolPort-003-761-544
AKOS: AKOS000140276
Innovapharm Building Blocks: BBS-00015847
Mcule: MCULE-8270987939
Molport BB: MolPort-003-761-544...15 total

ref: mol2, SDF, SMILES, flexibase
1.38,2.78,-42.41,3,2,1, 199.343, 5
mid: mol2, SDF, SMILES, flexibase
1.38,4.87,-26,3,2,1, 199.343, 5
hi: mol2, SDF, SMILES, flexibase
1.38,2.09,-1.91,2,2,0, 198.335, 5

Similar to: 36786839, 36786840, 36984031, 36984032, 37078442, ... 17 in total.
19795685
 
#46

Innovapharm Building Blocks: BBS-00008316
Mcule: MCULE-5377230501
Molport BB: MolPort-000-679-804
Otava: 7020410241
Zylexa Pharma BB: ZP-BB-TV005628...14 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.54,-46.48,3,3,1, 209.313, 5

Similar to: 26510515, 26510518, 32088814, 32088818, 37078726, ... 7 in total.
19795684
 
#47

Innovapharm Building Blocks: BBS-00008316
Mcule: MCULE-5377230501
Molport BB: MolPort-000-679-804
Otava: 7020410241
Zylexa Pharma BB: ZP-BB-TV005628...14 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.47,-44.08,3,3,1, 209.313, 5

Similar to: 26510515, 26510518, 32087417, 32087420, 32088814, ... 9 in total.
19201071
 
#48

AK Scientific: 1041AF
AKOS: AKOS000149631
Aldrich CPR: CDS002673|ALDRICH
Asinex: ASN16454693
Asinex Building Blocks: BAS16454693...30 total

ref: mol2, SDF, SMILES, flexibase
1.25,2.56,-50.58,3,3,1, 241.742, 3

Similar to: 21809529, 21809531, 21809533, 21809535, 42944213, ... 8 in total.
19201067
 
#49

AK Scientific: 1041AF
AKOS: AKOS000149631
Aldrich CPR: CDS002673|ALDRICH
Asinex: ASN16454693
Asinex Building Blocks: BAS16454693...30 total

ref: mol2, SDF, SMILES, flexibase
1.25,2.25,-51,3,3,1, 241.742, 3

Similar to: 21809529, 21809531, 21809533, 21809535, 42944213, ... 8 in total.
19255451
 
#50

Molport: MolPort-002-678-872
AKOS: AKOS000146969
Asinex: BAS10144260
Enamine: Z228574062
Enamine Building Blocks: EN300-97274...20 total

ref: mol2, SDF, SMILES, flexibase
1.41,2.63,-45,3,2,1, 199.705, 3

Similar to: 42944577, 42944579, 42944581, 42944583, ... 4 in total.
19255449
 
#51

Molport: MolPort-002-678-872
AKOS: AKOS000146969
Asinex: BAS10144260
Enamine: Z228574062
Enamine Building Blocks: EN300-97274...20 total

ref: mol2, SDF, SMILES, flexibase
1.41,2.91,-46.62,3,2,1, 199.705, 3

Similar to: 42944577, 42944579, 42944581, 42944583, ... 4 in total.
32509081
 
#52

eMolecules: 29380838, 1539424
Molport: MolPort-027-838-069, MolPort-019-837-867
AK Scientific: 9974AD
AKOS: AKOS000263663
Asinex: BAS12540205...50 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.39,-46.86,3,3,1, 235.351, 4
hi: mol2, SDF, SMILES, flexibase
1.69,5.15,-33.82,3,3,1, 235.351, 4

Similar to: 36783317, 36783318, 36783349, 36783350, 36786787, ... 54 in total.
32509080
 
#53

eMolecules: 29380838, 1539424
Molport: MolPort-019-837-867, MolPort-027-838-069
AK Scientific: 9974AD
AKOS: AKOS000263663
Asinex: BAS12540205...51 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.62,-45.4,3,3,1, 235.351, 4
hi: mol2, SDF, SMILES, flexibase
1.69,5.78,-30.27,3,3,1, 235.351, 4

Similar to: 36783317, 36783318, 36783349, 36783350, 36786787, ... 52 in total.
19201079
 
#54

eMolecules: 4363375
Molport: MolPort-000-003-659
AK Scientific: 9973AD
AKOS: AKOS000137602
Asinex: ASN16454698...31 total

ref: mol2, SDF, SMILES, flexibase
1.01,2.07,-48.37,3,4,1, 251.35, 5

Similar to: 26510515, 26510518, 32086853, 32086855, 32088779, ... 10 in total.
19201075
 
#55

eMolecules: 4363375
Molport: MolPort-000-003-659
AK Scientific: 9973AD
AKOS: AKOS000137602
Asinex: ASN16454698...31 total

ref: mol2, SDF, SMILES, flexibase
1.01,2.02,-49.73,3,4,1, 251.35, 5

Similar to: 26510515, 26510518, 32086853, 32086855, 32088779, ... 8 in total.
19201138
 
#56

eMolecules: 4363377
AKOS: AKOS000138319
Aldrich CPR: CDS001671|ALDRICH
Asinex: ASN16454899
Asinex Building Blocks: BAS16454899...28 total

ref: mol2, SDF, SMILES, flexibase
1.14,4.96,-113.69,4,3,2, 210.321, 3
mid: mol2, SDF, SMILES, flexibase
1.14,4.61,-31.66,3,3,1, 209.313, 3

Similar to: 34958027, 34958028, 36783375, 36786845, 36786846, ... 13 in total.
19201134
 
#57

eMolecules: 4363377
AKOS: AKOS000138319
Aldrich CPR: CDS001671|ALDRICH
Asinex: ASN16454899
Asinex Building Blocks: BAS16454899...28 total

ref: mol2, SDF, SMILES, flexibase
1.14,5.05,-122.78,4,3,2, 210.321, 3
mid: mol2, SDF, SMILES, flexibase
1.14,4.6,-28,3,3,1, 209.313, 3

Similar to: 34958027, 34958028, 36783375, 36786845, 36786846, ... 14 in total.
7952089
 
#58

eMolecules: 1885037
AKOS: AKOS000274361
IBScreen: STOCK6S-20962
IBScreen BuildingBlocks: BB_SC-04106
Innovapharm: STT-00293805...23 total

ref: mol2, SDF, SMILES, flexibase
2.07,-3.86,-65.28,0,6,-1, 339.78, 3

Similar to: 7952087,
7952087
 
#59

eMolecules: 1885037
AKOS: AKOS000274361
IBScreen: STOCK6S-20962
IBScreen BuildingBlocks: BB_SC-04106
Innovapharm: STT-00293805...23 total

ref: mol2, SDF, SMILES, flexibase
2.07,-3.87,-62.87,0,6,-1, 339.78, 3

Similar to: 7952089,
210781
 
#60

eMolecules: 1885045
Scientific Exchange (make on demand): M-000471
AKOS: AKOS000274347
ChemBridge: 7355778
ChemDiv: 5826-0282...39 total

ref: mol2, SDF, SMILES, flexibase
3.06,1.11,-43.74,0,5,-1, 260.269, 4

Similar to: 34419811, 44659651,
158956
 
#61

ChemMol: 30202979
eMolecules: 720580
Acros Organics: CC21901
AK Scientific: Y9622
AKOS: AKOS000103631...67 total

ref: mol2, SDF, SMILES, flexibase
2.29,7.83,-49.41,0,3,-1, 186.19, 2
257733
 
#62

eMolecules: 1014688
Scientific Exchange (make on demand): X-020900
AK Scientific: 4713AE
AKOS: AKOS000122777
Aldrich CPR: CDS002285|ALDRICH...56 total

ref: mol2, SDF, SMILES, flexibase
1.19,6.17,-67.03,0,4,-1, 204.205, 2
7952065
 
#63

AKOS: AKOS000272421
Innovapharm: STT-00286404
Innovapharm Building Blocks: BBS-00009695
Mcule: MCULE-7377840130
Molport BB: MolPort-000-679-790...14 total

ref: mol2, SDF, SMILES, flexibase
2.57,-0.38,-53.74,0,5,-1, 270.312, 2
19702321
 
#64

eMolecules: 1885051
Molport: MolPort-000-001-142
AKOS: AKOS000141980
Asinex: BAS16454900
Asinex Building Blocks: BAS16454900...37 total

ref: mol2, SDF, SMILES, flexibase
1.40,3.59,-44.95,3,3,1, 209.313, 3
mid: mol2, SDF, SMILES, flexibase
1.40,4.7,-28.89,3,3,1, 209.313, 3

Similar to: 34958027, 34958028, 36786845, 36786846, 36874703, ... 12 in total.
19702319
 
#65

eMolecules: 1885051
Molport: MolPort-000-001-142
AKOS: AKOS000141980
Asinex: BAS16454900
Asinex Building Blocks: BAS16454900...37 total

ref: mol2, SDF, SMILES, flexibase
1.40,3.48,-44.92,3,3,1, 209.313, 3
mid: mol2, SDF, SMILES, flexibase
1.40,4.61,-28.23,3,3,1, 209.313, 3

Similar to: 34958027, 34958028, 36783375, 36874703, 37083024, ... 11 in total.
19230091
 
#66

eMolecules: 1539442
Molport: MolPort-000-003-866
AK Scientific: 9792AE
AKOS: AKOS000274368
Aldrich CPR: CDS010021|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
0.39,1.22,-42.99,3,3,1, 181.259, 3
mid: mol2, SDF, SMILES, flexibase
0.39,3.29,-30.86,3,3,1, 181.259, 3

Similar to: 34958027, 34958028, 36783327, 36783328, 36783375, ... 22 in total.
19230089
 
#67

eMolecules: 1539442
Molport: MolPort-000-003-866
AK Scientific: 9792AE
AKOS: AKOS000274368
Aldrich CPR: CDS010021|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
0.39,1.59,-43.83,3,3,1, 181.259, 3
mid: mol2, SDF, SMILES, flexibase
0.39,3.97,-27.38,3,3,1, 181.259, 3

Similar to: 34958027, 34958028, 36783327, 36783328, 36783375, ... 24 in total.
19702313
 
#68

eMolecules: 1885032
Molport: MolPort-000-003-417
AKOS: AKOS000200253
Aldrich CPR: CDS007149|ALDRICH
Ark Pharm Building Blocks: AK121209...38 total

ref: mol2, SDF, SMILES, flexibase
0.63,1.26,-41.75,3,2,1, 171.289, 3
mid: mol2, SDF, SMILES, flexibase
0.63,2.75,-29.49,3,2,1, 171.289, 3
hi: mol2, SDF, SMILES, flexibase
0.63,0.93,-2.55,2,2,0, 170.281, 3
19702311
 
#69

eMolecules: 1885032
Molport: MolPort-000-003-417
AKOS: AKOS000200253
Aldrich CPR: CDS007149|ALDRICH
Ark Pharm Building Blocks: AK121209...38 total

ref: mol2, SDF, SMILES, flexibase
0.63,1.04,-42.34,3,2,1, 171.289, 3
mid: mol2, SDF, SMILES, flexibase
0.63,3.07,-32.6,3,2,1, 171.289, 3
hi: mol2, SDF, SMILES, flexibase
0.63,0.65,-1.96,2,2,0, 170.281, 3
19398872
 
#70

eMolecules: 1885049
AK Scientific: 0530AD
AKOS: AKOS000163120, AKOS015845290
Aldrich CPR: CDS007147|ALDRICH
Fluorochem: 306281...40 total

ref: mol2, SDF, SMILES, flexibase
0.62,4.39,-115.32,4,3,2, 221.348, 3
mid: mol2, SDF, SMILES, flexibase
0.62,1.92,-46.12,3,3,1, 220.34, 3

Similar to: 36170681, 36170682, 36984025, 36984026, 37081821, ... 11 in total.
19398870
 
#71

eMolecules: 1885049
AK Scientific: 0530AD
AKOS: AKOS000163120, AKOS015845290
Aldrich CPR: CDS007147|ALDRICH
Fluorochem: 306281...40 total

ref: mol2, SDF, SMILES, flexibase
0.62,4.39,-115.72,4,3,2, 221.348, 3
mid: mol2, SDF, SMILES, flexibase
0.62,1.92,-46.06,3,3,1, 220.34, 3

Similar to: 36170681, 36170682, 36984025, 36984026, 37079765, ... 19 in total.
480089
 
#72

eMolecules: 905799
Scientific Exchange (make on demand): F-262462
AK Scientific: 4341AE
AKOS: AKOS000274354
Aldrich CPR: CDS006426|ALDRICH...54 total

ref: mol2, SDF, SMILES, flexibase
2.28,6.33,-40.93,0,4,-1, 223.591, 1

Similar to: 4254398, 38255426, 39284119,
7952053
 
#73

eMolecules: 1885041
AKOS: AKOS000274352
ChemBridge: 9153852
IBScreen: STOCK6S-24299
IBScreen BuildingBlocks: BB_SC-04108...26 total

ref: mol2, SDF, SMILES, flexibase
1.71,1.24,-67.99,1,6,0, 276.292, 5

Similar to: 13955223, 32601426, 36747682,
57932
 
#74

eMolecules: 506367
AKOS: AKOS000274359
Alfa-Aesar: H32009
Apexmol Building Blocks: AM81009
Chembo Pharma: KB-199217...41 total

ref: mol2, SDF, SMILES, flexibase
2.41,0.6,-41.87,0,4,-1, 268.042, 1
19702317
 
#75

eMolecules: 1523126
AK Scientific: 1366AF
AKOS: AKOS000136814
Aldrich CPR: CDS002920|ALDRICH
Alinda Building Blocks: ALBB-014851...45 total

ref: mol2, SDF, SMILES, flexibase
-0.17,0.12,-49,3,4,1, 197.258, 3

Similar to: 36769334, 36769420, 36769421, 36874683, ... 4 in total.
19702315
 
#76

eMolecules: 1523126
AK Scientific: 1366AF
AKOS: AKOS000136814
Aldrich CPR: CDS002920|ALDRICH
Alinda Building Blocks: ALBB-014851...45 total

ref: mol2, SDF, SMILES, flexibase
-0.17,0.17,-48.92,3,4,1, 197.258, 3

Similar to: 36769334, 36769420, 36769421, 36874683, ... 4 in total.
19362025
 
#77

eMolecules: 1539422
AK Scientific: 0681AF
AKOS: AKOS000200299
Aldrich CPR: CDS002666|ALDRICH
Ark Pharm Building Blocks: AK118656...45 total

ref: mol2, SDF, SMILES, flexibase
-0.01,0.62,-43.79,3,3,1, 155.221, 3
mid: mol2, SDF, SMILES, flexibase
-0.01,2.78,-123.32,4,3,2, 156.229, 3
mid: mol2, SDF, SMILES, flexibase
-0.01,2.13,-29.49,3,3,1, 155.221, 3
19362026
 
#78

eMolecules: 1539422
AK Scientific: 0681AF
AKOS: AKOS000200299
Aldrich CPR: CDS002666|ALDRICH
Ark Pharm Building Blocks: AK118656...45 total

ref: mol2, SDF, SMILES, flexibase
-0.01,0.58,-43.87,3,3,1, 155.221, 3
mid: mol2, SDF, SMILES, flexibase
-0.01,2.75,-123.42,4,3,2, 156.229, 3
mid: mol2, SDF, SMILES, flexibase
-0.01,2.13,-33.29,3,3,1, 155.221, 3
257699
 
#79

eMolecules: 631761
Scientific Exchange (make on demand): X-020931
AK Scientific: V5498
AKOS: AKOS000199651
Aldrich CPR: R434620|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
1.21,6.17,-55.95,0,4,-1, 204.205, 2
292605
 
#80

eMolecules: 1280990
Scientific Exchange (make on demand): X-011592
AKOS: AKOS000272425
Ark Pharm Building Blocks: AK-98059
ChemBridge BuildingBlocks: 5760938...38 total

ref: mol2, SDF, SMILES, flexibase
1.77,-0.04,-46.74,0,6,-1, 281.247, 3
6703552
 
#81

eMolecules: 1885043
Scientific Exchange (make on demand): M-880614
AKOS: AKOS000272424
Aldrich CPR: OTV000259|ALDRICH
ChemBridge: 9027172...30 total

ref: mol2, SDF, SMILES, flexibase
1.84,-0.2,-46.59,0,6,-1, 281.247, 3

Similar to: 36778479, 4914321,
461312
 
#82

eMolecules: 838236
Scientific Exchange (make on demand): M-162424
AKOS: AKOS000117832
Ark Pharm Building Blocks: AK108485
Chembo Pharma: KB-221025...44 total

ref: mol2, SDF, SMILES, flexibase
2.26,6.45,-45.45,0,6,-1, 270.22, 3
159033
 
#83

eMolecules: 501801
ACB Blocks: PYR-0424
AK Scientific: 7563AD
AKOS: AKOS000103580
Alfa-Aesar: H51073...68 total

ref: mol2, SDF, SMILES, flexibase
2.11,1.96,-47.66,0,3,-1, 186.19, 2

Similar to: 34430370,
19362033
 
#84

eMolecules: 1012751
Molport: MolPort-000-850-593
AKOS: AKOS000263435
Asinex Building Blocks: BAS09615089
BioBlocks: A3852/0163602...53 total

ref: mol2, SDF, SMILES, flexibase
0.63,1.36,-49.65,3,4,1, 237.323, 4

Similar to: 26510515, 26510518, 32088883, 32088887, 34591100, ... 9 in total.
19362034
 
#85

eMolecules: 1012751
Molport: MolPort-000-850-593
AKOS: AKOS000263435
Asinex Building Blocks: BAS09615089
BioBlocks: A3852/0163602...53 total

ref: mol2, SDF, SMILES, flexibase
0.63,1.04,-50.29,3,4,1, 237.323, 4

Similar to: 26510515, 26510518, 32086853, 32086855, 32088883, ... 11 in total.
153007
 
#86

ChemMol: 44030316, 97800896
eMolecules: 723606
Scientific Exchange (make on demand): H-095624
Acros Organics: BTB07054
AK Scientific: Y8525...79 total

ref: mol2, SDF, SMILES, flexibase
-1.02,-2.49,-41.67,1,5,-1, 141.106, 1

Similar to: 34568551,
1087916
 
#87

ChemMol: 96705994, 44014266, 30113421, 97802950
eMolecules: 838055, 7505707
Scientific Exchange (make on demand): H-095710
Acros Organics: BTB07063
AK Scientific: X0303...130 total

ref: mol2, SDF, SMILES, flexibase
-0.50,-0.41,-41.49,1,5,-1, 139.09, 1
19365717
 
#88

ChemMol: 96709387, 2000792
eMolecules: 1532064, 46474350
Molport: MolPort-000-002-802
Scientific Exchange: F-250015
AK Scientific: W6198...65 total

ref: mol2, SDF, SMILES, flexibase
2.03,5.37,-119.56,4,2,2, 198.354, 2
mid: mol2, SDF, SMILES, flexibase
2.03,3.49,-42.8,3,2,1, 197.346, 2

Similar to: 21790119, 21790457, 21791688, 21793280, 21817103, ... 152 in total.
19702166
 
#89

eMolecules: 887623
Molport: MolPort-000-004-908
Scientific Exchange (make on demand): F-315278
A&J Pharmtech: AJ-02518
AK Scientific: Y6090...58 total

ref: mol2, SDF, SMILES, flexibase
-0.20,-0.55,-43.75,3,3,1, 159.253, 2
206157
 
#90

eMolecules: 2574138
AKOS: AKOS000272453
Alinda Building Blocks: ALBB-028290
Chembo Pharma: KB-13700
Enamine Building Blocks: EN300-09325...44 total

ref: mol2, SDF, SMILES, flexibase
0.33,5.36,-66.26,0,6,-1, 189.154, 2

Similar to: 34531116,
3883929
 
#91

eMolecules: 2854147
Scientific Exchange (make on demand): F-315422
AK Scientific: V6350
AKOS: AKOS000122096
Alinda: IVK/0064570...62 total

ref: mol2, SDF, SMILES, flexibase
1.91,5.53,-46.63,2,2,1, 219.333, 1

Similar to: 31887430, 31887434, 31887436, 31887439, 31887443, ... 15 in total.
4992655
 
#92

eMolecules: 833873, 24825203
Molport: MolPort-008-382-924
Scientific Exchange (make on demand): M-049640
ACB Blocks: MIX-0987
AK Scientific: W5915...89 total

ref: mol2, SDF, SMILES, flexibase
1.34,4.72,-50.07,3,3,1, 202.281, 1
360746
 
#93

eMolecules: 1060585
Scientific Exchange (make on demand): POD_47/0393
AKOS: AKOS000117165
Alinda Building Blocks: ALBB-010602
Ark Pharm Building Blocks: AK-55756...47 total

ref: mol2, SDF, SMILES, flexibase
2.85,1.72,-42.14,0,5,-1, 284.222, 2

Similar to: 8096931, 14467390, 25793733,
252257
 
#94

ChemMol: 42303968, 44033860
eMolecules: 833869
Scientific Exchange (make on demand): F-315423
AK Scientific: W6659
AKOS: AKOS000270512...73 total

ref: mol2, SDF, SMILES, flexibase
1.78,3.03,-45.74,2,3,1, 203.265, 1

Similar to: 34974018,
246253
 
#95

eMolecules: 1163485
AKOS: AKOS000114712
Asinex: BAS00116708
BioBlocks: A2262/0095273
Chembo Pharma: KB-123460...30 total

ref: mol2, SDF, SMILES, flexibase
1.27,-5.23,-52.53,0,6,-1, 304.731, 3

Similar to: 37837118, 37837119, 37837624, 37837625, ... 4 in total.
19362023
 
#96

eMolecules: 887629
Molport: MolPort-000-002-805
Scientific Exchange Building Blocks: F-415563
AK Scientific: W7602
AKOS: AKOS000201543...58 total

ref: mol2, SDF, SMILES, flexibase
0.97,1.1,-45.84,3,3,1, 199.318, 2
lo: mol2, SDF, SMILES, flexibase
0.97,3.03,-123.84,4,3,2, 200.326, 2

Similar to: 26480684, 26480691, 42458582, 42458740, 42458778, ... 6 in total.
2534014
 
#97

eMolecules: 704140, 32192177, 710082
Molport: MolPort-008-160-356, MolPort-001-988-425
Scientific Exchange (make on demand): F-337721
ACB Blocks: C5A-0173
AK Scientific: Z6556...90 total

ref: mol2, SDF, SMILES, flexibase
2.25,-2.73,-37.27,2,2,1, 205.306, 1

Similar to: 4219231, 4219232, 4219233, 4219234, 36882400, ... 10 in total.
2649891
 
#98

eMolecules: 710082, 704140
Molport: MolPort-001-988-425
Scientific Exchange (make on demand): F-337721
ACB Blocks: C5A-0173
AK Scientific: Z6556...88 total

ref: mol2, SDF, SMILES, flexibase
2.25,-2.7,-39.09,2,2,1, 205.306, 1

Similar to: 4219231, 4219232, 4219233, 4219234, 36882400, ... 10 in total.
5175393
 
#99

eMolecules: 44596370, 3786937
Molport: MolPort-027-713-948
Acros Organics: CC54613
AK Scientific: 5300AD
AKOS: AKOS000117921...50 total

ref: mol2, SDF, SMILES, flexibase
-0.19,1.15,-43.06,3,2,1, 143.235, 2

Similar to: 32152465, 39134456,
5175392
 
#100

ChemMol: 44031527
eMolecules: 5673965, 10102153
Molport: MolPort-001-794-891
A&J Pharmtech: AJ-02622
AK Scientific: Y6232...64 total

ref: mol2, SDF, SMILES, flexibase
0.52,3.8,-45.57,3,3,1, 162.216, 2
mid: mol2, SDF, SMILES, flexibase
0.52,4.24,-95.18,4,3,2, 163.224, 2

Similar to: 31922165, 31922174, 31935123, 31935143, 31935144, ... 15 in total.

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 = 600 ) limit 0,100

Smiles were