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20285885
 
#1

Aldrich CPR: CVT00027|ALDRICH
CiVentiChem: CV-8051
Enamine Building Blocks: EN300-87193
Molport BB: MolPort-005-312-920
PBMR Labs Building Blocks: RBK_000498...10 total

ref: mol2, SDF, SMILES, flexibase
-0.22,2.68,-46.88,3,2,1, 170.207, 3
hi: mol2, SDF, SMILES, flexibase
-0.22,2.37,-3.74,2,2,0, 169.199, 3

Similar to: 34484666,
20285888
 
#2

Aldrich CPR: CVT00027|ALDRICH
CiVentiChem: CV-8051
Enamine Building Blocks: EN300-87193
Molport BB: MolPort-005-312-920
PBMR Labs Building Blocks: RBK_000498...10 total

ref: mol2, SDF, SMILES, flexibase
-0.22,2.68,-46.89,3,2,1, 170.207, 3
hi: mol2, SDF, SMILES, flexibase
-0.22,2.35,-4.58,2,2,0, 169.199, 3

Similar to: 34484666,
20285792
 
#3

Apexmol Building Blocks: AM806447
CiVentiChem: CV-8050
Enamine Building Blocks: EN300-194343, EN300-87171
Molport BB: MolPort-005-312-896
PBMR Labs Building Blocks: RBK_000497...14 total

ref: mol2, SDF, SMILES, flexibase
-0.28,3.36,-43.32,3,1,1, 140.181, 2
hi: mol2, SDF, SMILES, flexibase
-0.28,3.05,-2.48,2,1,0, 139.173, 2
20285796
 
#4

Apexmol Building Blocks: AM806446
CiVentiChem: CV-8050
Enamine Building Blocks: EN300-87171, EN300-194343
Molport BB: MolPort-005-312-896
PBMR Labs Building Blocks: RBK_000497...13 total

ref: mol2, SDF, SMILES, flexibase
-0.28,3.36,-43.36,3,1,1, 140.181, 2
hi: mol2, SDF, SMILES, flexibase
-0.28,3.03,-3.07,2,1,0, 139.173, 2
20285849
 
#5

Aldrich CPR: CVT00026|ALDRICH
CiVentiChem: CV-8044
Enamine Building Blocks: EN300-87185
Molport BB: MolPort-005-312-913
PBMR Labs Building Blocks: RBK_000499...10 total

ref: mol2, SDF, SMILES, flexibase
-0.11,3.43,-48.92,3,1,1, 158.171, 2
mid: mol2, SDF, SMILES, flexibase
-0.11,3.12,-3.11,2,1,0, 157.163, 2
20285851
 
#6

Aldrich CPR: CVT00026|ALDRICH
CiVentiChem: CV-8044
Enamine Building Blocks: EN300-87185
Molport BB: MolPort-005-312-913
PBMR Labs Building Blocks: RBK_000499...10 total

ref: mol2, SDF, SMILES, flexibase
-0.11,3.43,-48.95,3,1,1, 158.171, 2
mid: mol2, SDF, SMILES, flexibase
-0.11,3.1,-3.88,2,1,0, 157.163, 2
66054556
 
#7

AK Scientific: 3457AA
Aldrich CPR: CVT00019|ALDRICH
Anward: ANW-71021
Ark Pharm Building Blocks: AK104760
BePharm Building Blocks: B238968...18 total

ref: mol2, SDF, SMILES, flexibase
1.79,5.18,-117.1,0,3,-2, 269.094, 2
mid: mol2, SDF, SMILES, flexibase
1.79,4.63,-46.87,1,3,-1, 270.102, 2
66327972
 
#8

Aldrich CPR: CVT00016|ALDRICH
Ark Pharm Building Blocks: AK158580
CiVentiChem: CV-8023
Fluorochem: 304101
Sigma Aldrich (Building Blocks): CVT00016|ALDRICH...12 total

ref: mol2, SDF, SMILES, flexibase
1.66,5.08,-117.11,0,3,-2, 224.643, 2
mid: mol2, SDF, SMILES, flexibase
1.66,4.53,-46.99,1,3,-1, 225.651, 2
66054590
 
#9

Aldrich CPR: CVT00015|ALDRICH
CiVentiChem: CV-8022
Fluorochem: 301130
Sigma Aldrich (Building Blocks): CVT00015|ALDRICH
PubChem: 53402090...8 total

ref: mol2, SDF, SMILES, flexibase
1.94,2.1,-55.61,3,2,0, 242.116, 1
20285892
 
#10

Aldrich CPR: CVT00033|ALDRICH
CiVentiChem: CV-8014
Enamine Building Blocks: EN300-87194
Ryan Scientific BB: 047-68770
Sigma Aldrich (Building Blocks): CVT00033|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
0.51,3.98,-47.74,3,1,1, 219.077, 2
mid: mol2, SDF, SMILES, flexibase
0.51,3.68,-2.35,2,1,0, 218.069, 2
20285894
 
#11

Aldrich CPR: CVT00033|ALDRICH
CiVentiChem: CV-8014
Enamine Building Blocks: EN300-87194
Ryan Scientific BB: 047-68770
Sigma Aldrich (Building Blocks): CVT00033|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
0.51,3.98,-44.98,3,1,1, 219.077, 2
mid: mol2, SDF, SMILES, flexibase
0.51,3.65,-3.17,2,1,0, 218.069, 2
14909845
 
#12

ChemMol: 97802589, 44028614
Acorn PharmaTech: ACN-000019
AK Scientific: W4550
AKOS: AKOS014643088
Angene Building Blocks: AGN-PC-04Q546...36 total

ref: mol2, SDF, SMILES, flexibase
2.84,6.79,-5.08,0,5,0, 274.07, 3
3878060
 
#13

eMolecules: 1239543
Molport: MolPort-001-737-056
AKOS: AKOS000522828
Ark Pharm Building Blocks: AK142589
ChemBridge: 5144062...26 total

ref: mol2, SDF, SMILES, flexibase
1.17,2.84,-14.63,3,7,0, 248.242, 2

Similar to: 34386158, 34386159, 34386160, 34386161, 34386171, ... 6 in total.
3878059
 
#14

eMolecules: 1239543
Molport: MolPort-001-737-056
AKOS: AKOS000522828
Ark Pharm Building Blocks: AK142589
ChemBridge: 5144062...26 total

ref: mol2, SDF, SMILES, flexibase
1.17,2.95,-16.57,3,7,0, 248.242, 2

Similar to: 34386158, 34386159, 34386160, 34386161, 34386171, ... 6 in total.
2570110
 
#15

ChemMol: 96708094, 30112280, 44003260, 44500001, 1035395, 97801566, 30103481
eMolecules: 715127
Molport: MolPort-000-004-243
Acorn PharmaTech: ACN-S004141
Acros Organics: 37765...90 total

ref: mol2, SDF, SMILES, flexibase
0.35,2.07,-55.69,1,3,-1, 110.092, 1
59509693
 
#16

CiVentiChem: CV-7014
PubChem: 20253766
SureChEMBL: SCHEMBL10355419
ref: mol2, SDF, SMILES, flexibase
2.10,6.28,-12.42,1,5,0, 246.266, 5
59509687
 
#17

CiVentiChem: CV-7010
PubChem: 20253755
SureChEMBL: SCHEMBL10355351
ref: mol2, SDF, SMILES, flexibase
2.50,7.65,-11.18,1,4,0, 230.267, 4

Similar to: 38271958, 38422375,
4521108
 
#18

Alfa-Aesar: L10515
Anward: ANW-42518
Apollo Scientific Bioactives: BICL300
CiVentiChem: CV-7003
FineTech: FT-0621926...34 total

ref: mol2, SDF, SMILES, flexibase
1.19,-1.95,-5.34,2,4,0, 172.228, 7

Similar to: 5835207,
160132
 
#19

ChemMol: 44009786, 1035930
AK Scientific: X3090
AKOS: AKOS015835422
Alfa-Aesar: A18670
Angene Building Blocks: AGN-PC-0KK7PO...48 total

ref: mol2, SDF, SMILES, flexibase
2.89,2.34,-4.16,0,3,0, 237.987, 1
18166912
 
#20

ChemMol: 30111524
eMolecules: 838050, 1884992
Molport: MolPort-000-855-737, MolPort-000-886-217
AK Scientific: R337
AKOS: AKOS015921883...67 total

ref: mol2, SDF, SMILES, flexibase
0.43,2.2,-7.98,1,5,0, 127.103, 1
ref: mol2, SDF, SMILES, flexibase
0.43,2.18,-7.34,1,5,0, 127.103, 1
hi: mol2, SDF, SMILES, flexibase
0.43,2.04,-29.61,0,5,-1, 126.095, 1
hi: mol2, SDF, SMILES, flexibase
0.43,2.05,-29.64,0,5,-1, 126.095, 1

Similar to: 26254148,
67802749
 
#21

Molport: MolPort-019-937-851
Apollo Scientific: PC49496
Chembo Pharma: KB-95819
CiVentiChem: CV-6704
Fluorochem: 069614...13 total

ref: mol2, SDF, SMILES, flexibase
1.38,1.55,-47.06,3,2,1, 168.191, 1
mid: mol2, SDF, SMILES, flexibase
1.38,1.14,-4.64,2,2,0, 167.183, 1
67802757
 
#22

CiVentiChem: CV-6703
Fluorochem: 069621
Oakwood Chemical: 069621
Tractus: TRA0167118
Apollo Scientific (Depleted): OR61150...8 total

ref: mol2, SDF, SMILES, flexibase
1.28,0.78,-45.44,3,3,1, 180.227, 2
mid: mol2, SDF, SMILES, flexibase
1.28,0.41,-4.6,2,3,0, 179.219, 2
2566009
 
#23

ChemMol: 44023409, 1203325
AK Scientific: X8053
Anward: ANW-31400
Apexmol Building Blocks: AM803992
Ark Pharm Building Blocks: AK-77033...25 total

ref: mol2, SDF, SMILES, flexibase
2.76,0.33,-50.03,0,2,-1, 228.065, 3
34193531
 
#24

ChemMol: 30201208
Molport: MolPort-023-136-179
AK Scientific: 3798AA
AKOS: AKOS015849268
Apollo Scientific: PC48532...31 total

ref: mol2, SDF, SMILES, flexibase
0.34,3.95,-47.34,3,1,1, 154.208, 1
50213442
 
#25

Molport: MolPort-013-762-610
CiVentiChem: CV-6649
Molport BB: MolPort-013-762-610
PubChem: 62058948
SureChEMBL: SCHEMBL4780340...7 total

ref: mol2, SDF, SMILES, flexibase
-0.60,-0.26,-52.71,1,6,-1, 170.148, 3
50213441
 
#26

Molport: MolPort-013-762-610
CiVentiChem: CV-6649
Molport BB: MolPort-013-762-610
PubChem: 62058948
SureChEMBL: SCHEMBL4780340...7 total

ref: mol2, SDF, SMILES, flexibase
-0.60,-0.12,-53.72,1,6,-1, 170.148, 3
26515783
 
#27

Aldrich CPR: CVT00010|ALDRICH
CiVentiChem: CV-6648
Sigma Aldrich (Building Blocks): CVT00010|ALDRICH
PubChem: 33788212, 33788211
Enamine BB Make on Demand: BBV-33804247...7 total

ref: mol2, SDF, SMILES, flexibase
-0.35,0.37,-50.97,0,6,-1, 170.148, 4

Similar to: 34973660, 36379848, 47843872,
50213538
 
#28

eMolecules: 36905586
Molport: MolPort-013-762-694
Aldrich CPR: CVT00008|ALDRICH
CiVentiChem: CV-6646
Enamine Building Blocks: EN300-123416...11 total

ref: mol2, SDF, SMILES, flexibase
0.54,3.06,-50.13,0,5,-1, 154.149, 3
36379848
 
#29

AKOS: AKOS008124337
Aldrich CPR: CVT00009|ALDRICH
CiVentiChem: CV-6645
Enamine Building Blocks: EN300-52193
Mcule: MCULE-1624453829...14 total

ref: mol2, SDF, SMILES, flexibase
-0.97,-1.05,-49.24,1,6,-1, 156.121, 3

Similar to: 37024515, 37113849, 34973654, 34973660, 34973682, ... 13 in total.
50213447
 
#30

CiVentiChem: CV-6644
PubChem: 62058950
Enamine BB Make on Demand: BBV-33810592
UORSY BB Make-on-demand: BBV-33810592
ref: mol2, SDF, SMILES, flexibase
-0.16,0.78,-54.34,1,6,-1, 184.175, 3

Similar to: 52221446, 52222885, 52222887,
50213539
 
#31

Molport: MolPort-013-762-695
Aldrich CPR: CVT00006|ALDRICH
CiVentiChem: CV-6643
Molport BB: MolPort-013-762-695
Sigma Aldrich (Building Blocks): CVT00006|ALDRICH...10 total

ref: mol2, SDF, SMILES, flexibase
0.40,2.85,-50.37,0,5,-1, 154.149, 2

Similar to: 52221630,
50213127
 
#32

Aldrich CPR: CVT00011|ALDRICH
CiVentiChem: CV-6641
Sigma Aldrich (Building Blocks): CVT00011|ALDRICH
Synblock: AB71500
PubChem: 20750680...7 total

ref: mol2, SDF, SMILES, flexibase
0.04,2.31,-50.76,0,5,-1, 140.122, 2
44560041
 
#33

ChemMol: 30202992
AK Scientific: X9597
American Custom Chemicals Corp.: CCH0000215, HCH0103089
Apollo Scientific: PC48555
Ark Pharm Building Blocks: AK-42082...37 total

ref: mol2, SDF, SMILES, flexibase
0.57,3.82,-51.01,3,1,1, 174.626, 1
hi: mol2, SDF, SMILES, flexibase
0.57,3.52,-2.68,2,1,0, 173.618, 1
hi: mol2, SDF, SMILES, flexibase
2.78,4.36,-4.19,0,1,0, 204.042, 0
64033554
 
#34

Acros Organics: 42966
CiVentiChem: CV-6610
Enamine Building Blocks: EN300-135124
Molport BB: MolPort-009-199-030
Ryan Scientific BB: 048-08632...9 total

ref: mol2, SDF, SMILES, flexibase
2.18,3.62,-47.42,3,1,1, 156.636, 1
hi: mol2, SDF, SMILES, flexibase
2.18,3.22,-2.46,2,1,0, 155.628, 1
43179100
 
#35

ChemMol: 44033569
Molport: MolPort-016-579-024
AK Scientific: 7855AB
AKOS: AKOS015854738
Aldrich CPR: CVT00041|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
1.27,3.34,-39.34,2,4,-1, 263.014, 1
mid: mol2, SDF, SMILES, flexibase
1.27,3.82,-35.77,3,4,0, 264.022, 1
34547590
 
#36

Molport: MolPort-019-910-261
AK Scientific: 5309AE
Aldrich CPR: CVT00091|ALDRICH
Chembo Pharma: KB-199029
CiVentiChem: CV-6387...16 total

ref: mol2, SDF, SMILES, flexibase
1.11,3.2,-43.08,2,4,-1, 263.014, 1
mid: mol2, SDF, SMILES, flexibase
1.11,3.67,-39.33,3,4,0, 264.022, 1

Similar to: 34538489,
27838115
 
#37

Ark Pharm Building Blocks: AK-46098
Chembo Pharma: KB-182049
ChemBridge BuildingBlocks: 4004240
Chemstep: 167
CiVentiChem: CV-6386...22 total

ref: mol2, SDF, SMILES, flexibase
1.59,5.3,-52.57,0,2,-1, 145.137, 1
2559585
 
#38

ChemMol: 30106628, 44005470, 44015750
eMolecules: 2733702
Molport: MolPort-001-771-741
Scientific Exchange: M-965958
AKOS: AKOS002332025...77 total

ref: mol2, SDF, SMILES, flexibase
0.05,8,-58.22,0,5,-1, 294.233, 3
lo: mol2, SDF, SMILES, flexibase
0.05,7.18,-23.23,1,5,0, 295.241, 3

Similar to: 34222637, 34225025, 34225585, 34343580, 34403808, ... 15 in total.
167398
 
#39

ChemMol: 44002277, 1033593, 97801973, 1032290, 42305477, 30101896
Acorn PharmaTech: ACN-S003471
ACT Chemical BB: ACT00631
AK Scientific: Q990
Aldrich CPR: R548561|ALDRICH...54 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.93,-6.53,1,4,0, 191.545, 1
403231
 
#40

eMolecules: 513601
Molport: MolPort-001-792-219
Acros Organics: 43541
AK Scientific: X8019
Ark Pharm Building Blocks: AK143298...40 total

ref: mol2, SDF, SMILES, flexibase
1.38,5.35,-56.58,0,4,-1, 179.151, 3
1611432
 
#41

CiVentiChem: CV-6282
ChemDB: 5258848
PubChem: 51381077, 151620
SureChEMBL: SCHEMBL1560808
ref: mol2, SDF, SMILES, flexibase
0.99,2.6,-54.2,0,5,-1, 209.177, 4

Similar to: 44199531, 44200397,
34128013
 
#42

Molport: MolPort-011-486-928
AKOS: AKOS008142994
Aldrich CPR: PH009560|ALDRICH
CiVentiChem: CV-6269
Enamine Building Blocks: EN300-73277...20 total

ref: mol2, SDF, SMILES, flexibase
0.83,4.65,-41.78,0,2,-1, 133.192, 3

Similar to: 44226894,
34128011
 
#43

Molport: MolPort-011-486-928
AKOS: AKOS008142994
CiVentiChem: CV-6269
Enamine Building Blocks: EN300-73277
Mcule: MCULE-7112130175...19 total

ref: mol2, SDF, SMILES, flexibase
0.83,4.67,-42.44,0,2,-1, 133.192, 3

Similar to: 44226894,
19090957
 
#44

eMolecules: 15212327
Molport: MolPort-020-014-261
AK Scientific: 3210AA
Ark Pharm Building Blocks: AK109433
BePharm Building Blocks: B163992...32 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-0.15,-40.76,4,3,1, 143.21, 2
8101003
 
#45

ChemMol: 96705463, 30111729, 44027460, 30203829, 44006786
eMolecules: 31260850
Molport: MolPort-002-045-614, MolPort-000-005-059
Acorn PharmaTech: ACN-S002129
Acros Organics: 42763...98 total

ref: mol2, SDF, SMILES, flexibase
0.00,2.7,-11.2,1,4,0, 126.115, 2
lo: mol2, SDF, SMILES, flexibase
0.00,3.17,-39.81,2,4,1, 127.123, 2
19798357
 
#46

ChemMol: 30112012, 1036094, 96705430, 30203828, 44007709
eMolecules: 507149, 2331048
Molport: MolPort-000-004-245, MolPort-002-132-295
Scientific Exchange (make on demand): POD_55/0798
Acorn PharmaTech: ACN-S002130...130 total

ref: mol2, SDF, SMILES, flexibase
-0.26,1.65,-63.03,1,4,-1, 111.08, 1
mid: mol2, SDF, SMILES, flexibase
-0.26,2.09,-49.92,2,4,0, 112.088, 1
1718572
 
#47

ChemMol: 97806697, 44025125
Acros Organics: 12701
AKOS: AKOS001187242
Alfa-Aesar: L02589
Angene Building Blocks: AGN-PC-0JKFAD...72 total

ref: mol2, SDF, SMILES, flexibase
-2.99,4.22,-49.39,1,5,-1, 146.122, 4

Similar to: 1849692, 2521573, 33802801,
9280216
 
#48

eMolecules: 903142
Molport: MolPort-003-836-678
AK Scientific: 7396AC
AKOS: AKOS000271903
Aldrich CPR: CDS002205|ALDRICH...41 total

ref: mol2, SDF, SMILES, flexibase
2.55,6,-42.28,0,4,-1, 235.65, 2
6677789
 
#49

AK Scientific: 6543AC
AKOS: AKOS000302656
Ark Pharm Building Blocks: AK111545
Asinex: BAS10150933
Asinex Building Blocks: BAS10150933...25 total

ref: mol2, SDF, SMILES, flexibase
2.55,0.62,-55.67,0,4,-1, 235.65, 2

Similar to: 39935103,
38478097
 
#50

eMolecules: 27268058, 31287627
Molport: MolPort-008-340-843
Chembo Pharma: KB-98631
CiVentiChem: CV-6038
Enamine Building Blocks: EN300-111121...29 total

ref: mol2, SDF, SMILES, flexibase
2.86,6.13,-40.93,1,4,-1, 235.65, 2
20264929
 
#51

CiVentiChem: CV-6014
Ryan Scientific BB: 048-07901
Tractus: TRA0167023
Innovapharm BB Make on Demand: BBV-00042927
ChemDB: 7782444...8 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.18,-42,0,4,-1, 257.052, 2

Similar to: 34972816,
31777236
 
#52

CiVentiChem: CV-6005
Ryan Scientific BB: 048-07890
Tractus: TRA0166080
PubChem: 45790145, 51655783
ref: mol2, SDF, SMILES, flexibase
3.19,6.85,-41.45,0,4,-1, 270.095, 2
19929406
 
#53

eMolecules: 27268050, 851460
AK Scientific: W5071
AKOS: AKOS000275841, AKOS000144648
Alinda Building Blocks: ALBB-012102
Angene Building Blocks: AGN-PC-0O8IQG...57 total

ref: mol2, SDF, SMILES, flexibase
3.09,5.11,-40.51,1,4,-1, 256.068, 2

Similar to: 38255053, 4243856,
5284107
 
#54

CiVentiChem: CV-5997
Florida Heterocyclic Compounds: 8792
ChemDB: 4668641
PubChem: 40521698, 3722101
ref: mol2, SDF, SMILES, flexibase
1.40,-0.77,-55.6,1,8,-1, 291.287, 5

Similar to: 5284103,
5284103
 
#55

CiVentiChem: CV-5997
Florida Heterocyclic Compounds: 8792
ChemDB: 4668641
PubChem: 40521695, 3722101
ref: mol2, SDF, SMILES, flexibase
1.40,-0.77,-55.65,1,8,-1, 291.287, 5

Similar to: 5284107,
21303269
 
#56

ChemMol: 30115305, 51502189, 44006257
AK Scientific: W9360
Alfa-Aesar: H54917
Angene Building Blocks: AGN-PC-04Z0WO
Anward: ANW-41241...42 total

ref: mol2, SDF, SMILES, flexibase
2.00,4.1,-3.4,0,4,0, 217.022, 1
2559366
 
#57

ChemMol: 30110280, 44006471, 2100604
Molport: MolPort-001-767-697
A&J Pharmtech: AJ-00176
Acorn PharmaTech: ACN-S003286
Acros Organics: 37957...66 total

ref: mol2, SDF, SMILES, flexibase
2.58,-0.14,-4.42,0,4,0, 237.44, 1
8698072
 
#58

ChemMol: 96706406, 30111265, 83603522, 44006491
eMolecules: 722999, 528048
Molport: MolPort-001-496-725
Scientific Exchange (make on demand): T-036777
A&J Pharmtech: AJ-01311...90 total

ref: mol2, SDF, SMILES, flexibase
1.23,2.76,-22.67,1,5,0, 218.994, 1
mid: mol2, SDF, SMILES, flexibase
1.69,1.69,-38.41,0,5,-1, 217.986, 1
19202471
 
#59

ChemMol: 44022437, 97803949, 30111081, 44006450
eMolecules: 502691
Scientific Exchange (make on demand): Z-026127
Acros Organics: 30624
AK Scientific: K158...89 total

ref: mol2, SDF, SMILES, flexibase
1.39,2.72,-4.93,2,5,0, 218.01, 1

Similar to: 4016262,
44200724
 
#60

Chembo Pharma: KB-201349
CiVentiChem: CV-5986
PubChem: 53404910
SureChEMBL: SCHEMBL3027865
ref: mol2, SDF, SMILES, flexibase
1.25,4.58,-9.92,1,4,0, 182.223, 4

Similar to: 13283612, 12411415, 128257,
2529865
 
#61

ChemMol: 30110160, 97806641, 1032057, 98002312, 44007236, 1200600
AK Scientific: U722
Alfa-Aesar: H63776
Angene Building Blocks: AGN-PC-0NFNV3
Anward: ANW-27477...47 total

ref: mol2, SDF, SMILES, flexibase
3.48,5.74,-41.34,0,2,-1, 268.008, 2

Similar to: 44199449,
20445545
 
#62

eMolecules: 48609685
Molport: MolPort-028-951-719, MolPort-019-910-231
Ark Pharm Building Blocks: AK-43747
Chembo Pharma: KB-216555
ChemBridge BuildingBlocks: 4030150...14 total

ref: mol2, SDF, SMILES, flexibase
-0.82,5.15,-43.98,1,4,0, 140.142, 1
hi: mol2, SDF, SMILES, flexibase
-0.82,4.7,-46.43,0,4,-1, 139.134, 1

Similar to: 32191415,
5013053
 
#63

ChemMol: 44028607, 1035987
eMolecules: 4358629, 487836
Molport: MolPort-000-003-642, MolPort-001-728-901
Acorn PharmaTech: ACN-000001
Acros Organics: 19034...71 total

ref: mol2, SDF, SMILES, flexibase
0.60,4.1,-10.74,1,4,0, 154.169, 3

Similar to: 39254786,
6661540
 
#64

Ark Pharm Building Blocks: AK136863
Chembo Pharma: KB-78817
CiVentiChem: CV-5931
Fragmenta: PIP016
Toronto Research Chemicals: P307500...11 total

ref: mol2, SDF, SMILES, flexibase
3.55,1.71,-44.32,2,4,1, 325.432, 6

Similar to: 33852231, 34646740, 38608445,
4228206
 
#65

ChemMol: 44025192
eMolecules: 5679154
Molport: MolPort-000-877-470
ACT Chemical BB: ACT10555
AK Scientific: W9332...39 total

ref: mol2, SDF, SMILES, flexibase
1.04,2.44,-49.61,1,3,-1, 124.119, 1
4654791
 
#66

BOC Sciences BB: 101973-77-7
CiVentiChem: CV-5882
ChEMBL DrugStore: CHEMBL2003782
ChEMBL19: CHEMBL2003782
ChemDB: 7626804...14 total

ref: mol2, SDF, SMILES, flexibase
2.57,2.08,-55.98,0,4,-1, 279.337, 7

Similar to: 38273453, 38273454, 38411337, 38411338, ... 4 in total.
1533116
 
#67

BOC Sciences BB: 101973-77-7
CiVentiChem: CV-5882
ChEMBL DrugStore: CHEMBL2003782
ChEMBL19: CHEMBL2003782
ChemDB: 7626804...14 total

ref: mol2, SDF, SMILES, flexibase
2.58,9.21,-56.96,0,4,-1, 279.337, 7

Similar to: 34218947, 34218948, 34227138, 34227139, 34227140, ... 12 in total.
39059267
 
#68

ChemMol: 97900262, 30115515, 44028483
Active BioPharma: 415
AK Scientific: X7406
APIChem: AC-23171
Ark Pharm Building Blocks: AK162149...45 total

ref: mol2, SDF, SMILES, flexibase
3.76,6.42,-40.92,1,6,-1, 412.825, 6
mid: mol2, SDF, SMILES, flexibase
3.76,6.31,-19.11,2,6,0, 413.833, 6
6696
 
#69

Molport: MolPort-019-910-219
CiVentiChem: CV-5867
Ryan Scientific BB: 048-07878
Selleck Chemicals: S7424
Sigma Aldrich (Building Blocks): SML0402|SIGMA...14 total

ref: mol2, SDF, SMILES, flexibase
1.11,6.13,-48.21,1,3,-1, 236.247, 3
47818720
 
#70

Ark Pharm Building Blocks: AK117871
Chembo Pharma: KB-191081
CiVentiChem: CV-5843
PubChem: 19854234
SureChEMBL: SCHEMBL6903612...5 total

ref: mol2, SDF, SMILES, flexibase
0.86,4.75,-130.98,0,5,-2, 199.549, 2

Similar to: 34454691, 38482178,
270483
 
#71

eMolecules: 815085
Enolase via KEGG (EFI): C15419_2
AK Scientific: 8324AB
AKOS: AKOS000311526
American Custom Chemicals Corp.: CHM0014969...84 total

ref: mol2, SDF, SMILES, flexibase
1.77,6.01,-47.85,0,2,-1, 161.18, 2

Similar to: 36467512, 38523614, 38523615, 38523616, 38523617, ... 13 in total.
270485
 
#72

ChemMol: 83601402
eMolecules: 530702, 815085
Enolase via KEGG (EFI): C15419_1
Acros Organics: 13046
AK Scientific: 8324AB...103 total

ref: mol2, SDF, SMILES, flexibase
1.77,6.3,-48.88,0,2,-1, 161.18, 2

Similar to: 36467512, 38234925, 38523614, 38523615, 38523616, ... 10 in total.
270486
 
#73

eMolecules: 815085
Enolase via KEGG (EFI): C15419_4
AK Scientific: 8324AB
AKOS: AKOS000311526
American Custom Chemicals Corp.: CHM0014969...80 total

ref: mol2, SDF, SMILES, flexibase
1.77,6.3,-48.87,0,2,-1, 161.18, 2

Similar to: 36467512, 38234925, 38523614, 38523615, 38523616, ... 10 in total.
155876
 
#74

eMolecules: 815085
Enolase via KEGG (EFI): C15419_3
AK Scientific: 8324AB
AKOS: AKOS000311526
American Custom Chemicals Corp.: CHM0014969...73 total

ref: mol2, SDF, SMILES, flexibase
1.77,6.01,-47.81,0,2,-1, 161.18, 2

Similar to: 36467512, 38523614, 38523615, 38523616, 38523617, ... 9 in total.
47818715
 
#75

Molport: MolPort-004-754-065
Anward: ANW-69987
Ark Pharm Building Blocks: AK100722
BePharm Building Blocks: B241644
Bide Pharmatech BB: BD241644...21 total

ref: mol2, SDF, SMILES, flexibase
1.86,4.2,-9.46,3,3,0, 167.599, 0
4582647
 
#76

Aldrich CPR: S532479|ALDRICH
CiVentiChem: CV-5824
TimTec: ST50444509
ChemDB: 6662439
PubChem: 3456937...9 total

ref: mol2, SDF, SMILES, flexibase
1.51,1.46,-8.55,1,5,0, 180.163, 2

Similar to: 32206380, 34385177,
47818706
 
#77

CiVentiChem: CV-5816
PubChem: 52270694
ref: mol2, SDF, SMILES, flexibase
1.09,2.31,-37.64,2,4,1, 164.188, 0
lo: mol2, SDF, SMILES, flexibase
1.09,1.27,-12.31,3,4,0, 165.196, 0
47818704
 
#78

CiVentiChem: CV-5816
PubChem: 52270692
ref: mol2, SDF, SMILES, flexibase
1.09,2.31,-37.65,2,4,1, 164.188, 0
lo: mol2, SDF, SMILES, flexibase
1.09,1.27,-12.3,3,4,0, 165.196, 0
47818702
 
#79

Chembo Pharma: KB-187264
CiVentiChem: CV-5814
Ryan Scientific BB: 048-07947
Tractus: TRA0167930
PubChem: 52270691...5 total

ref: mol2, SDF, SMILES, flexibase
2.48,6.79,-14.04,2,5,0, 291.108, 2
mid: mol2, SDF, SMILES, flexibase
2.94,4.7,-40.1,1,5,-1, 290.1, 2
47818700
 
#80

Molport: MolPort-019-910-206
CiVentiChem: CV-5810
Princeton BioMolecular Research: OSSL_847594
PubChem: 52270690
ref: mol2, SDF, SMILES, flexibase
3.69,6.75,-4.43,0,3,0, 250.479, 1

Similar to: 39348289,
47818698
 
#81

Chembo Pharma: KB-201676
CiVentiChem: CV-5807
PubChem: 52270688, 53404912
ref: mol2, SDF, SMILES, flexibase
2.38,6.3,-41.05,0,7,-1, 316.289, 8
mid: mol2, SDF, SMILES, flexibase
1.64,7.52,-10.36,0,7,0, 317.297, 9
14443336
 
#82

Angene Building Blocks: AGN-PC-0OACHK
Chembo Pharma: KB-192742, KB-98119
CiVentiChem: CV-5795
Combi-Blocks: SS-6085
KeyOrganics: PS-8271...14 total

ref: mol2, SDF, SMILES, flexibase
2.02,2.83,-47.37,1,5,-1, 195.15, 3

Similar to: 21988926, 32267323, 39039328, 39236516, 39278824, ... 9 in total.
47818683
 
#83

CiVentiChem: CV-5792
PubChem: 52270681, 54731991
ref: mol2, SDF, SMILES, flexibase
2.45,1.65,-45.65,2,4,-1, 221.11, 2
hi: mol2, SDF, SMILES, flexibase
2.45,2.39,-96.06,1,4,-2, 220.102, 2

Similar to: 44200192,
1494997
 
#84

ChemMol: 42306857, 44009140, 1033280, 1203247, 30109631, 97801607, 44029153
eMolecules: 724481
Molport: MolPort-000-006-276
A&J Pharmtech: AJ-00888
Acorn PharmaTech: ACN-S004119...92 total

ref: mol2, SDF, SMILES, flexibase
-0.60,2.16,-41.13,0,4,-1, 123.091, 1
153316
 
#85

ChemMol: 97801085, 30107972, 44006178, 1031846
eMolecules: 723284
Scientific Exchange (make on demand): F-137885
Acros Organics: TL00715
AKOS: AKOS003382085...70 total

ref: mol2, SDF, SMILES, flexibase
2.44,3.08,-6.64,0,5,0, 195.174, 3

Similar to: 39133585,
403288
 
#86

ChemMol: 30201687, 30109381, 97300002, 42303917, 30104510, 97602900, 83601577, 1203575, 2000093, 96708068, 2100392
eMolecules: 514880
A&J Pharmtech: AJ-00246
Acorn PharmaTech: ACN-S002981
Acros Organics: 39958...138 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.16,-50.28,0,5,-1, 228.268, 3

Similar to: 2583129, 5066755, 16697119, 39941245, 39941246, ... 32 in total.
403289
 
#87

ChemMol: 30109381, 1203575, 83601577, 42303917, 30201688, 2100392, 96708068, 97602899, 2000093, 97300001
eMolecules: 514880
Acorn PharmaTech: ACN-S003051
Acros Organics: 39958
ACT Chemical BB: ACT04907...128 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.16,-50.25,0,5,-1, 228.268, 3

Similar to: 2583129, 5066755, 16697119, 39941245, 39941246, ... 32 in total.
64576
 
#88

ChemMol: 44005363, 44028052, 30106463
eMolecules: 4397752, 530931
Scientific Exchange (make on demand): Z-021407
AK Scientific: I525
AKOS: AKOS000119369...120 total

ref: mol2, SDF, SMILES, flexibase
0.77,4.13,-57.34,0,5,-1, 204.161, 2
47818673
 
#89

Chembo Pharma: KB-198125
CiVentiChem: CV-5772
PubChem: 52270675
ref: mol2, SDF, SMILES, flexibase
2.63,6.19,-7.15,0,5,0, 204.185, 2
47818671
 
#90

CiVentiChem: CV-5771
PubChem: 52270674
ref: mol2, SDF, SMILES, flexibase
-1.08,-1.05,-21.31,4,4,0, 157.198, 1
34153336
 
#91

AKOS: AKOS015969549
Ark Pharm Building Blocks: AK-49251
Capot Chemical: 23170
Chembo Pharma: KB-01021
CiVentiChem: CV-5760...13 total

ref: mol2, SDF, SMILES, flexibase
2.98,7.15,-6.87,0,3,0, 230.061, 2

Similar to: 39343018,
47818659
 
#92

AK Scientific: W5356
AKOS: AKOS014097117
Ark Pharm Building Blocks: AK-49676
BePharm Building Blocks: B162876
Capot Chemical: 23169...25 total

ref: mol2, SDF, SMILES, flexibase
3.21,6.99,-5.01,0,3,0, 250.479, 2

Similar to: 38258367,
14401203
 
#93

ChemMol: 96706906, 97806126
A&J Pharmtech: AJ-01354
Adesis: 4-293
AK Scientific: W9523
Aldrich CPR: ADE001004|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
1.42,4.74,-49.26,1,4,-1, 195.585, 1

Similar to: 39964200,
19770117
 
#94

ChemMol: 44002210, 30113252, 97802172, 83603336
eMolecules: 2724523
Molport: MolPort-000-004-418
Acros Organics: NP43009
AK Scientific: W7814...60 total

ref: mol2, SDF, SMILES, flexibase
1.15,3.81,-47.98,1,4,-1, 161.14, 1

Similar to: 35904598,
47818648
 
#95

CiVentiChem: CV-5742
PubChem: 52270665
ref: mol2, SDF, SMILES, flexibase
1.22,6.01,-12.37,1,6,0, 210.189, 5

Similar to: 2155784,
47818646
 
#96

Chembo Pharma: KB-189303
CiVentiChem: CV-5740
Sigma Aldrich (Building Blocks): 729795|ALDRICH
PubChem: 52270663
SureChEMBL: SCHEMBL5062095...5 total

ref: mol2, SDF, SMILES, flexibase
0.41,1.88,-49.2,4,4,1, 169.204, 4
hi: mol2, SDF, SMILES, flexibase
0.41,1.48,-8.18,3,4,0, 168.196, 4
47818644
 
#97

CiVentiChem: CV-5739
PubChem: 10891038, 52270662
ref: mol2, SDF, SMILES, flexibase
2.72,8.46,-53.19,0,5,-1, 272.28, 5

Similar to: 38274168,
47818642
 
#98

CiVentiChem: CV-5738
PubChem: 52270660
SureChEMBL: SCHEMBL5657793
ref: mol2, SDF, SMILES, flexibase
1.97,3.91,-47.54,0,4,-1, 202.189, 2
5520589
 
#99

CiVentiChem: CV-5734
Enamine Building Blocks: EN300-205840
Molport BB: MolPort-000-353-584
Innovapharm BB Make on Demand: BBV-00063355
Innovapharm Make-on-Demand: VT-00173127...11 total

ref: mol2, SDF, SMILES, flexibase
2.86,0.07,-49.41,0,3,-1, 220.635, 1

Similar to: 38524588, 39868102, 39868103, 44199691, 44199755, ... 7 in total.
2513001
 
#100

ChemMol: 44010405, 30112146
A&J Pharmtech: AJ-00370
Acorn PharmaTech: ACN-S001841
ACT Chemical BB: ACT09177
AK Scientific: V0508...30 total

ref: mol2, SDF, SMILES, flexibase
1.04,2.54,-49.51,1,3,-1, 124.119, 1

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 = 64 ) limit 0,100

Smiles were