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96007043
 
#1

AsisChem: ASIS-0116
AsisChem Building Blocks: ASIS-0116
ref: mol2, SDF, SMILES, flexibase
2.42,5.29,-6.23,0,3,0, 244.088, 3
96007042
 
#2

AsisChem: ASIS-0115
AsisChem Building Blocks: ASIS-0115
ref: mol2, SDF, SMILES, flexibase
3.80,8.68,-42.07,0,6,-1, 320.376, 0
96007040
 
#3

AsisChem: ASIS-0113
AsisChem Building Blocks: ASIS-0113
ref: mol2, SDF, SMILES, flexibase
2.88,9.68,-11.94,0,3,0, 235.718, 3
96007039
 
#4

AsisChem: ASIS-0104
AsisChem Building Blocks: ASIS-0104
ref: mol2, SDF, SMILES, flexibase
4.03,8,-6.17,0,1,0, 300.139, 0
96007038
 
#5

AsisChem: ASIS-0099
AsisChem Building Blocks: ASIS-0099
ref: mol2, SDF, SMILES, flexibase
1.00,5.1,-49.99,1,4,-1, 242.201, 5
96007036
 
#6

AsisChem: ASIS-0098
AsisChem Building Blocks: ASIS-0098
ref: mol2, SDF, SMILES, flexibase
4.72,14.22,-11.99,0,4,0, 383.447, 6
96007035
 
#7

AsisChem: ASIS-0096
AsisChem Building Blocks: ASIS-0096
ref: mol2, SDF, SMILES, flexibase
3.65,5.43,-5.71,1,2,0, 230.307, 3
96007033
 
#8

AsisChem: ASIS-0095
AsisChem Building Blocks: ASIS-0095
ref: mol2, SDF, SMILES, flexibase
2.64,5.77,-12.68,1,6,0, 299.721, 4
38722758
 
#9

AsisChem: ASIS-0089
AsisChem Building Blocks: ASIS-0089
SureChEMBL: SCHEMBL913478
ref: mol2, SDF, SMILES, flexibase
6.15,13.11,-4.4,0,1,0, 381.313, 7

Similar to: 59997668, 59997669, 5812260, 5538759, 36723943, ... 9 in total.
96007031
 
#10

AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
ref: mol2, SDF, SMILES, flexibase
4.43,12.93,-20.34,1,7,0, 486.605, 9
31891523
 
#11

AK Scientific: 8246AA
Anward: ANW-71945
Ark Pharm Building Blocks: AK-60811
AsisChem: ASIS-0085
AsisChem Building Blocks: ASIS-0085...14 total

ref: mol2, SDF, SMILES, flexibase
-0.45,-0.11,-40.44,3,3,1, 143.21, 0
mid: mol2, SDF, SMILES, flexibase
-0.45,-1.25,-5.76,2,3,0, 142.202, 0
hi: mol2, SDF, SMILES, flexibase
-0.26,-2.55,-35.49,2,3,0, 142.202, 0

Similar to: 42817929, 42817933, 42817936, 42817940, ... 4 in total.
38995478
 
#12

AsisChem: ASIS-0084
AsisChem Building Blocks: ASIS-0084
SureChEMBL: SCHEMBL1359190
ref: mol2, SDF, SMILES, flexibase
1.54,0.72,-3.54,0,2,0, 127.187, 0
96007028
 
#13

AsisChem: ASIS-0065
AsisChem Building Blocks: ASIS-0065
SureChEMBL: SCHEMBL4886687
ref: mol2, SDF, SMILES, flexibase
2.19,7.33,-51.43,0,4,-1, 229.211, 4
96007027
 
#14

AsisChem: ASIS-0046
AsisChem Building Blocks: ASIS-0046
ref: mol2, SDF, SMILES, flexibase
1.03,2.7,-10.45,2,7,0, 275.311, 4
hi: mol2, SDF, SMILES, flexibase
1.03,2.73,-37.97,1,7,-1, 274.303, 4
3161043
 
#15

AsisChem: ASIS-0045
AsisChem Building Blocks: ASIS-0045
UORSY BB Make-on-demand: BBV-36745602
ref: mol2, SDF, SMILES, flexibase
0.44,4.56,-35.67,1,9,-1, 268.234, 4
mid: mol2, SDF, SMILES, flexibase
0.44,5.1,-43.06,1,9,-1, 268.234, 4
96007026
 
#16

AsisChem: ASIS-0044
AsisChem Building Blocks: ASIS-0044
ref: mol2, SDF, SMILES, flexibase
0.13,5.4,-14.46,2,9,0, 269.242, 3
96007024
 
#17

AsisChem: ASIS-0043
AsisChem Building Blocks: ASIS-0043
ref: mol2, SDF, SMILES, flexibase
0.13,4.86,-12.3,2,9,0, 269.242, 3
96007023
 
#18

AsisChem: ASIS-0042
AsisChem Building Blocks: ASIS-0042
ref: mol2, SDF, SMILES, flexibase
0.13,4.58,-14.11,2,9,0, 269.242, 3
96007021
 
#19

AsisChem: ASIS-0037
AsisChem Building Blocks: ASIS-0037
ref: mol2, SDF, SMILES, flexibase
0.66,4.76,-11.82,2,8,0, 268.254, 3
lo: mol2, SDF, SMILES, flexibase
0.66,5.25,-42.8,3,8,1, 269.262, 3
96007020
 
#20

AsisChem: ASIS-0036
AsisChem Building Blocks: ASIS-0036
ref: mol2, SDF, SMILES, flexibase
2.95,12.3,-10.15,0,6,0, 300.41, 5
lo: mol2, SDF, SMILES, flexibase
2.95,12.61,-30.14,1,6,1, 301.418, 5
lo: mol2, SDF, SMILES, flexibase
2.95,12.93,-66.75,2,6,2, 302.426, 5
96007018
 
#21

AsisChem: ASIS-0035
AsisChem Building Blocks: ASIS-0035
ref: mol2, SDF, SMILES, flexibase
1.38,2.53,-6.26,1,2,0, 174.265, 2
96007016
 
#22

AsisChem: ASIS-0032
AsisChem Building Blocks: ASIS-0032
ref: mol2, SDF, SMILES, flexibase
0.75,3.72,-48.34,1,7,-1, 223.164, 3
mid: mol2, SDF, SMILES, flexibase
0.75,2.71,-11.66,2,7,0, 224.172, 3
96007014
 
#23

AsisChem: ASIS-0031
AsisChem Building Blocks: ASIS-0031
ref: mol2, SDF, SMILES, flexibase
0.54,2.15,-38.81,1,7,-1, 223.164, 3
mid: mol2, SDF, SMILES, flexibase
0.54,1.36,-10.57,2,7,0, 224.172, 3
96007012
 
#24

AsisChem: ASIS-0027
AsisChem Building Blocks: ASIS-0027
ref: mol2, SDF, SMILES, flexibase
4.40,7.07,-13.62,2,6,0, 366.398, 4
hi: mol2, SDF, SMILES, flexibase
4.40,7.98,-54.96,1,6,-1, 365.39, 4
96007011
 
#25

AsisChem: ASIS-0008
AsisChem Building Blocks: ASIS-0008
SureChEMBL: SCHEMBL1389406
ref: mol2, SDF, SMILES, flexibase
0.58,-0.56,-5.62,1,2,0, 165.283, 2
lo: mol2, SDF, SMILES, flexibase
0.58,1.7,-33.95,2,2,1, 166.291, 2
322718
 
#26

Molport: MolPort-001-933-479
Scientific Exchange (make on demand): H-051694
AKOS: AKOS000747064
Asinex: BAS00449293
AsisChem: ASIS-0118...12 total

ref: mol2, SDF, SMILES, flexibase
2.26,0.6,-13.58,1,7,0, 272.264, 3
2164945
 
#27

AsisChem: ASIS-0117
AsisChem Building Blocks: ASIS-0117
TimTec: ST50545936
BindingDB.org: 50087887
ChEMBL12: CHEMBL53694...11 total

ref: mol2, SDF, SMILES, flexibase
-0.09,1.8,-12.44,4,8,0, 244.232, 3

Similar to: 38812606, 38812607, 39255166,
207654
 
#28

eMolecules: 1297942
AKOS: AKOS000512250
Asinex: BAS01020411
AsisChem: ASIS-0112
AsisChem Building Blocks: ASIS-0112...25 total

ref: mol2, SDF, SMILES, flexibase
1.78,7.94,-19.9,0,6,0, 233.179, 2
21999608
 
#29

ChemMol: 44024350
eMolecules: 2740488
Molport: MolPort-000-001-257
AK Scientific: 3154AE
Alinda Building Blocks: ALBB-020783...32 total

ref: mol2, SDF, SMILES, flexibase
0.17,-1.92,-42.17,4,2,1, 104.173, 2

Similar to: 33961343, 34448079, 39244671, 39244672, 39244673, ... 7 in total.
1680440
 
#30

ChemMol: 30101474
eMolecules: 591781
Molport: MolPort-001-759-836
Acros Organics: 12635
AKOS: AKOS003809024...91 total

ref: mol2, SDF, SMILES, flexibase
3.84,8.41,-7.36,0,1,0, 196.249, 2

Similar to: 1719060, 34224745, 36457760, 39244566, 39295770, ... 5 in total.
56874833
 
#31

Enolase via KEGG (EFI): C17949_2
AsisChem: ASIS-0068
AsisChem Building Blocks: ASIS-0068
Biocyc via PubChem: CPD-11746
KEGG via PubChem: C17949...10 total

ref: mol2, SDF, SMILES, flexibase
-4.61,0.75,-105.38,1,6,-2, 207.122, 5
59405286
 
#32

Molport: MolPort-020-166-246
AsisChem: ASIS-0041
AsisChem Building Blocks: ASIS-0041
Enamine Building Blocks: EN300-75510
Molport BB: MolPort-020-166-246...9 total

ref: mol2, SDF, SMILES, flexibase
0.47,-0.85,-12.74,2,6,0, 208.22, 2
hi: mol2, SDF, SMILES, flexibase
0.47,-0.37,-38.59,1,6,-1, 207.212, 2
4566104
 
#33

eMolecules: 29705576
Molport: MolPort-009-075-229
AsisChem: ASIS-0039
AsisChem Building Blocks: ASIS-0039
Enamine Building Blocks: EN300-50658...12 total

ref: mol2, SDF, SMILES, flexibase
0.66,-5.61,-11.25,2,6,0, 208.22, 2
39061652
 
#34

AsisChem: ASIS-0029
AsisChem Building Blocks: ASIS-0029
Chembo Pharma: KB-292485
Chemstep: 28295
Molport BB: MolPort-004-766-268...8 total

ref: mol2, SDF, SMILES, flexibase
1.40,2.61,-39.42,0,3,-1, 146.125, 1
mid: mol2, SDF, SMILES, flexibase
1.40,1.83,-9.9,1,3,0, 147.133, 1

Similar to: 38415920,
295395
 
#35

AKOS: AKOS000548111
AsisChem: ASIS-0114
AsisChem Building Blocks: ASIS-0114
Mcule: MCULE-2130968427
ChemDB: 5051535...9 total

ref: mol2, SDF, SMILES, flexibase
3.72,9.02,-8.88,2,3,0, 285.387, 3
38136964
 
#36

Molport: MolPort-013-979-097
AsisChem: ASIS-0110
AsisChem Building Blocks: ASIS-0110
Enamine Building Blocks: EN300-124537
Molport BB: MolPort-013-979-097...9 total

ref: mol2, SDF, SMILES, flexibase
-0.66,-1.94,-17.47,2,5,0, 167.186, 4
39096922
 
#37

AsisChem: ASIS-0107
AsisChem Building Blocks: ASIS-0107
Chemstep: 54653
Element Store BB: b2star-101714-41-4
Enamine Building Blocks: EN300-209059...9 total

ref: mol2, SDF, SMILES, flexibase
0.79,1,-13.12,2,4,0, 209.226, 3
hi: mol2, SDF, SMILES, flexibase
0.79,1.92,-43.17,1,4,-1, 208.218, 3
35728268
 
#38

AsisChem: ASIS-0101
AsisChem Building Blocks: ASIS-0101
Chembo Pharma: KB-113192
Fluorochem: 316790
KeyOrganics: AS-5194...11 total

ref: mol2, SDF, SMILES, flexibase
2.34,6.21,-6.15,0,2,0, 178.622, 1
47516
 
#39

ChemMol: 44021399
eMolecules: 474432
AK Scientific: 0991AA
AKOS: AKOS000275988
Ark Pharm Building Blocks: AK-32731...48 total

ref: mol2, SDF, SMILES, flexibase
1.34,3.46,-10.14,1,4,0, 204.181, 1
hi: mol2, SDF, SMILES, flexibase
1.34,4.2,-36.62,0,4,-1, 203.173, 1

Similar to: 195518, 5825203,
19312536
 
#40

eMolecules: 629166
Molport: MolPort-001-030-159
Scientific Exchange (make on demand): X-062014
AKOS: AKOS000577020
Aldrich CPR: R414999|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
0.70,-3.37,-7.61,3,4,0, 201.266, 2

Similar to: 32156615, 203127, 1716863, 5083099, ... 4 in total.
4214175
 
#41

AK Scientific: Q786
AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
BioSynth: Q-101384
Ryan Scientific BB: 079-58198...20 total

ref: mol2, SDF, SMILES, flexibase
4.43,3.74,-19.44,1,7,0, 486.605, 9

Similar to: 11677970, 11677976, 11677979, 11677985, 11682142, ... 13 in total.
21986157
 
#42

AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
Bosche Scientific: V3525
PubChem: 29922671
ref: mol2, SDF, SMILES, flexibase
4.43,11.58,-21.3,1,7,0, 486.605, 9

Similar to: 26253036, 26253043, 34000944, 34000945, 39649299, ... 14 in total.
21986159
 
#43

AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
Bosche Scientific: V3525
PubChem: 29922673
ref: mol2, SDF, SMILES, flexibase
4.43,12.43,-20.42,1,7,0, 486.605, 9
25756785
 
#44

AK Scientific: Z6093
AsisChem: ASIS-0086
AsisChem Building Blocks: ASIS-0086
BroadPharm: BP-20974
Sigma Aldrich (Building Blocks): 644285|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
1.14,3.37,-13.62,0,6,0, 318.391, 11

Similar to: 38559069, 39224165, 2689608,
5765023
 
#45

AK Scientific: X5138
Angene Building Blocks: AGN-PC-0BVGUV
Ark Pharm Building Blocks: AK-68169
AsisChem: ASIS-0061
AsisChem Building Blocks: ASIS-0061...21 total

ref: mol2, SDF, SMILES, flexibase
0.67,0.52,-6.2,0,2,0, 97.117, 0

Similar to: 20443741, 33378851, 49584864,
70187365
 
#46

AsisChem: ASIS-0056
AsisChem Building Blocks: ASIS-0056
Chembo Pharma: KB-123230
Chemstep: 11488
Enamine Building Blocks: EN300-159641...9 total

ref: mol2, SDF, SMILES, flexibase
0.84,1.03,-11.27,2,4,0, 162.148, 1
38136966
 
#47

eMolecules: 36084722
Molport: MolPort-013-979-099
AsisChem: ASIS-0050
AsisChem Building Blocks: ASIS-0050
Enamine Building Blocks: EN300-73974...12 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-2.87,-17.44,2,5,0, 153.159, 3

Similar to: 43446735,
16250
 
#48

AsisChem: ASIS-0034
AsisChem Building Blocks: ASIS-0034
PubChem: 613105, 11449620
SureChEMBL: SCHEMBL2761995
ref: mol2, SDF, SMILES, flexibase
2.58,-2.2,-12.28,1,4,0, 306.365, 2

Similar to: 3954245, 13284239, 38226875, 38226877, 38429828, ... 14 in total.
5140015
 
#49

AsisChem: ASIS-0034
AsisChem Building Blocks: ASIS-0034
PubChem: 189144, 613105
SureChEMBL: SCHEMBL2761995
ref: mol2, SDF, SMILES, flexibase
2.58,6.38,-12.29,1,4,0, 306.365, 2
lo: mol2, SDF, SMILES, flexibase
2.58,6.63,-39.74,2,4,1, 307.373, 2

Similar to: 38226875, 38226877, 38429828, 38429829, 38429830, ... 10 in total.
16249
 
#50

AsisChem: ASIS-0033
AsisChem Building Blocks: ASIS-0033
PubChem: 194006
SureChEMBL: SCHEMBL5862656
ref: mol2, SDF, SMILES, flexibase
2.91,0.3,-12.58,0,4,0, 304.349, 2

Similar to: 38493151, 38778382,
32166489
 
#51

AsisChem: ASIS-0030
AsisChem Building Blocks: ASIS-0030
PubChem: 528386
SureChEMBL: SCHEMBL658824
Enamine BB Make on Demand: BBV-40047762...6 total

ref: mol2, SDF, SMILES, flexibase
2.72,2.47,-6.01,1,2,0, 191.013, 1
mid: mol2, SDF, SMILES, flexibase
2.72,4.81,-44.71,0,2,-1, 190.005, 1

Similar to: 4290814,
71789994
 
#52

AsisChem: ASIS-0028
AsisChem Building Blocks: ASIS-0028
Chembo Pharma: KB-87586
Enamine Building Blocks: EN300-199441
Molport BB: MolPort-027-946-139...10 total

ref: mol2, SDF, SMILES, flexibase
1.17,1.9,-9.26,1,3,0, 147.133, 1
mid: mol2, SDF, SMILES, flexibase
1.17,2.68,-35.39,0,3,-1, 146.125, 1
5220203
 
#53

eMolecules: 25837195
Molport: MolPort-002-129-825
Aldrich CPR: R277002|ALDRICH
AsisChem: ASIS-0018
AsisChem Building Blocks: ASIS-0018...16 total

ref: mol2, SDF, SMILES, flexibase
-0.71,-8.87,-29.59,5,8,0, 350.381, 3

Similar to: 38604635, 38604638, 38604641, 38604644, ... 5 in total.
3093786
 
#54

eMolecules: 838321
Molport: MolPort-000-871-668
AK Scientific: 7805AE, HTS007651
AKOS: AKOS000266298
Aldrich CPR: TMT00593|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
1.76,2.63,-12.94,1,4,0, 229.663, 4

Similar to: 39284196,
1723284
 
#55

eMolecules: 1335969
Molport: MolPort-001-538-046
Scientific Exchange (make on demand): Q-036789
AKOS: AKOS000493883
Alinda: IBS-L0047674...24 total

ref: mol2, SDF, SMILES, flexibase
4.15,5.32,-17.24,2,6,0, 424.588, 11

Similar to: 32192305, 34398904, 34459707, 34565056, 34571007, ... 13 in total.
31308455
 
#56

AsisChem: ASIS-0009
AsisChem Building Blocks: ASIS-0009
Florida Heterocyclic Compounds: 181
Tractus: TRA0155480
Alfa Chemistry (Depleted): ACM6302949...10 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.98,-3.14,0,1,0, 135.257, 0

Similar to: 1672780,
1327851
 
#57

AsisChem: ASIS-0006
AsisChem Building Blocks: ASIS-0006
Asinex (Depleted): ASN07113625
ChemDB: 3955100
PubChem: 1431110...6 total

ref: mol2, SDF, SMILES, flexibase
4.49,8.45,-18.47,1,7,0, 462.556, 6
lo: mol2, SDF, SMILES, flexibase
4.49,8.72,-35.76,2,7,1, 463.564, 6

Similar to: 35313203, 39982159,

Old detail retrieval took 0 seconds.

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Smiles were