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14808196
 
#1

A&J Pharmtech: AJ-02580
AK Scientific: Y5759
Anward: ANW-61333
Ark Pharm Building Blocks: AK-47835
BePharm Building Blocks: B144550...12 total

ref: mol2, SDF, SMILES, flexibase
1.19,1.91,-33.87,5,4,1, 210.644, 2
ref: mol2, SDF, SMILES, flexibase
1.06,1.92,-12.13,4,4,0, 209.636, 1
lo: mol2, SDF, SMILES, flexibase
1.06,1.63,-34.61,5,4,1, 210.644, 1
lo: mol2, SDF, SMILES, flexibase
1.06,1.9,-32.81,5,4,1, 210.644, 1
26895386
 
#2

A&J Pharmtech: AJ-02581
AK Scientific: Y5760
Anward: ANW-61334
Ark Pharm Building Blocks: AK-47824
BePharm Building Blocks: B144540...11 total

ref: mol2, SDF, SMILES, flexibase
1.16,1.58,-30.33,5,4,1, 210.644, 2
ref: mol2, SDF, SMILES, flexibase
1.03,2.18,-11.93,4,4,0, 209.636, 1
ref: mol2, SDF, SMILES, flexibase
1.03,1.53,-8.63,4,4,0, 209.636, 1
lo: mol2, SDF, SMILES, flexibase
1.03,1.45,-31.46,5,4,1, 210.644, 1
lo: mol2, SDF, SMILES, flexibase
1.03,1.59,-31.16,5,4,1, 210.644, 1
35565054
 
#3

AK Scientific: V2238
Anward: ANW-61406
APIChem: AC-11925
Ark Pharm Building Blocks: AK-44110
BePharm Building Blocks: B22754...12 total

20441128
 
#4

AK Scientific: X3404
Anward: ANW-61413
Ark Pharm Building Blocks: AK-43321, AK165393
BePharm Building Blocks: B210809
Chembo Pharma: KB-70934...14 total

ref: mol2, SDF, SMILES, flexibase
-0.10,0.83,-47.55,3,3,1, 124.167, 0
mid: mol2, SDF, SMILES, flexibase
-0.10,0.83,-43.73,3,3,1, 124.167, 0
hi: mol2, SDF, SMILES, flexibase
-0.10,-0.69,-5.9,2,3,0, 123.159, 0
hi: mol2, SDF, SMILES, flexibase
-0.10,-0.65,-5.84,2,3,0, 123.159, 0
2527462
 
#5

AK Scientific: 6152AB
Aldrich CPR: CDS014635|ALDRICH
Anward: ANW-61461
Ark Pharm Building Blocks: AK-40822
BePharm Building Blocks: B165731...11 total

82048335
 
#6

AK Scientific: 1396AA
Anward: ANW-61469
Ark Pharm Building Blocks: AK-40647
BePharm Building Blocks: B163089
Bide Pharmatech BB: BD163089...17 total

ref: mol2, SDF, SMILES, flexibase
2.49,4.5,-3.72,0,2,0, 264.453, 0
2547934
 
#7

eMolecules: 36087625
Molport: MolPort-020-090-383, MolPort-019-903-542
AK Scientific: Y5169
Anward: ANW-61478
Apexmol Building Blocks: AM20020182...27 total

ref: mol2, SDF, SMILES, flexibase
2.86,5.34,-6.01,1,4,0, 269.098, 3
ref: mol2, SDF, SMILES, flexibase
2.86,5.37,-8.29,1,4,0, 269.098, 3
82048333
 
#8

Anward: ANW-61490
Ark Pharm Building Blocks: AK-39633
BePharm Building Blocks: B206191
Chembo Pharma: KB-232029
Tractus: TRA0073012...9 total

ref: mol2, SDF, SMILES, flexibase
4.62,9.13,-6.62,0,1,0, 284.156, 1
40443165
 
#9

AK Scientific: 3171AA
AKOS: AKOS015995472
Anward: ANW-61513
Ark Pharm Building Blocks: AK-38879
BePharm Building Blocks: B163597...11 total

ref: mol2, SDF, SMILES, flexibase
1.70,8.3,-9.66,0,5,0, 292.331, 10
40443205
 
#10

AK Scientific: 3180AA
Anward: ANW-61514
Ark Pharm Building Blocks: AK-38877
BePharm Building Blocks: B163595
Chembo Pharma: KB-253633...12 total

ref: mol2, SDF, SMILES, flexibase
3.20,4.32,-6.49,1,4,0, 285.093, 3
hi: mol2, SDF, SMILES, flexibase
3.20,5.09,-42.74,0,4,-1, 284.085, 3
51943601
 
#11

AK Scientific: 4623AA
Anward: ANW-61516
Ark Pharm Building Blocks: AK-38848
BePharm Building Blocks: B163566
Chembo Pharma: KB-249377...10 total

ref: mol2, SDF, SMILES, flexibase
1.54,6.44,-46.44,0,6,-1, 277.3, 3
lo: mol2, SDF, SMILES, flexibase
1.54,6.83,-41.92,1,6,0, 278.308, 3
51951697
 
#12

AK Scientific: 4619AA
Anward: ANW-61517
Ark Pharm Building Blocks: AK-38838
BePharm Building Blocks: B163556
Chembo Pharma: KB-245446...9 total

ref: mol2, SDF, SMILES, flexibase
1.16,1.9,-6.05,3,4,0, 168.587, 0
mid: mol2, SDF, SMILES, flexibase
1.16,1.84,-11.67,3,4,0, 168.587, 0
51951686
 
#13

AK Scientific: 4651AA
Aldrich CPR: BLN00036|ALDRICH
Anward: ANW-61518
Ark Pharm Building Blocks: AK-38805
BePharm Building Blocks: B163523...14 total

ref: mol2, SDF, SMILES, flexibase
2.48,3.44,-3.65,1,3,0, 232.468, 0
51943968
 
#14

Anward: ANW-61519
Ark Pharm Building Blocks: AK-38799
BePharm Building Blocks: B163517
Chembo Pharma: KB-233170
Synblock: MB14527...9 total

ref: mol2, SDF, SMILES, flexibase
2.52,5.32,-11.6,1,4,0, 252.273, 2

Similar to: 34538501, 34538584, 34538612, 34538614, 34538628, ... 6 in total.
51943400
 
#15

AK Scientific: 2633AA
Anward: ANW-61522
Apexmol Building Blocks: AM802989
Ark Pharm Building Blocks: AK-38751
BePharm Building Blocks: B163465...11 total

ref: mol2, SDF, SMILES, flexibase
2.81,9.37,-51.94,0,6,-1, 344.387, 3
lo: mol2, SDF, SMILES, flexibase
2.81,7.52,-9.77,1,6,0, 345.395, 3
40443172
 
#16

AK Scientific: 3172AA
Anward: ANW-61523
Ark Pharm Building Blocks: AK-38740
BePharm Building Blocks: B163454
Chembo Pharma: KB-214092...11 total

ref: mol2, SDF, SMILES, flexibase
3.70,10.31,-7.06,0,3,0, 270.719, 3
lo: mol2, SDF, SMILES, flexibase
3.70,10.82,-34.24,1,3,1, 271.727, 3
51951701
 
#17

AK Scientific: 6792AC
AKOS: AKOS005145421
Anward: ANW-61527
Ark Pharm Building Blocks: AK-38702
BePharm Building Blocks: B163416...12 total

ref: mol2, SDF, SMILES, flexibase
1.64,6.1,-11.23,0,3,0, 201.254, 1
51951700
 
#18

AK Scientific: 6791AC
AKOS: AKOS005145419
Anward: ANW-61528
Ark Pharm Building Blocks: AK-38701
BePharm Building Blocks: B163415...13 total

ref: mol2, SDF, SMILES, flexibase
1.56,6.22,-11.4,0,3,0, 201.254, 1
39630818
 
#19

AK Scientific: 6357AC
Anward: ANW-61534
Ark Pharm Building Blocks: AK-38692
BePharm Building Blocks: B163406
Chembo Pharma: KB-257069...12 total

ref: mol2, SDF, SMILES, flexibase
2.16,2.91,-47.42,0,4,-1, 221.641, 3
lo: mol2, SDF, SMILES, flexibase
2.16,2,-8.48,1,4,0, 222.649, 3
40443149
 
#20

AK Scientific: 6277AC
Anward: ANW-61535
Ark Pharm Building Blocks: AK-38690
BePharm Building Blocks: B163404
Chembo Pharma: KB-239243...10 total

ref: mol2, SDF, SMILES, flexibase
2.62,9.33,-50.9,0,6,-1, 322.381, 9
lo: mol2, SDF, SMILES, flexibase
2.62,7.35,-13.55,1,6,0, 323.389, 9

Similar to: 32212026, 32212030,
51943310
 
#21

AK Scientific: 6070AC
Anward: ANW-61538
Ark Pharm Building Blocks: AK-38687
BePharm Building Blocks: B163401
Chembo Pharma: KB-240562...12 total

ref: mol2, SDF, SMILES, flexibase
1.01,1.86,-5.45,0,3,0, 176.017, 0
40443143
 
#22

AK Scientific: 5242AC
Anward: ANW-61542
Ark Pharm Building Blocks: AK-38680
BePharm Building Blocks: B163394
Chembo Pharma: KB-253948...10 total

ref: mol2, SDF, SMILES, flexibase
2.02,5.42,-8.04,1,5,0, 263.293, 4
40443142
 
#23

AK Scientific: 5242AC
Anward: ANW-61542
Ark Pharm Building Blocks: AK-38680
BePharm Building Blocks: B163394
Chembo Pharma: KB-253948...10 total

ref: mol2, SDF, SMILES, flexibase
2.02,5.42,-8.03,1,5,0, 263.293, 4
40443078
 
#24

AK Scientific: 3978AA
American Custom Chemicals Corp.: CCH0004392
Anward: ANW-61543
Ark Pharm Building Blocks: AK-38730, AK-38679
BePharm Building Blocks: B163393...14 total

ref: mol2, SDF, SMILES, flexibase
0.34,3.64,-47.22,3,2,1, 151.233, 1

Similar to: 33835874, 34534956, 34534958, 32143285, ... 4 in total.
34061162
 
#25

AK Scientific: 5094AC
Anward: ANW-61545
Ark Pharm Building Blocks: AK-38677
BePharm Building Blocks: B163391
Chembo Pharma: KB-205485...11 total

ref: mol2, SDF, SMILES, flexibase
1.74,2.54,-13.86,2,3,0, 192.193, 2
mid: mol2, SDF, SMILES, flexibase
1.74,2.55,-11.51,2,3,0, 192.193, 2
mid: mol2, SDF, SMILES, flexibase
1.74,2.72,-26.62,3,3,1, 193.201, 2
36473642
 
#26

AK Scientific: 5056AC
Anward: ANW-61547
Ark Pharm Building Blocks: AK-38675
BePharm Building Blocks: B163389
Chembo Pharma: KB-240076...11 total

ref: mol2, SDF, SMILES, flexibase
1.54,1.25,-46.32,2,5,-1, 215.616, 3
lo: mol2, SDF, SMILES, flexibase
1.54,2.04,-23.6,3,5,0, 216.624, 3
51943948
 
#27

AK Scientific: 4161AC
Anward: ANW-61558
Ark Pharm Building Blocks: AK-38662
BePharm Building Blocks: B163376
Chembo Pharma: KB-243503...11 total

ref: mol2, SDF, SMILES, flexibase
1.94,2.97,-10.44,3,5,0, 231.284, 1
51943521
 
#28

AK Scientific: 4160AC
Anward: ANW-61559
Ark Pharm Building Blocks: AK-38661
BePharm Building Blocks: B163375
Chembo Pharma: KB-236523...11 total

ref: mol2, SDF, SMILES, flexibase
1.74,4.31,-51.65,1,4,-1, 175.167, 1
mid: mol2, SDF, SMILES, flexibase
1.74,4.33,-46.98,1,4,-1, 175.167, 1

Similar to: 31894526,
34027595
 
#29

AK Scientific: 4062AC
Anward: ANW-61561
Ark Pharm Building Blocks: AK-38659
BePharm Building Blocks: B163373
Chembo Pharma: KB-250991...12 total

ref: mol2, SDF, SMILES, flexibase
2.10,4.99,-7.31,1,3,0, 204.225, 3

Similar to: 34454410, 34540497, 40443192,
40443192
 
#30

AK Scientific: 4062AC
Anward: ANW-61561
Ark Pharm Building Blocks: AK-38659
BePharm Building Blocks: B163373
Chembo Pharma: KB-250991...12 total

ref: mol2, SDF, SMILES, flexibase
2.10,4.99,-7.31,1,3,0, 204.225, 3

Similar to: 34027595, 34454410, 34540497,
51951687
 
#31

Anward: ANW-61562
Ark Pharm Building Blocks: AK-38658
BePharm Building Blocks: B163371
Chembo Pharma: KB-234782
Tractus: TRA0091780...10 total

ref: mol2, SDF, SMILES, flexibase
3.98,7.75,-9.25,1,2,0, 256.736, 2
lo: mol2, SDF, SMILES, flexibase
3.98,8.2,-30.59,2,2,1, 257.744, 2
40435214
 
#32

AK Scientific: 3972AC
Anward: ANW-61564
Ark Pharm Building Blocks: AK-38655
BePharm Building Blocks: B163368
Chembo Pharma: KB-234685...13 total

ref: mol2, SDF, SMILES, flexibase
0.50,0,-8.98,3,5,0, 162.152, 0
hi: mol2, SDF, SMILES, flexibase
0.50,0.75,-40.02,2,5,-1, 161.144, 0
51943937
 
#33

AK Scientific: 3847AC
Anward: ANW-61565
Ark Pharm Building Blocks: AK-38654
BePharm Building Blocks: B163367
Chembo Pharma: KB-248099...12 total

ref: mol2, SDF, SMILES, flexibase
1.89,1.7,-9.4,0,3,0, 216.063, 0
51951724
 
#34

AK Scientific: 3822AC
Anward: ANW-61566
Ark Pharm Building Blocks: AK-38653
BePharm Building Blocks: B163366
Chembo Pharma: KB-260416...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,10.11,-5.85,0,3,0, 301.43, 2

Similar to: 34472855, 34578548,
40443139
 
#35

AK Scientific: 3735AC
Anward: ANW-61567
Ark Pharm Building Blocks: AK-38652
BePharm Building Blocks: B163365
Chembo Pharma: KB-63639...15 total

ref: mol2, SDF, SMILES, flexibase
3.40,6.96,-10.21,2,6,0, 308.378, 8
40443138
 
#36

AK Scientific: 3735AC
Anward: ANW-61567
Ark Pharm Building Blocks: AK-38652
BePharm Building Blocks: B163365
Chembo Pharma: KB-63312...13 total

ref: mol2, SDF, SMILES, flexibase
3.40,6.8,-9.83,2,6,0, 308.378, 8
51943282
 
#37

AK Scientific: 3644AC
Anward: ANW-61568
Ark Pharm Building Blocks: AK-38651
BePharm Building Blocks: B163364
Chembo Pharma: KB-249607...12 total

ref: mol2, SDF, SMILES, flexibase
2.17,4.03,-5.9,2,4,0, 239.076, 0
40443083
 
#38

AK Scientific: 3507AC
American Custom Chemicals Corp.: CCH0006569, CCH0006570
Ark Pharm Building Blocks: AK-38648, AK-38708
BePharm Building Blocks: B163361
Collaborative Drug Discovery: 1376577...11 total

ref: mol2, SDF, SMILES, flexibase
1.82,3.86,-52.53,4,2,1, 238.326, 3
hi: mol2, SDF, SMILES, flexibase
1.82,3.55,-4.64,3,2,0, 237.318, 3
40443194
 
#39

AK Scientific: 3128AC
Anward: ANW-61573
Ark Pharm Building Blocks: AK-38642
BePharm Building Blocks: B163355
Chembo Pharma: KB-247372...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,5.77,-10.15,1,2,0, 259.132, 2
mid: mol2, SDF, SMILES, flexibase
4.23,6.56,-38.69,0,2,-1, 258.124, 2

Similar to: 34225502, 34225503, 34225518, 34225519, 34225521, ... 9 in total.
40443193
 
#40

AK Scientific: 3128AC
Anward: ANW-61573
Ark Pharm Building Blocks: AK-38642
BePharm Building Blocks: B163355
Chembo Pharma: KB-247372...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,5.77,-10.19,1,2,0, 259.132, 2
mid: mol2, SDF, SMILES, flexibase
4.23,6.56,-38.69,0,2,-1, 258.124, 2

Similar to: 34225502, 34225503, 34225518, 34225519, 34225521, ... 9 in total.
51943311
 
#41

Anward: ANW-61576, ANW-72870
Ark Pharm Building Blocks: AK162889, AK109316, AK-38635
BePharm Building Blocks: B240934, B163347
Chembo Pharma: KB-245202
Element Store BB: b2star-25233-30-1...21 total

ref: mol2, SDF, SMILES, flexibase
0.94,0.75,-3.92,1,3,0, 161.99, 0
mid: mol2, SDF, SMILES, flexibase
0.94,0.73,-34.34,0,3,-1, 160.982, 0
hi: mol2, SDF, SMILES, flexibase
0.94,0.77,-7.24,1,3,0, 161.99, 0
38482140
 
#42

AK Scientific: 1900AC
Anward: ANW-61582
Ark Pharm Building Blocks: AK127685, AK-38629
BePharm Building Blocks: B163340
Chembo Pharma: KB-244119...13 total

ref: mol2, SDF, SMILES, flexibase
-1.92,1.63,-35.43,2,5,0, 179.179, 1
hi: mol2, SDF, SMILES, flexibase
-1.92,0.36,-45.95,1,5,-1, 178.171, 1

Similar to: 30678304, 30678307,
38482139
 
#43

AK Scientific: 1900AC
Anward: ANW-61582
Ark Pharm Building Blocks: AK127685, AK-38629
BePharm Building Blocks: B163340
Chembo Pharma: KB-244119...13 total

ref: mol2, SDF, SMILES, flexibase
-1.92,1.68,-35.03,2,5,0, 179.179, 1
hi: mol2, SDF, SMILES, flexibase
-1.92,0.34,-46.16,1,5,-1, 178.171, 1

Similar to: 30678304, 30678307,
51943526
 
#44

AK Scientific: 1082AC
Anward: ANW-61585
Ark Pharm Building Blocks: AK-38620
BePharm Building Blocks: B163331
Chembo Pharma: KB-247784...10 total

ref: mol2, SDF, SMILES, flexibase
2.19,5.43,-12.88,1,5,0, 256.059, 1
hi: mol2, SDF, SMILES, flexibase
2.19,5,-33.18,0,5,-1, 255.051, 1

Similar to: 34468620,
39343546
 
#45

Angene Building Blocks: AGN-PC-00K5YH
Anward: ANW-61594
Ark Pharm Building Blocks: AK-38608
BePharm Building Blocks: B163319
Chembo Pharma: KB-242723...17 total

ref: mol2, SDF, SMILES, flexibase
1.40,2.82,-6.52,1,3,0, 162.192, 0

Similar to: 5312035,
51943971
 
#46

AK Scientific: 8914AB
Anward: ANW-61599
Ark Pharm Building Blocks: AK-38600
BePharm Building Blocks: B163309
Chembo Pharma: KB-243561...12 total

ref: mol2, SDF, SMILES, flexibase
3.81,8.79,-9.88,0,3,0, 315.17, 2

Similar to: 34544620,
10157331
 
#47

Scientific Exchange (make on demand): F-165285
AK Scientific: 8487AB
Anward: ANW-61603
Ark Pharm Building Blocks: AK-38596
BePharm Building Blocks: B163305...16 total

ref: mol2, SDF, SMILES, flexibase
2.94,7.98,-13,1,3,0, 254.264, 2
ref: mol2, SDF, SMILES, flexibase
3.16,8.24,-10.48,0,3,0, 254.264, 2
mid: mol2, SDF, SMILES, flexibase
3.40,6.12,-8.94,1,3,0, 254.264, 2

Similar to: 16478019, 34939342,
51951699
 
#48

AK Scientific: 8230AB
AKOS: AKOS005145433
Anward: ANW-61606
Ark Pharm Building Blocks: AK-38593
BePharm Building Blocks: B163302...11 total

ref: mol2, SDF, SMILES, flexibase
1.45,5.51,-11.43,0,4,0, 229.264, 2
lo: mol2, SDF, SMILES, flexibase
1.45,5.97,-44.88,1,4,1, 230.272, 2
51943576
 
#49

AK Scientific: 8150AB
Anward: ANW-61608
Ark Pharm Building Blocks: AK-38591
BePharm Building Blocks: B163300
Chembo Pharma: KB-244733...10 total

ref: mol2, SDF, SMILES, flexibase
5.77,8.37,-3.96,0,2,0, 348.023, 3

Similar to: 6116042,
34650551
 
#50

AK Scientific: 7424AB
Anward: ANW-61613
Ark Pharm Building Blocks: AK-38585
BePharm Building Blocks: B163294
Chembo Pharma: KB-244732...10 total

ref: mol2, SDF, SMILES, flexibase
6.74,10.39,-3.65,0,2,0, 390.104, 4
40443184
 
#51

AK Scientific: 3181AA
Anward: ANW-61618
Ark Pharm Building Blocks: AK-38476
BePharm Building Blocks: B163174
Chembo Pharma: KB-227713...9 total

ref: mol2, SDF, SMILES, flexibase
2.55,6,-8.22,2,3,0, 227.691, 5
40443107
 
#52

Aldrich CPR: BBO000412|ALDRICH
American Custom Chemicals Corp.: CCH0001517
Apexmol Building Blocks: AM805659
Ark Pharm Building Blocks: AK-38437
BePharm Building Blocks: B78609...14 total

ref: mol2, SDF, SMILES, flexibase
2.40,6.57,-43.9,0,5,-1, 240.279, 3
12141752
 
#53

AK Scientific: 3170AA
Anward: ANW-61623
Ark Pharm Building Blocks: AK-38388
BePharm Building Blocks: B161052
Chembo Pharma: KB-242830...11 total

ref: mol2, SDF, SMILES, flexibase
1.89,4.66,-43.17,2,4,1, 269.39, 5
hi: mol2, SDF, SMILES, flexibase
1.89,2.21,-8.37,1,4,0, 268.382, 5
39084748
 
#54

Apexmol Building Blocks: AM20090277
Ark Pharm Building Blocks: AK-38069
BePharm Building Blocks: B228050
Capot Chemical: 18347
ref: mol2, SDF, SMILES, flexibase
0.78,2.94,-42.19,3,4,1, 200.258, 3
mid: mol2, SDF, SMILES, flexibase
0.78,2.91,-6.21,2,4,0, 199.25, 3
40448788
 
#55

Anward: ANW-61656
Ark Pharm Building Blocks: AK-37469
BePharm Building Blocks: B158673
Chembo Pharma: KB-240790
Molport BB: MolPort-009-198-300...9 total

ref: mol2, SDF, SMILES, flexibase
1.15,2.36,-5.51,0,3,0, 189.012, 1
63772434
 
#56

eMolecules: 44455199
Molport: MolPort-008-266-890
AK Scientific: Z1758
Anward: ANW-61657
Ark Pharm Building Blocks: AK-37456...17 total

ref: mol2, SDF, SMILES, flexibase
1.07,2.37,-52.31,2,4,-1, 184.146, 2
51943286
 
#57

AK Scientific: 3643AC
Anward: ANW-61661
Ark Pharm Building Blocks: AK-36617
BePharm Building Blocks: B160935
Chembo Pharma: KB-291403...10 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.58,-36.62,2,4,1, 305.221, 4
40443179
 
#58

AK Scientific: 3642AC
Anward: ANW-61662
Apexmol Building Blocks: AM804439
Ark Pharm Building Blocks: AK-36616
BePharm Building Blocks: B160936...13 total

ref: mol2, SDF, SMILES, flexibase
2.32,6.82,-46.32,1,3,1, 333.271, 5
hi: mol2, SDF, SMILES, flexibase
2.32,4.36,-9.8,0,3,0, 332.263, 5
38338238
 
#59

AK Scientific: Q949
American Custom Chemicals Corp.: CCH0002946, CCH0005592
APIChem: AC-19122
Ark Pharm Building Blocks: AK-35751
BePharm Building Blocks: B21608...11 total

ref: mol2, SDF, SMILES, flexibase
-1.35,3.42,-137.2,6,4,2, 274.364, 5
mid: mol2, SDF, SMILES, flexibase
-1.35,3.18,-46.33,5,4,1, 273.356, 5
hi: mol2, SDF, SMILES, flexibase
-1.35,2.85,-6.18,4,4,0, 272.348, 5

Similar to: 32107840, 32107841, 32128809, 32128810, ... 4 in total.
32914903
 
#60

ChemMol: 44022297, 44021319
eMolecules: 42799912
Molport: MolPort-009-198-400, MolPort-022-871-843
AKOS: AKOS005141988
Anward: ANW-61795...31 total

ref: mol2, SDF, SMILES, flexibase
0.99,6.42,-62.11,1,4,-1, 267.058, 1
hi: mol2, SDF, SMILES, flexibase
2.29,4.15,-44.37,1,4,-1, 267.058, 1
lo: mol2, SDF, SMILES, flexibase
2.29,4.54,-36.74,2,4,0, 268.066, 1
lo: mol2, SDF, SMILES, flexibase
0.99,5.59,-26.83,2,4,0, 268.066, 1

Similar to: 39298188,
40448557
 
#61

AK Scientific: Y5771
Anward: ANW-61804
Ark Pharm Building Blocks: AK-27928
BePharm Building Blocks: B159224
Molport BB: MolPort-009-197-777...10 total

ref: mol2, SDF, SMILES, flexibase
2.35,5.02,-9.69,0,2,0, 166.611, 0
40448556
 
#62

AK Scientific: Y5770
Anward: ANW-61806
Ark Pharm Building Blocks: AK-27918
BePharm Building Blocks: B159222
BioSynth: W-205107...15 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.99,-5.63,0,2,0, 166.611, 0
40448520
 
#63

AK Scientific: Y5772
Anward: ANW-61807
Ark Pharm Building Blocks: AK-27912
BePharm Building Blocks: B159150
BioSynth: W-205103...11 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.99,-5.44,0,2,0, 166.611, 0
40448531
 
#64

AK Scientific: Y5235
Anward: ANW-61808
Ark Pharm Building Blocks: AK-27907
BePharm Building Blocks: B159160
BioSynth: W-205102...11 total

ref: mol2, SDF, SMILES, flexibase
0.86,4.59,-8.74,0,2,0, 150.156, 0
34617991
 
#65

AK Scientific: Y5465
Anward: ANW-61809
Ark Pharm Building Blocks: AK-27906
BePharm Building Blocks: B159152
Tractus: TRA0068305...9 total

ref: mol2, SDF, SMILES, flexibase
2.35,5.02,-8.47,0,2,0, 166.611, 0

Similar to: 331078, 20357526,
40448465
 
#66

AK Scientific: Y5236
Anward: ANW-61812
Ark Pharm Building Blocks: AK-27894
BePharm Building Blocks: B159080
BioSynth: W-205105...11 total

ref: mol2, SDF, SMILES, flexibase
1.81,4.59,-8.23,0,2,0, 150.156, 0
40448455
 
#67

AK Scientific: Y5774
Anward: ANW-61813
Ark Pharm Building Blocks: AK-27892
BePharm Building Blocks: B159051
BioSynth: W-205905...10 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.01,-7.62,0,2,0, 166.611, 0
39366960
 
#68

TCM Database @ Taiwan: 42435
AK Scientific: 1760AB
Anward: ANW-57968
Ark Pharm Building Blocks: AK105086
BePharm Building Blocks: B106209...10 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.4,-12.51,1,4,0, 189.17, 0

Similar to: 16953228,
44374932
 
#69

AK Scientific: Z3778
Angene Building Blocks: AGN-PC-0ALSZT
Anward: ANW-56484
Apexmol Building Blocks: AM83158
Ark Pharm Building Blocks: AK101139...17 total

ref: mol2, SDF, SMILES, flexibase
2.11,6.32,-45.48,0,2,-1, 187.577, 2

Similar to: 43503459,
82048301
 
#70

AK Scientific: 2395AA
Anward: ANW-57983
Ark Pharm Building Blocks: AK-78187
BePharm Building Blocks: B222324
Chembo Pharma: KB-260687...8 total

ref: mol2, SDF, SMILES, flexibase
0.08,5,-46.88,3,4,1, 249.334, 2
mid: mol2, SDF, SMILES, flexibase
0.08,4.69,-6.17,2,4,0, 248.326, 2
82048300
 
#71

AK Scientific: 2395AA
Anward: ANW-57983
Ark Pharm Building Blocks: AK-78187
BePharm Building Blocks: B222324
Chembo Pharma: KB-260687...8 total

ref: mol2, SDF, SMILES, flexibase
0.08,4.98,-46.97,3,4,1, 249.334, 2
mid: mol2, SDF, SMILES, flexibase
0.08,4.57,-6.24,2,4,0, 248.326, 2
44628701
 
#72

AK Scientific: Z7223
Angene Building Blocks: AGN-PC-0I2SBC
Ark Pharm Building Blocks: AK-68182
BePharm Building Blocks: B165774
Chembo Pharma: KB-241828...11 total

ref: mol2, SDF, SMILES, flexibase
1.90,3.18,-5.81,2,2,0, 178.622, 0

Similar to: 5785332,
82048299
 
#73

AK Scientific: Z4135
Anward: ANW-73912
Ark Pharm Building Blocks: AK-67628
BePharm Building Blocks: B208320
Chembo Pharma: KB-225598...13 total

ref: mol2, SDF, SMILES, flexibase
2.65,5.37,-5.93,0,4,0, 192.989, 1
2511702
 
#74

AK Scientific: 3207AC
Anward: ANW-58026
Ark Pharm Building Blocks: AK-39564
BePharm Building Blocks: B212256
Bide Pharmatech BB: BD212256...13 total

ref: mol2, SDF, SMILES, flexibase
1.32,4.41,-15.78,0,4,0, 185.223, 3
2511701
 
#75

AK Scientific: 3207AC
Anward: ANW-58026
Ark Pharm Building Blocks: AK-39564
BePharm Building Blocks: B212256
Bide Pharmatech BB: BD212256...12 total

ref: mol2, SDF, SMILES, flexibase
1.32,4.41,-15.74,0,4,0, 185.223, 3
51943801
 
#76

AK Scientific: 6074AB
Anward: ANW-58031
Ark Pharm Building Blocks: AK-35173
BePharm Building Blocks: B160280
Chembo Pharma: KB-244961...10 total

ref: mol2, SDF, SMILES, flexibase
3.16,6.86,-45.06,0,2,-1, 228.065, 2

Similar to: 32269760,
96006137
 
#77

Molport: MolPort-000-006-291
AK Scientific: X7403
Apexmol Building Blocks: AM81234
Ark Pharm Building Blocks: AK-51369
Chembo Pharma: KB-309134...35 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.81,-20.65,1,4,0, 377.444, 4
96034860
 
#78

eMolecules: 206844134
Acros Organics: 17270
AK Scientific: P119
Alfa-Aesar: B24328
Angene Building Blocks: AGN-PC-0NZOCG...35 total

ref: mol2, SDF, SMILES, flexibase
-0.56,-1.07,-9.54,4,4,0, 108.104, 0
96068381
 
#79

AK Scientific: Z4175
Angene Building Blocks: AGN-PC-0O3IX2
Ark Pharm Building Blocks: AK-78815, AK-27824, AK-25446
Boerchem Pharmatech BB: BC677908
Chembo Pharma: KB-277689...25 total

4017016
 
#80

eMolecules: 2746401
Molport: MolPort-020-003-799, MolPort-002-321-546
AKOS: AKOS005444341
Ark Pharm Building Blocks: AK-84870
Combi-Blocks: SS-0035...19 total

ref: mol2, SDF, SMILES, flexibase
5.18,1.69,-9.2,2,7,0, 358.479, 11

Similar to: 4017017, 4017018, 4017019, 32249696, 32249699, ... 20 in total.
98088341
 
#81

AK Scientific: 5869AC
Ark Pharm Building Blocks: AK102220
Tractus: TRA0097634
6036847
 
#82

Scientific Exchange Building Blocks: F-396381
ACT Chemical BB: ACT09042
Amadis Chemical: A848377
American Custom Chemicals Corp.: CCH0008309
Ark Pharm Building Blocks: AK103433...238 total

ref: mol2, SDF, SMILES, flexibase
1.32,4,-39.2,3,1,1, 136.218, 2

Similar to: 34383740, 34383741, 34454149, 34454150, 34589121, ... 7 in total.
96094072
 
#83

AK Scientific: Z5327
Ark Pharm Building Blocks: AK-36836
Fluorochem: 227941, 080240, 301684
Ryan Scientific BB: 086-88670
Alfa Chemistry (Depleted): ACM91159738...10 total

ref: mol2, SDF, SMILES, flexibase
0.52,1.03,-6.26,3,3,0, 111.148, 0
95953051
 
#84

Aldrich CPR: R426725|ALDRICH
Ark Pharm Building Blocks: AK-50037
Bide Pharmatech BB: BD22178
BioSynth: W-104672
Fluorochem: 045160...12 total

95953050
 
#85

Aldrich CPR: R426725|ALDRICH
Ark Pharm Building Blocks: AK-50037
Bide Pharmatech BB: BD22178
BioSynth: W-104672
Fluorochem: 045160...11 total

97664120
 
#86

eMolecules: 526889
A&J Pharmtech: AJ-00074
Acros Organics: 35942
Alfa-Aesar: H26924
Alinda Building Blocks: ALBB-006054...34 total

97664119
 
#87

eMolecules: 526889
Acros Organics: 35942
Alfa-Aesar: H26924
Alinda Building Blocks: ALBB-006054
Apexmol Building Blocks: AM85340...29 total

98088340
 
#88

AK Scientific: Y4696
Ark Pharm Building Blocks: AK101289
Bide Pharmatech BB: BD232828
Chembo Pharma: KB-159931
Enamine Building Blocks: EN300-178077...9 total

96482542
 
#89

AK Scientific: Q949
Alfa-Aesar: H25801
Ark Pharm Building Blocks: AK-35751
Bide Pharmatech BB: BD21608
Chembo Pharma: KB-205395...10 total

95953048
 
#90

Ark Pharm Building Blocks: AK-68417
BioSynth: W-203120
Chembo Pharma: KB-228156
TimTec Building Blocks: SBB056898
Tractus: TRA0069885...13 total

35395298
 
#91

AK Scientific: K415
Alfa-Aesar: H61234
Ark Pharm Building Blocks: AK-50135
Bachem: A-1370
Chembo Pharma: KB-59048...19 total

ref: mol2, SDF, SMILES, flexibase
2.38,9.17,-55.81,2,8,0, 375.425, 10

Similar to: 36447557, 2584434,
96300865
 
#92

eMolecules: 30083852
AK Scientific: 7048AB
Alinda: IBS-L0127344
Ark Pharm Building Blocks: AK-81244
Element Store BB: b2star-50912-92-0...22 total

ref: mol2, SDF, SMILES, flexibase
-1.56,1.67,-17.65,5,9,0, 233.228, 8
4023519
 
#93

eMolecules: 975032
Molport: MolPort-001-783-057
AK Scientific: 4503AB
Anward: ANW-28321
Apexmol Building Blocks: AM20090570...26 total

ref: mol2, SDF, SMILES, flexibase
3.73,-1.27,-6.31,0,0,0, 196.321, 0

Similar to: 6091523,
2510208
 
#94

ChemMol: 83603445
eMolecules: 723551
Acros Organics: BTB05698
AK Scientific: Y9539
Alfa-Aesar: B20138...36 total

ref: mol2, SDF, SMILES, flexibase
0.99,2.22,-4.72,2,3,0, 177.001, 0
6066702
 
#95

ChemMol: 44004377, 44008300
AK Scientific: V1323
Ark Pharm Building Blocks: AK-62193
BioSynth: W-100093
Boerchem Pharmatech BB: BC226382...20 total

ref: mol2, SDF, SMILES, flexibase
2.24,-2.86,-14.92,2,5,0, 372.461, 2

Similar to: 6995471, 21298766, 22058364, 38244406, 38724976, ... 13 in total.
96034863
 
#96

eMolecules: 206844189
Molport: MolPort-002-553-064
AK Scientific: H396
Angene Building Blocks: AGN-PC-0TCPLI
Ark Pharm Building Blocks: AK-32374...23 total

ref: mol2, SDF, SMILES, flexibase
0.54,0.51,-10.18,3,6,0, 215.234, 4
5019459
 
#97

Ark Pharm Building Blocks: AK-55972
NCI Plated 2007: 615045
PubChem: 40564924
ref: mol2, SDF, SMILES, flexibase
0.81,-4.59,-11.43,0,6,0, 283.305, 3

Similar to: 34536538, 34536540, 35785606, 35785608, 39296251, ... 5 in total.
96068393
 
#98

Ark Pharm Building Blocks: AK-55892
Fluorochem: 036493
Lab Seeker Building Blocks: SC-19133
Molport BB: MolPort-006-709-405
Ryan Scientific BB: 077-64523...8 total

ref: mol2, SDF, SMILES, flexibase
2.74,6.71,-14.52,2,5,0, 355.463, 7
96068392
 
#99

Ark Pharm Building Blocks: AK-55892
Fluorochem: 036493
Lab Seeker Building Blocks: SC-19133
Molport BB: MolPort-006-709-405
Ryan Scientific BB: 077-64523...8 total

ref: mol2, SDF, SMILES, flexibase
2.74,6.71,-14.71,2,5,0, 355.463, 7
96328974
 
#100

AK Scientific: R151
Ark Pharm Building Blocks: AK-24021
BOC Sciences BB: 28840-64-4
Chembo Pharma: KB-98106, KB-19905
Lab Seeker Building Blocks: SC-46572...10 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 = 648 ) limit 0,100

Smiles were