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60289856
 
#1

AK Scientific: 5940AC
Anward: ANW-69629
Ark Pharm Building Blocks: AK104065
BePharm Building Blocks: B235604
Chembo Pharma: KB-55574...12 total

ref: mol2, SDF, SMILES, flexibase
1.72,0.74,-6.94,5,5,0, 223.276, 3
80441716
 
#2

AK Scientific: 3113AC
Anward: ANW-64269
Ark Pharm Building Blocks: AK104006
BePharm Building Blocks: B235545
Chembo Pharma: KB-19789...10 total

ref: mol2, SDF, SMILES, flexibase
2.59,3.47,-7.31,3,6,0, 266.297, 5
80441699
 
#3

AK Scientific: 7624AB
Anward: ANW-64306
Ark Pharm Building Blocks: AK103968
BePharm Building Blocks: B235507
Chembo Pharma: KB-48674...10 total

ref: mol2, SDF, SMILES, flexibase
2.50,3.03,-9.25,3,4,0, 244.241, 3
19415301
 
#4

ChemMol: 44015407
AK Scientific: W7865
Angene Building Blocks: AGN-PC-00JWAE
Anward: ANW-49150
Ark Pharm Building Blocks: AK-36108...34 total

ref: mol2, SDF, SMILES, flexibase
1.88,2.53,-8.22,3,4,0, 208.261, 3

Similar to: 39264385,
1654254
 
#5

AK Scientific: 2004AE
Apollo Scientific: PC3748E
FineTech: FT-0612431
Fluorochem: 006229
Indofine: 26-3586...22 total

ref: mol2, SDF, SMILES, flexibase
4.01,8.93,-4.37,0,0,0, 186.229, 2
158488
 
#6

ChemMol: 98002211, 1036910, 30112861, 83600900, 1201109, 1035877, 44007461
eMolecules: 526103
AKOS: AKOS005145534
Alfa-Aesar: H26929
Alinda Building Blocks: ALBB-006246...86 total

ref: mol2, SDF, SMILES, flexibase
1.64,1.14,-3.54,4,2,0, 187.04, 0
122906
 
#7

ChemMol: 42305386, 30116264, 1037383, 83600432
eMolecules: 515173
Molport: MolPort-001-769-200
Scientific Exchange (make on demand): H-034860
AK Scientific: L490...64 total

ref: mol2, SDF, SMILES, flexibase
2.85,-1.1,-5.79,1,2,0, 235.464, 1

Similar to: 4290813, 4290822, 38447023,
2541531
 
#8

ChemMol: 44009871, 1037352, 96705693, 30110218
AK Scientific: N520
Angene Building Blocks: AGN-PC-0NCNR1
Anward: ANW-20990
Apexmol Building Blocks: AM20050406...48 total

ref: mol2, SDF, SMILES, flexibase
1.57,4.69,-10.8,0,2,0, 149.124, 1
11893250
 
#9

Otava: 6668540
Sphinx: BEN-1-0012
Sphinx Make-on-demand: BEN-1-0012
PubChem: 25223537, 20993758
ref: mol2, SDF, SMILES, flexibase
3.48,1.01,-5.13,2,3,0, 250.479, 1
mid: mol2, SDF, SMILES, flexibase
3.48,1.77,-37.48,1,3,-1, 249.471, 1
hi: mol2, SDF, SMILES, flexibase
2.06,3.72,-34.92,1,3,-1, 249.471, 1
hi: mol2, SDF, SMILES, flexibase
3.48,1.44,-31.84,1,3,-1, 249.471, 1
938866
 
#10

ChemMol: 96707521
eMolecules: 711919
Acros Organics: 15631
AK Scientific: X5675
AKOS: AKOS000273718...45 total

ref: mol2, SDF, SMILES, flexibase
2.58,1.08,-8.58,1,2,0, 164.204, 1

Similar to: 34521175, 34541190, 34625946,
1593154
 
#11

AK Scientific: V4596
Angene Building Blocks: AGN-PC-0JMFP4
Anward: ANW-13730
Ark Pharm Building Blocks: AK-92617
BePharm Building Blocks: B230523...22 total

ref: mol2, SDF, SMILES, flexibase
3.08,-0.63,-3.57,2,1,0, 176.046, 0

Similar to: 32139843,
40571341
 
#12

ChemMol: 96706124
Molport: MolPort-016-578-763
AK Scientific: Z0778
Anward: ANW-74408
Ark Pharm Building Blocks: AK-57051...21 total

ref: mol2, SDF, SMILES, flexibase
3.10,5.24,-4.83,0,1,0, 193.004, 1
72191378
 
#13

ChemMol: 44029611, 44001198
Molport: MolPort-021-784-824
AK Scientific: X3303
Alfa-Aesar: H52322
Angene Building Blocks: AGN-PC-025A0G...22 total

ref: mol2, SDF, SMILES, flexibase
3.00,5.39,-7.04,0,1,0, 217.037, 1
2527793
 
#14

AK Scientific: Z1165
Alfa-Aesar: H26562
Ark Pharm Building Blocks: AK-41739
Bide Pharmatech BB: BD208396
Chembo Pharma: KB-105759...16 total

ref: mol2, SDF, SMILES, flexibase
3.10,1.98,-5.81,0,1,0, 193.004, 1
2510744
 
#15

ChemMol: 1037744, 30110323, 44012227, 2100933
eMolecules: 912698
Acorn PharmaTech: ACN-S004618
AK Scientific: X4238
Anward: ANW-30173...48 total

ref: mol2, SDF, SMILES, flexibase
2.87,1.27,-5.84,0,1,0, 205.026, 1
71494
 
#16

eMolecules: 887030
Molport: MolPort-002-912-065
Scientific Exchange (make on demand): Z-018296
AKOS: AKOS003441713
Alfa-Aesar: B25235...25 total

ref: mol2, SDF, SMILES, flexibase
4.08,0.89,-5.2,1,2,0, 246.137, 2

Similar to: 39367114, 44813521, 44813524,
2024213
 
#17

Molport BB: MolPort-003-801-582
Ryan Scientific BB: 073-51205
Specs Building Blocks: AE-641/30608028
Sphinx: BEN-1-0028
Sphinx Make-on-demand: BEN-1-0028...8 total

ref: mol2, SDF, SMILES, flexibase
2.83,-2.18,-13.51,0,5,0, 306.339, 6
1665089
 
#18

eMolecules: 2415147
Molport: MolPort-002-221-365
AKOS: AKOS005521401
Aldrich CPR: PH000400|ALDRICH
BioBlocks: A3053/0128931...20 total

ref: mol2, SDF, SMILES, flexibase
2.46,5.38,-21.34,0,5,0, 292.312, 5
69593847
 
#19

Sphinx: BEN-1-0038
Tractus: TRA0139101
Sphinx Make-on-demand: BEN-1-0038
EndoTherm (Depleted): ENS120
ref: mol2, SDF, SMILES, flexibase
4.88,10.69,-9.65,2,5,0, 367.445, 10
mid: mol2, SDF, SMILES, flexibase
4.88,10.4,-11.26,2,5,0, 367.445, 10
1622146
 
#20

eMolecules: 2860431
Molport: MolPort-002-466-035
Enamine: Z56942085
Enamine Building Blocks: EN300-08552
EndoTherm: ENO037...21 total

ref: mol2, SDF, SMILES, flexibase
3.84,2.05,-6.97,0,2,0, 206.285, 6

Similar to: 1965476, 31893297, 43465219, 43465269, ... 4 in total.
159322
 
#21

ChemMol: 44016093
eMolecules: 528138
AK Scientific: W5707
Alfa-Aesar: A15322
Angene Building Blocks: AGN-PC-0KKXTC...43 total

ref: mol2, SDF, SMILES, flexibase
2.56,1.62,-6.7,0,3,0, 245.072, 3

Similar to: 32206941, 34396627, 38294688, 44199665, ... 4 in total.
12428972
 
#22

eMolecules: 1103409
Molport: MolPort-001-845-114
Scientific Exchange (make on demand): F-393675
AKOS: AKOS003619052
Alinda: IBS-L0126723...22 total

ref: mol2, SDF, SMILES, flexibase
3.17,1.16,-8,2,4,0, 214.224, 2
ref: mol2, SDF, SMILES, flexibase
2.25,3.14,-12.33,2,4,0, 214.224, 2
mid: mol2, SDF, SMILES, flexibase
3.17,0.71,-41.79,1,4,-1, 213.216, 2
hi: mol2, SDF, SMILES, flexibase
3.17,1.49,-94.17,0,4,-2, 212.208, 2
hi: mol2, SDF, SMILES, flexibase
3.17,1.93,-41.8,1,4,-1, 213.216, 2

Similar to: 13130189, 4948010, 12359059,
35635950
 
#23

AK Scientific: 2201AA
Anward: ANW-68065
Ark Pharm Building Blocks: AK-80789
BePharm Building Blocks: B237715
Chembo Pharma: KB-245170...14 total

ref: mol2, SDF, SMILES, flexibase
3.21,4.21,-3.57,2,1,0, 220.497, 0
1995083
 
#24

ChemMol: 30103630, 1200989, 44003455, 1034365, 98000870
eMolecules: 493141
AK Scientific: S003
Alfa-Aesar: A13911
Angene Building Blocks: AGN-PC-0JLBUO...58 total

ref: mol2, SDF, SMILES, flexibase
2.09,3.05,-7.87,0,1,0, 156.131, 1

Similar to: 36156240,
152310
 
#25

ChemMol: 44023282, 1033502
Apexmol Building Blocks: AM62612
Apollo Scientific: PC9143
Capot Chemical: 8375
Chembo Pharma: KB-65094...29 total

ref: mol2, SDF, SMILES, flexibase
2.31,1.94,-3.95,0,2,0, 151.14, 1
2242586
 
#26

ChemMol: 1200987, 1034282, 98000040, 30100430, 44008912
eMolecules: 490404
Acros Organics: 21429
AK Scientific: I676
Alfa-Aesar: A10220...63 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.1,-8.05,0,1,0, 156.131, 1

Similar to: 44198933,
1558545
 
#27

Apexmol Building Blocks: AM804856
Ark Pharm Building Blocks: AK158569
Bide Pharmatech BB: BD287062
Chembo Pharma: KB-63795
Fluorochem: 386999...11 total

ref: mol2, SDF, SMILES, flexibase
5.07,2.75,-12.91,0,3,0, 332.399, 7

Similar to: 34028484, 34430492, 36463424, 38605565, 38724917, ... 8 in total.
5761641
 
#28

ChemMol: 44029669, 30115648
AK Scientific: 1580AB
Alinda Building Blocks: ALBB-016128
Anward: ANW-53226
APIChem: AC-23024...28 total

ref: mol2, SDF, SMILES, flexibase
2.41,-1.81,-4.84,2,2,0, 152.193, 1

Similar to: 21984360, 157885, 284222, 1680692, 2012739, ... 9 in total.
34571402
 
#29

EDASA Scientific: BB0263350
Fragmenta: AZA008
Molport BB: MolPort-038-387-113
Sphinx: BEN-1-0191
Sphinx Make-on-demand: BEN-1-0191...8 total

ref: mol2, SDF, SMILES, flexibase
2.95,4.76,-12.11,0,3,0, 251.351, 2

Similar to: 4293513, 4293514, 4293515, 4293517, ... 4 in total.
1467533
 
#30

ChemMol: 44003143, 30103286
Molport: MolPort-001-760-922
Scientific Exchange (make on demand): F-452358
Alinda Building Blocks: ALBB-021342
Angene Building Blocks: AGN-PC-0JTG9S...57 total

ref: mol2, SDF, SMILES, flexibase
2.20,0.27,-5.07,2,3,0, 185.61, 2

Similar to: 39333582,
365562
 
#31

eMolecules: 49394329
Molport: MolPort-002-828-616
AsisChem: J33228
Chembo Pharma: KB-114417
Specs: AN-652/43163262...16 total

ref: mol2, SDF, SMILES, flexibase
3.02,1.69,-11.48,1,4,0, 255.701, 4

Similar to: 6701336, 32101394, 32101397, 32110418, 37028233, ... 25 in total.
1428307
 
#32

ChemMol: 44011492
eMolecules: 975053
Molport: MolPort-001-757-915
Scientific Exchange (make on demand): POD_48/0166
AKOS: AKOS002025065...71 total

ref: mol2, SDF, SMILES, flexibase
1.30,0.3,-7.15,3,4,0, 167.164, 2

Similar to: 34450456, 36225092,
21925354
 
#33

Sphinx: BEN-1-0197
Sphinx Make-on-demand: BEN-1-0197
PubChem: 53299078
ref: mol2, SDF, SMILES, flexibase
2.81,3.91,-6.94,1,4,0, 207.229, 2
21925357
 
#34

Sphinx: BEN-1-0197
Sphinx Make-on-demand: BEN-1-0197
PubChem: 53299078
ref: mol2, SDF, SMILES, flexibase
2.81,3.91,-7.29,1,4,0, 207.229, 2
1081226
 
#35

ChemMol: 98001761, 30100316, 1037253, 83601800, 44008977, 1200274, 1037499
eMolecules: 511535
Alfa-Aesar: A16112
Angene Building Blocks: AGN-PC-0JMTB9
Anward: ANW-32809...77 total

ref: mol2, SDF, SMILES, flexibase
2.63,1.51,-9.36,0,1,0, 203.01, 1
408693
 
#36

Aldrich CPR: R647888|ALDRICH
Sphinx: BEN-1-0199
Tetrahedron Building Blocks: TS24464
TimTec: ST50451075
Tractus: TRA0158824...9 total

ref: mol2, SDF, SMILES, flexibase
2.32,-0.1,-7.48,1,2,0, 228.089, 1

Similar to: 34405293, 37013344,
37415555
 
#37

AK Scientific: Z7780
AKOS: AKOS009988574
Angene Building Blocks: AGN-PC-000SHK
Anward: ANW-16968
Ark Pharm Building Blocks: AK-53742...19 total

ref: mol2, SDF, SMILES, flexibase
2.34,4.91,-9.77,1,2,0, 228.089, 1

Similar to: 37013344,
1437415
 
#38

ChemMol: 44031820, 30109796, 30200324
eMolecules: 527738
Molport: MolPort-000-000-445
Scientific Exchange (make on demand): M-171555
Acros Organics: 35022...56 total

ref: mol2, SDF, SMILES, flexibase
2.33,-0.28,-6.92,2,3,0, 230.061, 2
55169
 
#39

ChemMol: 97800603, 30107246, 44005813
eMolecules: 505394
Scientific Exchange: POD_03/0882
Acorn PharmaTech: ACN-S001304
Acros Organics: 41407...74 total

ref: mol2, SDF, SMILES, flexibase
2.92,1.57,-4.54,0,2,0, 215.046, 2
346028
 
#40

eMolecules: 8200061
Molport: MolPort-002-800-631
Mcule: MCULE-6536071604
Ryan Scientific (Depleted): 002-25161
Specs: AE-562/12222846...11 total

ref: mol2, SDF, SMILES, flexibase
0.92,5.2,-8.74,1,4,0, 207.229, 3

Similar to: 37003241, 37013944, 37118428, 39233513, 39287949, ... 8 in total.
75844164
 
#41

Molport: MolPort-021-877-555
AK Scientific: Y3679
Anward: ANW-68825
Ark Pharm Building Blocks: AK-61468
BePharm Building Blocks: B218148...14 total

ref: mol2, SDF, SMILES, flexibase
3.00,5.53,-5.5,0,1,0, 217.037, 1
13376178
 
#42

Chembo Pharma: KB-269223
Ryan Scientific BB: 093-45355
Sphinx: BEN-1-0244
PubChem: 587766, 70292212, 17968853
SureChEMBL: SCHEMBL5898722...11 total

ref: mol2, SDF, SMILES, flexibase
1.03,-1.15,-7.17,2,3,0, 140.138, 1
2558109
 
#43

Alinda Building Blocks: ALBB-013787
Apexmol Building Blocks: AM804128
Ark Pharm Building Blocks: AK114475
BePharm Building Blocks: B98634
Chembo Pharma: KB-39673...28 total

ref: mol2, SDF, SMILES, flexibase
0.80,-1.24,-6.99,2,3,0, 140.138, 1
66325576
 
#44

Molport: MolPort-027-636-986
Apexmol Building Blocks: AM805237
Ark Pharm Building Blocks: AK140641
Bide Pharmatech BB: BD214214
BOC Sciences BB: 103440-55-7...16 total

ref: mol2, SDF, SMILES, flexibase
3.21,6.84,-6.97,0,2,0, 276.073, 2
16697668
 
#45

ChemMol: 44019393
Molport: MolPort-027-637-070
AK Scientific: 5347AA
Ark Pharm Building Blocks: AK112104
BePharm Building Blocks: B138268...19 total

ref: mol2, SDF, SMILES, flexibase
1.51,4.61,-11.49,0,4,0, 191.186, 3
19726876
 
#46

AK Scientific: 1231AB
Anward: ANW-64345
Ark Pharm Building Blocks: AK103928
BePharm Building Blocks: B235467
BOC Sciences BB: 221532-96-3...14 total

ref: mol2, SDF, SMILES, flexibase
3.03,7.58,-7.56,2,4,0, 290.407, 4

Similar to: 35856817, 38603597, 44135736,
16159634
 
#47

ChemMol: 2100860
AK Scientific: 3838AF
AKOS: AKOS015839404
Apollo Scientific: PC8602
Ark Pharm Building Blocks: AK156951...24 total

ref: mol2, SDF, SMILES, flexibase
3.41,8.23,-11.47,0,2,0, 227.238, 3

Similar to: 34675000, 38764905,
2586041
 
#48

ChemMol: 1200369, 30110065, 1031249, 44008969, 98002329, 1031412, 97806646
eMolecules: 892185
AK Scientific: X4274
Aldrich CPR: CDS000949|ALDRICH
Alfa-Aesar: L19893...60 total

ref: mol2, SDF, SMILES, flexibase
1.75,2.1,-9.22,1,2,0, 137.113, 0
167024
 
#49

ChemMol: 97806527, 98002813
eMolecules: 505219
AK Scientific: R201
Alfa-Aesar: A11064
Angene Building Blocks: AGN-PC-0JSB06...54 total

ref: mol2, SDF, SMILES, flexibase
1.82,4.24,-9.98,0,2,0, 151.14, 1

Similar to: 34381632,
59823812
 
#50

Sphinx: BEN-2-0150
Synblock: AB74313
Sphinx Make-on-demand: BEN-2-0150
PubChem: 20310685
SureChEMBL: SCHEMBL11601201...5 total

ref: mol2, SDF, SMILES, flexibase
2.58,7.01,-7.43,0,4,0, 287.109, 5
12957189
 
#51

ChemMol: 44022503
AK Scientific: W6901
AKOS: AKOS015835169
Alfa-Aesar: H64014
Angene Building Blocks: AGN-PC-0JTMZQ...37 total

ref: mol2, SDF, SMILES, flexibase
2.58,3.64,-2.76,2,1,0, 186.052, 0
1662481
 
#52

ChemMol: 44022510, 30115972
AK Scientific: W4552
Angene Building Blocks: AGN-PC-0JNZ17
Anward: ANW-24699
Apexmol Building Blocks: AM82854...35 total

ref: mol2, SDF, SMILES, flexibase
2.88,-1.1,-4.09,1,1,0, 187.036, 0

Similar to: 34426898, 34486289,
36438625
 
#53

AK Scientific: V5612
Anward: ANW-28841
Ark Pharm Building Blocks: AK-89962
BePharm Building Blocks: B237983
Chembo Pharma: KB-228619...17 total

ref: mol2, SDF, SMILES, flexibase
3.16,5.03,-4.48,0,1,0, 201.063, 1
20154486
 
#54

eMolecules: 32320517
AK Scientific: 2411AC
AKOS: AKOS000297436
Alinda Building Blocks: ALBB-017933
Ark Pharm Building Blocks: AK117494...25 total

ref: mol2, SDF, SMILES, flexibase
2.18,5.18,-9.55,0,3,0, 180.203, 3

Similar to: 34449451, 34564159, 38247039, 39040429, 39343002, ... 6 in total.
393249
 
#55

ChemMol: 44027515
AK Scientific: 7182AA
Aldrich CPR: S310824|ALDRICH
Anward: ANW-59223
Ark Pharm Building Blocks: AK-41932...21 total

ref: mol2, SDF, SMILES, flexibase
3.92,0.07,-2.27,0,1,0, 279.959, 1
35962234
 
#56

Rare Chemicals: APKR0035
Sphinx: BEN-2-0163
Sphinx Make-on-demand: BEN-2-0163
PubChem: 70566481, 11629652
SureChEMBL: SCHEMBL9113375...10 total

ref: mol2, SDF, SMILES, flexibase
2.65,4.23,-5.01,0,2,0, 164.204, 3
1602584
 
#57

ChemMol: 1034293
eMolecules: 526769
Molport: MolPort-000-871-251
Scientific Exchange (make on demand): F-262583
Acros Organics: 12567...76 total

ref: mol2, SDF, SMILES, flexibase
1.85,5.48,-9.91,0,2,0, 150.177, 2

Similar to: 38434263,
167042
 
#58

eMolecules: 519182
AK Scientific: V2413
AKOS: AKOS003306038
Alfa-Aesar: L08063
Alinda: IVK/1003089...43 total

ref: mol2, SDF, SMILES, flexibase
2.00,5.29,-9.81,0,2,0, 172.13, 2
2510741
 
#59

AK Scientific: Z1816
Alfa-Aesar: H32955
Apollo Scientific: PC0870
Ark Pharm Building Blocks: AK155973
Chembo Pharma: KB-78530...21 total

ref: mol2, SDF, SMILES, flexibase
1.89,4.59,-11.19,0,3,0, 184.166, 3

Similar to: 34590098, 38221267, 44200097, 44200633, 44200975, ... 7 in total.
4204196
 
#60

Sphinx: BEN-2-0178
SynInnova Labs BB: SI-014
Tyger Building Blocks: B64608
Sphinx Make-on-demand: BEN-2-0178
Bosche Scientific (Depleted): B14143...10 total

ref: mol2, SDF, SMILES, flexibase
3.42,-0.09,-5.14,2,2,0, 213.28, 3

Similar to: 32152636, 36669183, 43457057,
2524887
 
#61

ChemMol: 44004859, 1200676, 98002292
Acros Organics: 34746
Aldrich CPR: CDS003238|ALDRICH
Alfa-Aesar: L20142
Apexmol Building Blocks: AM61344...36 total

ref: mol2, SDF, SMILES, flexibase
3.29,1.2,-4.99,0,1,0, 237.455, 1
37495288
 
#62

AK Scientific: Z0854
Chembo Pharma: KB-58444
Combi-Blocks: OT-1502
Molport BB: MolPort-011-258-361
Ryan Scientific BB: 077-43075...13 total

ref: mol2, SDF, SMILES, flexibase
2.24,5.24,-7.56,0,3,0, 262.078, 2
2524871
 
#63

ChemMol: 98002310, 44024159
Molport: MolPort-001-773-351
AK Scientific: X8349
Aldrich CPR: SYX00307|ALDRICH
Alfa-Aesar: H62127...41 total

ref: mol2, SDF, SMILES, flexibase
2.74,5.66,-9.18,0,1,0, 217.037, 1
31893423
 
#64

ChemMol: 44500095, 44028834
AK Scientific: W4210
Alfa-Aesar: H61282
Angene Building Blocks: AGN-PC-03R5UF
Anward: ANW-23827...49 total

ref: mol2, SDF, SMILES, flexibase
2.74,5.57,-7.48,0,1,0, 217.037, 1

Similar to: 34976508, 34976805, 36180160, 36180163, 36180166, ... 6 in total.
2243375
 
#65

AK Scientific: 7784AB
Anward: ANW-63693
Apollo Scientific: PC8803
Ark Pharm Building Blocks: AK-76691
BePharm Building Blocks: B223124...22 total

ref: mol2, SDF, SMILES, flexibase
2.61,2.11,-8.04,0,1,0, 172.586, 1
72338571
 
#66

Molport: MolPort-021-877-754
AK Scientific: W9566
Alfa-Aesar: H62361
Angene Building Blocks: AGN-PC-0H0YMT
Anward: ANW-46204...25 total

ref: mol2, SDF, SMILES, flexibase
2.71,5.59,-6.31,0,1,0, 217.037, 1
407044
 
#67

ChemMol: 44014971
Acros Organics: 20904
AK Scientific: X0210
Alfa-Aesar: H66554
Angene Building Blocks: AGN-PC-0JLECH...41 total

ref: mol2, SDF, SMILES, flexibase
1.76,0.37,-4.49,3,2,0, 123.155, 0
403491
 
#68

ChemMol: 30101646, 1032111, 44002130
eMolecules: 517831
Molport: MolPort-001-579-435
Scientific Exchange (make on demand): M-230699
AKOS: AKOS000351376...64 total

ref: mol2, SDF, SMILES, flexibase
1.61,3.68,-6.09,2,3,0, 165.192, 2

Similar to: 38434114,
6455943
 
#69

eMolecules: 11487150
Molport: MolPort-008-383-595
Scientific Exchange (make on demand): F-310565
ChemBridge: 7842741
Mcule: MCULE-1577617601...13 total

ref: mol2, SDF, SMILES, flexibase
1.34,4.81,-9.42,1,4,0, 207.229, 3

Similar to: 37006912, 37006916, 37028079, 37028086, 37047319, ... 11 in total.
163982
 
#70

eMolecules: 877741
Molport: MolPort-000-884-015
Scientific Exchange (make on demand): Z-042761
AKOS: AKOS000281433
Ark Pharm Building Blocks: AK-58338...37 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.78,-9.08,1,2,0, 163.22, 1

Similar to: 34478657,
40571916
 
#71

Molport: MolPort-016-580-180
AK Scientific: Z1126
Alfa-Aesar: H52320
Chembo Pharma: KB-68236
Fluorochem: 043159...13 total

ref: mol2, SDF, SMILES, flexibase
2.72,4.86,-6.03,0,1,0, 221, 1
71864349
 
#72

Ark Pharm Building Blocks: AK167386
Chembo Pharma: KB-257374
Enamine Building Blocks: EN300-210691
Sphinx: BEN-2-0194
Tractus: TRA0063203...10 total

ref: mol2, SDF, SMILES, flexibase
2.37,4.25,-7.1,2,3,0, 244.088, 2
165589
 
#73

eMolecules: 727706
Molport: MolPort-001-774-955
Sphinx: BEN-2-0198
Sphinx Make-on-demand: BEN-2-0198
Apollo Scientific (Depleted): PC32448...12 total

ref: mol2, SDF, SMILES, flexibase
3.17,1.64,-4.87,1,4,0, 249.188, 5
1680023
 
#74

ChemMol: 44015173, 44015310
AK Scientific: P374, W5357
Aldrich CPR: PH009922|ALDRICH, CDS003448|ALDRICH
Angene Building Blocks: AGN-PC-0JRH6H, AGN-PC-0JL916
Anward: ANW-49984...63 total

ref: mol2, SDF, SMILES, flexibase
0.89,-3.13,-5.09,4,3,0, 125.127, 0
3631600
 
#75

ChemMol: 44031009, 30116098
AK Scientific: W3862
Anward: ANW-46767
Apexmol Building Blocks: AM20080605
APIChem: AC-23864...27 total

ref: mol2, SDF, SMILES, flexibase
1.46,0.48,-6.3,3,4,0, 167.164, 2

Similar to: 336007,
5765186
 
#76

AK Scientific: 6915AA
Aldrich CPR: T304107|ALDRICH
Angene Building Blocks: AGN-PC-0JLUZE
Anward: ANW-20652
Ark Pharm Building Blocks: AK107598...18 total

ref: mol2, SDF, SMILES, flexibase
2.32,3.66,-7.06,0,4,0, 208.213, 4

Similar to: 390992, 391263, 391265, 391268, 393348, ... 8 in total.
2558283
 
#77

eMolecules: 848384
Molport: MolPort-000-889-687
Scientific Exchange (make on demand): M-272315
AK Scientific: 2694AC, 2693AC, 0137AF
AKOS: AKOS000260017...40 total

ref: mol2, SDF, SMILES, flexibase
2.86,2.76,-8.82,0,2,0, 178.231, 4

Similar to: 34344684,
388035
 
#78

ChemMol: 1037629, 1036701, 30110372, 1037851, 44003369, 1202426, 98000712
eMolecules: 477514
Scientific Exchange (make on demand): F-405110
Acorn PharmaTech: ACN-S003778
Acros Organics: 27615...77 total

ref: mol2, SDF, SMILES, flexibase
1.96,3.12,-3.34,2,1,0, 125.146, 0
1841176
 
#79

Aldrich CPR: S629545|ALDRICH
EndoTherm: ENS134
Mcule: MCULE-8299575103
Sphinx: BEN-2-0225
Tetrahedron Building Blocks: TS63791...12 total

ref: mol2, SDF, SMILES, flexibase
2.69,-2.06,-19.91,2,4,0, 332.45, 5

Similar to: 33801897,
32170166
 
#80

Ark Pharm Building Blocks: AK-33845
Chembo Pharma: KB-228105
Lab Seeker Building Blocks: SC-34854
Molport BB: MolPort-009-198-835
Novochemy Building Blocks: NC-6461...13 total

ref: mol2, SDF, SMILES, flexibase
1.60,3.73,-6.78,2,3,0, 165.192, 2
35822898
 
#81

AK Scientific: W9880
AKOS: AKOS015890711
Angene Building Blocks: AGN-PC-00BOVT
Anward: ANW-41029
Ark Pharm Building Blocks: AK-29651...30 total

ref: mol2, SDF, SMILES, flexibase
2.93,6.37,-7.5,0,2,0, 229.073, 2
75847047
 
#82

Molport: MolPort-021-879-917
Molport BB: MolPort-021-879-917
Sphinx: BEN-2-0239
Sphinx Make-on-demand: BEN-2-0239
SureChEMBL: SCHEMBL14321234...6 total

ref: mol2, SDF, SMILES, flexibase
2.97,6.16,-4.76,0,1,0, 214.037, 0
35100412
 
#83

AK Scientific: Z0700
AKOS: AKOS007984240
Angene Building Blocks: AGN-PC-03CDPL
Anward: ANW-70985
Ark Pharm Building Blocks: AK104796...23 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.78,-6.55,0,2,0, 233.036, 2
34139909
 
#84

Sphinx: BEN-2-0506
Sphinx Make-on-demand: BEN-2-0506
Collaborative Drug Discovery: 957672
PubChem: 13737011
SureChEMBL: SCHEMBL1141313...7 total

ref: mol2, SDF, SMILES, flexibase
2.21,3.45,-4.17,2,2,0, 151.209, 2
2166821
 
#85

ChemMol: 1036905
Molport: MolPort-000-871-511
AK Scientific: Z2358
Anward: ANW-59477
Ark Pharm Building Blocks: AK-35491...45 total

ref: mol2, SDF, SMILES, flexibase
2.81,0.67,-2.49,2,1,0, 149.237, 1
34197327
 
#86

Ark Pharm Building Blocks: AK150269
Sphinx: BEN-2-0509
Sphinx Make-on-demand: BEN-2-0509
PubChem: 13959002
SureChEMBL: SCHEMBL10740519...5 total

ref: mol2, SDF, SMILES, flexibase
2.50,5.08,-2.67,2,1,0, 147.221, 1
34197323
 
#87

Sphinx: BEN-2-0510
Sphinx Make-on-demand: BEN-2-0510
PubChem: 13959000
SureChEMBL: SCHEMBL3072904
ref: mol2, SDF, SMILES, flexibase
1.92,2.34,-3.85,3,2,0, 165.236, 1
2568142
 
#88

ChemMol: 2000027, 1033206, 97801553, 30102995, 44002996, 96708067
Molport: MolPort-000-001-337
Acorn PharmaTech: ACN-S002246
AKOS: AKOS000301676
Alfa-Aesar: H26058...72 total

ref: mol2, SDF, SMILES, flexibase
1.53,1.86,-5.46,2,2,0, 142.589, 0
2526740
 
#89

Scientific Exchange (make on demand): M-897833
AK Scientific: N542
AKOS: AKOS003029072
Anward: ANW-40970
Apexmol Building Blocks: AM87512...32 total

ref: mol2, SDF, SMILES, flexibase
2.95,1.21,-5.35,1,3,0, 211.236, 3

Similar to: 36744319, 43474054, 44238867,
2583445
 
#90

ChemMol: 44012191, 98002222, 1034389, 30109265
AK Scientific: W3564
AKOS: AKOS015853622
Alfa-Aesar: B22691
Angene Building Blocks: AGN-PC-0KL29X...48 total

ref: mol2, SDF, SMILES, flexibase
3.33,0.71,-3.15,2,1,0, 287.022, 1
1602043
 
#91

Sphinx: BEN-2-0717
Sphinx Make-on-demand: BEN-2-0717
ChemDB: 5252517
PubChem: 349726
SureChEMBL: SCHEMBL14341400...6 total

ref: mol2, SDF, SMILES, flexibase
3.43,2.23,-3.14,0,2,0, 219.067, 2

Similar to: 2599128, 39123110, 39235892,
74934298
 
#92

Molport: MolPort-019-877-807
AK Scientific: Z9469
Angene Building Blocks: AGN-PC-0AC0VC
Anward: ANW-19116
Ark Pharm Building Blocks: AK-89219...17 total

ref: mol2, SDF, SMILES, flexibase
3.45,5.86,-3.67,0,1,0, 271.007, 2
133108
 
#93

eMolecules: 921772
Scientific Exchange (make on demand): Z-043036
ACT Chemical BB: ACT09865
AK Scientific: R995
AKOS: AKOS001337137...39 total

ref: mol2, SDF, SMILES, flexibase
2.85,4.72,-11.14,1,3,0, 207.273, 3

Similar to: 5284470,
389589
 
#94

ChemMol: 30112680, 44016109, 1033825, 1032235
eMolecules: 498845
Molport: MolPort-001-793-124
Acros Organics: 39841
AKOS: AKOS009157045...56 total

ref: mol2, SDF, SMILES, flexibase
1.55,0.4,-4.08,3,2,0, 123.155, 0
1746590
 
#95

ChemMol: 44017050
ACT Chemical BB: ACT09230
AK Scientific: V4503, W4410
AKOS: AKOS002678495
Alfa-Aesar: H51027...82 total

ref: mol2, SDF, SMILES, flexibase
2.79,-0.31,-4.26,2,1,0, 169.227, 1

Similar to: 6116760, 1257365, 1257867,
6744425
 
#96

Sphinx: BEN-3-0119
Sphinx Make-on-demand: BEN-3-0119
PubChem: 5277318
SureChEMBL: SCHEMBL3428162
ref: mol2, SDF, SMILES, flexibase
2.75,-2.35,-14.33,3,2,0, 228.32, 3
34331910
 
#97

AK Scientific: 2373AA
Angene Building Blocks: AGN-PC-0020V0
Ark Pharm Building Blocks: AK109872
BePharm Building Blocks: B224066
Chembo Pharma: KB-252989...19 total

ref: mol2, SDF, SMILES, flexibase
2.66,6.64,-5.57,0,2,0, 182.194, 3

Similar to: 21299627,
26894744
 
#98

ChemMol: 97802796, 44028514
eMolecules: 31236074
Molport: MolPort-009-019-947
Acorn PharmaTech: ACN-000235
ACT Chemical BB: ACT00613...43 total

ref: mol2, SDF, SMILES, flexibase
2.96,6.32,-4.09,0,2,0, 229.073, 2

Similar to: 32264133, 2599125,
4271898
 
#99

ChemMol: 44006300, 30108220, 97806206, 42305348, 44022000
eMolecules: 476483
Scientific Exchange (make on demand): K-042041
Acros Organics: 41395, TL00154
AK Scientific: W6355...96 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.02,-6.62,2,3,0, 151.165, 2

Similar to: 38434114,
13519972
 
#100

eMolecules: 1811023
Molport: MolPort-001-010-484
Scientific Exchange (make on demand): M-959083
AKOS: AKOS000368391
Ark Pharm Building Blocks: AK-78398...33 total

ref: mol2, SDF, SMILES, flexibase
1.12,4.02,-20,3,4,0, 210.258, 4

Similar to: 5896096,

Old detail retrieval took 3 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 = 706 ) limit 0,100

Smiles were