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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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160980
 
#1

ChemMol: 44021436, 97804621
AK Scientific: Y8177
BioSynth: W-206519
Chembo Pharma: KB-253307
Enamine Building Blocks: EN300-127322...30 total

ref: mol2, SDF, SMILES, flexibase
1.81,1.57,-7.08,0,5,0, 253.689, 3

Similar to: 34485594, 34535734,
153548
 
#2

eMolecules: 721407
AK Scientific: HTS028056, Y4429
AKOS: AKOS015994418
Chembo Pharma: KB-92648, KB-164710
FineTech: FT-0610784...23 total

ref: mol2, SDF, SMILES, flexibase
2.31,-1.5,-11.95,0,3,0, 250.106, 2

Similar to: 32237759,
2555845
 
#3

eMolecules: 927566
Chembo Pharma: KB-176875
FineTech: FT-0613510
Maybridge: RDP00135
Maybridge Building Blocks: RDP00135...14 total

ref: mol2, SDF, SMILES, flexibase
0.07,1.55,-6.13,1,5,0, 184.195, 4
105383
 
#4

eMolecules: 722564
AK Scientific: 3432AF
AKOS: AKOS000267932
Chembo Pharma: KB-66904
ChemBridge: 6430934...35 total

ref: mol2, SDF, SMILES, flexibase
3.85,2.24,-8.41,0,2,0, 276.133, 2

Similar to: 39233921, 39281269,
2506126
 
#5

Acros Organics: CC03308
AK Scientific: Y8770
Chembo Pharma: KB-66928
FineTech: FT-0608735
Maybridge Building Blocks: CC03308...13 total

ref: mol2, SDF, SMILES, flexibase
4.08,8.07,-9.32,0,3,0, 350.237, 3

Similar to: 38423278,
5687162
 
#6

eMolecules: 727378
Scientific Exchange (make on demand): POD_74/0190
AK Scientific: Y9320
AKOS: AKOS000291369
Chembo Pharma: KB-28387...29 total

ref: mol2, SDF, SMILES, flexibase
1.09,2.63,-9.96,1,4,0, 164.164, 0

Similar to: 34592447,
85155
 
#7

eMolecules: 726831
AK Scientific: X0061
Anward: ANW-44259
Ark Pharm Building Blocks: AK-92971
BePharm Building Blocks: B55520...21 total

ref: mol2, SDF, SMILES, flexibase
3.18,1.35,-7.26,0,1,0, 229.106, 2

Similar to: 39246459, 39246461,
85152
 
#8

eMolecules: 726831
AK Scientific: X0061
Anward: ANW-44259
Ark Pharm Building Blocks: AK-92971
BePharm Building Blocks: B55520...21 total

ref: mol2, SDF, SMILES, flexibase
3.18,1.42,-7.9,0,1,0, 229.106, 2

Similar to: 39246459, 39246461,
156843
 
#9

eMolecules: 4336885
AK Scientific: Y7316
BioSynth: W-205208
Chembo Pharma: KB-66668
FineTech: FT-0608363...17 total

ref: mol2, SDF, SMILES, flexibase
1.74,-5.72,-12.04,3,4,0, 271.345, 2
4271744
 
#10

ChemMol: 1030879
eMolecules: 720724
AK Scientific: Y8930
Bosche Scientific: D8138
Capot Chemical: 7033...25 total

ref: mol2, SDF, SMILES, flexibase
2.09,-1.19,-5.66,1,2,0, 178.231, 1

Similar to: 34425900, 34425901,
4277333
 
#11

ChemMol: 44021252
AK Scientific: Y4229
Aldrich CPR: CDS015734|ALDRICH
Anward: ANW-53171
Ark Pharm Building Blocks: AK-36545...21 total

ref: mol2, SDF, SMILES, flexibase
2.29,0.16,-9.68,0,5,0, 310.419, 4
12370602
 
#12

Acros Organics: CC58706
Chembo Pharma: KB-88148
Molport BB: MolPort-000-143-804
Ryan Scientific: 000-59741
Ryan Scientific BB: 047-58711...12 total

ref: mol2, SDF, SMILES, flexibase
1.84,2.36,-3.31,0,3,0, 174.203, 1
12370870
 
#13

AK Scientific: 7758AA
AKOS: AKOS015850534
Aldrich CPR: SYX00147|ALDRICH
Anward: ANW-56286
Ark Pharm Building Blocks: AK-24903...30 total

ref: mol2, SDF, SMILES, flexibase
2.41,0.21,-7.9,0,3,0, 202.044, 1
mid: mol2, SDF, SMILES, flexibase
2.41,0.39,-32.52,1,3,1, 203.052, 1
2870344
 
#14

eMolecules: 10800745
Molport: MolPort-003-005-526
AKOS: AKOS005439494
Mcule: MCULE-8661061835
Ryan Scientific: 001-41717...12 total

ref: mol2, SDF, SMILES, flexibase
3.12,-6.12,-16.99,1,7,0, 386.458, 4
hi: mol2, SDF, SMILES, flexibase
3.12,-5.56,-55.05,0,7,-1, 385.45, 4
36425
 
#15

eMolecules: 18593980
Scientific Exchange (make on demand): Z-006440
AK Scientific: 1745AC, X5308
AKOS: AKOS002936396
Alfa-Aesar: A14721...45 total

ref: mol2, SDF, SMILES, flexibase
2.55,2.72,-6.11,0,3,0, 163.176, 2

Similar to: 1703061, 6167748, 12368774, 31671510, 38434212, ... 5 in total.
22028678
 
#16

eMolecules: 721485
AK Scientific: Y7976
Aldrich CPR: CDS014965|ALDRICH
Ark Pharm Building Blocks: AK-60445
BioSynth: W-206198...22 total

ref: mol2, SDF, SMILES, flexibase
-2.12,-0.98,-45.07,4,5,1, 173.24, 1
hi: mol2, SDF, SMILES, flexibase
-2.12,-3.36,-10.41,3,5,0, 172.232, 1
158966
 
#17

eMolecules: 720594
AK Scientific: Y9994
Ark Pharm Building Blocks: AK123807
Chembo Pharma: KB-69746
Enamine Building Blocks: EN300-26647...42 total

ref: mol2, SDF, SMILES, flexibase
2.02,0.88,-52.48,0,3,-1, 192.219, 2

Similar to: 42784466,
4271679
 
#18

eMolecules: 726478
AK Scientific: Y4173
AKOS: AKOS000674491
Aldrich CPR: CDS014613|ALDRICH
Chembo Pharma: KB-39869...36 total

ref: mol2, SDF, SMILES, flexibase
1.80,4.76,-48.57,0,3,-1, 180.208, 1

Similar to: 39392195,
3904273
 
#19

eMolecules: 1161434
Molport: MolPort-005-972-792
AKOS: AKOS001698638
ChemDiv: 5756-0399
Enamine: Z47754194...20 total

ref: mol2, SDF, SMILES, flexibase
1.83,3.72,-11.73,2,8,0, 350.371, 8
lo: mol2, SDF, SMILES, flexibase
1.46,1.78,-40.56,3,8,1, 351.379, 8

Similar to: 4426819, 4426820,
3904275
 
#20

eMolecules: 1161434
Molport: MolPort-005-972-792
AKOS: AKOS001698638
ChemDiv: 5756-0399
Enamine: Z47754194...20 total

ref: mol2, SDF, SMILES, flexibase
1.83,3.68,-13.1,2,8,0, 350.371, 8
lo: mol2, SDF, SMILES, flexibase
1.46,1.24,-37.2,3,8,1, 351.379, 8

Similar to: 4426819, 4426820,
13113973
 
#21

eMolecules: 26479941
Molport: MolPort-002-895-467
Scientific Exchange (make on demand): H-072560
Maybridge: CD04975
Ryan Scientific: 025-17423...19 total

ref: mol2, SDF, SMILES, flexibase
2.62,4.06,-14.12,3,4,0, 238.703, 3
mid: mol2, SDF, SMILES, flexibase
3.70,4.29,-36.23,2,4,-1, 237.695, 3
mid: mol2, SDF, SMILES, flexibase
3.70,4.24,-36.92,2,4,-1, 237.695, 3
mid: mol2, SDF, SMILES, flexibase
3.70,4.18,-33.55,2,4,-1, 237.695, 3
mid: mol2, SDF, SMILES, flexibase
3.70,4.19,-32.48,2,4,-1, 237.695, 3
141272
 
#22

eMolecules: 5806889
Molport: MolPort-001-794-754
Chemstep: 59084
Maybridge: CD09751
Maybridge Hit Finder: CD09751...9 total

ref: mol2, SDF, SMILES, flexibase
3.07,1.18,-10.17,1,2,0, 208.211, 2

Similar to: 34956906, 39366586,
15923386
 
#23

eMolecules: 26484849
Molport: MolPort-002-899-671
Maybridge: GK03544
Ryan Scientific: 025-22570
BindingDB.org: 94030...12 total

ref: mol2, SDF, SMILES, flexibase
2.20,7.26,-10.52,2,7,0, 324.388, 4
153542
 
#24

eMolecules: 1030879
Molport: MolPort-001-808-183
Maybridge: HTS06698
Maybridge Hit Finder: HTS06698
Ryan Scientific: 025-26960...14 total

ref: mol2, SDF, SMILES, flexibase
1.01,1.24,-15.27,2,5,0, 268.338, 3
153539
 
#25

eMolecules: 1030879
Molport: MolPort-001-808-183
Maybridge: HTS06698
Maybridge Hit Finder: HTS06698
Ryan Scientific: 025-26960...13 total

ref: mol2, SDF, SMILES, flexibase
1.01,0.84,-12.78,2,5,0, 268.338, 3
172329
 
#26

eMolecules: 207081686
Molport: MolPort-002-865-299
American Custom Chemicals Corp.: CHM0134493
KeyOrganics: 3K-048
Maybridge: MWP00405...11 total

ref: mol2, SDF, SMILES, flexibase
3.25,1.34,-8.75,0,2,0, 245.347, 3

Similar to: 12367520,
77081
 
#27

eMolecules: 5781151
Molport: MolPort-002-913-670
Maybridge: RF03420
Ryan Scientific: 025-45395
BindingDB.org: 50162505...11 total

ref: mol2, SDF, SMILES, flexibase
2.89,3.99,-10.44,1,4,0, 263.727, 2
12368153
 
#28

eMolecules: 5781151
Molport: MolPort-002-913-670
Maybridge: RF03420
Ryan Scientific: 025-45395
BindingDB.org: 50162505...11 total

ref: mol2, SDF, SMILES, flexibase
2.89,-2.15,-10.22,1,4,0, 263.727, 2
96903510
 
#29

eMolecules: 25790117, 23040238
ChemBridge: 5475440
ChemDiv: 4466-0038
IBScreen: STOCK3S-07697
Maybridge: RJC03603...11 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.52,-4.45,1,3,0, 294.398, 2
96903511
 
#30

eMolecules: 25790117, 23040238
ChemBridge: 5475440
ChemDiv: 4466-0038
IBScreen: STOCK3S-07697
Maybridge: RJC03603...11 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.47,-4.2,1,3,0, 294.398, 2
1045046
 
#31

eMolecules: 1316753
AKOS: AKOS000297111
Aldrich CPR: S676969|ALDRICH
Asinex: BAS01181223
ChemDiv BuildingBlocks: BB52-0803...33 total

ref: mol2, SDF, SMILES, flexibase
1.11,5.07,-9.03,0,3,0, 213.283, 2
4394996
 
#32

eMolecules: 5823947
Molport: MolPort-002-927-032
Maybridge: SPB08254
Ryan Scientific: 025-62589
Otava (Virtual): 5416619...7 total

ref: mol2, SDF, SMILES, flexibase
3.72,1.3,-14.02,1,4,0, 339.313, 7

Similar to: 4977052, 21837708, 31358822,
18249479
 
#33

eMolecules: 833189
Scientific Exchange (make on demand): M-167362
AKOS: AKOS000270246
Alinda Building Blocks: ALBB-022047
ChemDiv BuildingBlocks: BB57-3471...32 total

ref: mol2, SDF, SMILES, flexibase
2.53,8.48,-7.63,3,6,0, 279.731, 5
95913212
 
#34

Ryan Scientific: 048-04224
Ryan Scientific BB: 093-61518
ref: mol2, SDF, SMILES, flexibase
2.04,1.86,-5.98,2,3,0, 231.295, 2
mid: mol2, SDF, SMILES, flexibase
2.04,4.32,-42.12,3,3,1, 232.303, 2
95913213
 
#35

Ryan Scientific: 048-04224
Ryan Scientific BB: 093-61518
ref: mol2, SDF, SMILES, flexibase
2.04,1.83,-6.1,2,3,0, 231.295, 2
mid: mol2, SDF, SMILES, flexibase
2.04,4.32,-41.81,3,3,1, 232.303, 2
31414250
 
#36

Ryan Scientific: 048-04228
Ryan Scientific BB: 093-61522
SureChEMBL: SCHEMBL5309314
ref: mol2, SDF, SMILES, flexibase
2.80,6.72,-3.19,0,1,0, 199.297, 2
mid: mol2, SDF, SMILES, flexibase
2.80,9.18,-36.68,1,1,1, 200.305, 2
31414253
 
#37

Ryan Scientific: 048-04228
Ryan Scientific BB: 093-61522
SureChEMBL: SCHEMBL5309314
ref: mol2, SDF, SMILES, flexibase
2.80,6.7,-3.23,0,1,0, 199.297, 2
mid: mol2, SDF, SMILES, flexibase
2.80,9.17,-36.68,1,1,1, 200.305, 2
22064446
 
#38

ChemMol: 44027346
Amadis Chemical: A847235
Ryan Scientific: 048-04273
Ryan Scientific BB: 093-61567
Toronto Research Chemicals: N379802...44 total

ref: mol2, SDF, SMILES, flexibase
2.64,3.08,-8.58,1,3,0, 247.338, 2

Similar to: 22064449, 26824949, 26828104, 26828112, 29392107, ... 12 in total.
25726114
 
#39

Ark Pharm Building Blocks: AK109380, AK164058
BePharm Building Blocks: B43147
Bide Pharmatech BB: BD43147
Chembo Pharma: KB-277078
Molport BB: MolPort-027-835-110...39 total

ref: mol2, SDF, SMILES, flexibase
2.00,1.22,-5.81,1,4,0, 249.31, 2

Similar to: 36672976, 36672977, 36672978, 36672979, 36673136, ... 16 in total.
26729865
 
#40

ChemMol: 97900128
Active BioPharma: 216
Ryan Scientific: 048-04276
Ryan Scientific BB: 093-61570
Selleck Chemicals: S2168...24 total

ref: mol2, SDF, SMILES, flexibase
2.00,1.06,-8.85,1,4,0, 249.31, 2

Similar to: 36672976, 36672977, 36672978, 36672979, 36673136, ... 16 in total.
52541473
 
#41

ChemMol: 97900101
Active BioPharma: 181
AK Scientific: Y0235, X7593
American Custom Chemicals Corp.: CHM0034851
Chembo Pharma: KB-81481...70 total

ref: mol2, SDF, SMILES, flexibase
4.38,11.38,-13.41,0,6,0, 422.573, 7

Similar to: 31996590, 31996540, 31996537, 31977074, 31977075, ... 8 in total.
13804934
 
#42

ChemMol: 97900259
Active BioPharma: 412
Ryan Scientific: 048-04289
Ryan Scientific BB: 093-61583
BindingDB.org: 50084855...13 total

ref: mol2, SDF, SMILES, flexibase
4.10,9.23,-13.26,1,6,0, 408.546, 6

Similar to: 31977075, 31996537, 31996540, 38575831, 38575834, ... 5 in total.
64725931
 
#43

ChemMol: 97900812, 97900193
Active BioPharma: 1674, 334
Ark Pharm Building Blocks: AK-58455
BOC Sciences BB: 135721-98-1
Ryan Scientific: 048-04290...30 total

ref: mol2, SDF, SMILES, flexibase
4.11,9.03,-12.53,1,5,0, 407.489, 6
22002214
 
#44

ChemMol: 44007154, 97900077, 30113273, 30116015
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-22611...111 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.34,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,7.04,-48.98,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
22002218
 
#45

ChemMol: 44007154, 97900077, 30113273, 30116015
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-7052...115 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.35,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,6.82,-50.27,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
1547851
 
#46

ChemMol: 30104191, 97900095, 44003800
Molport: MolPort-003-848-377
Active BioPharma: 173
AK Scientific: R856
AKOS: AKOS015841981...126 total

ref: mol2, SDF, SMILES, flexibase
0.23,1.97,-16.36,2,4,0, 170.212, 3

Similar to: 3830990,
3830990
 
#47

AK Scientific: R856, X6700
AKOS: AKOS005066190
Aldrich CPR: L127760|ALDRICH
BePharm Building Blocks: B17319
Element Store BB: b2star-33996-58-6...53 total

ref: mol2, SDF, SMILES, flexibase
0.23,2,-16.44,2,4,0, 170.212, 3

Similar to: 1547851,
839816
 
#48

ChemMol: 97900049, 97900174
Active BioPharma: 100, 281
Ryan Scientific: 048-04311
Ryan Scientific BB: 093-61608
BindingDB.org: 50426567...28 total

ref: mol2, SDF, SMILES, flexibase
4.38,2.86,-8.57,1,3,0, 359.706, 3

Similar to: 3938674, 34042179, 34042180, 34043261, 34228016, ... 22 in total.
1539133
 
#49

ChemMol: 97900141
Active BioPharma: 236
Element Store BB: b2star-157286-86-7
Ryan Scientific: 048-04314
Ryan Scientific BB: 093-61611...30 total

ref: mol2, SDF, SMILES, flexibase
6.02,2.73,-7.89,0,4,0, 364.537, 6

Similar to: 1539134, 1539135, 1539137, 1539138, 1539139, ... 22 in total.
1910234
 
#50

ChemMol: 97900118
Active BioPharma: 204
AK Scientific: X3440
Chembo Pharma: KB-80585
Molport BB: MolPort-003-983-806...37 total

ref: mol2, SDF, SMILES, flexibase
3.06,6.95,-11.64,4,3,0, 335.354, 4
lo: mol2, SDF, SMILES, flexibase
3.06,6.73,-38.57,5,3,1, 336.362, 4
1546066
 
#51

ChemMol: 44005993, 30107529, 2101367, 44005992, 97900130, 30107530
Molport: MolPort-003-850-391
Acorn PharmaTech: ACN-S001817
Active BioPharma: 219
AK Scientific: M375...212 total

ref: mol2, SDF, SMILES, flexibase
2.80,9.59,-15.77,1,7,0, 393.443, 10

Similar to: 1554105, 22065493, 33999342, 34613779, 34891903, ... 10 in total.
3939511
 
#52

ChemMol: 97900160
Active BioPharma: 261
AK Scientific: Y0254
Element Store BB: b2star-660868-91-7
Ryan Scientific: 048-04328...28 total

ref: mol2, SDF, SMILES, flexibase
4.09,0.74,-14.76,2,7,0, 477.464, 8
1491879
 
#53

ChemMol: 97900161
Active BioPharma: 268
Ryan Scientific: 048-04329
Ryan Scientific BB: 093-61626
Alfa Chemistry (Depleted): ACM475466570...7 total

ref: mol2, SDF, SMILES, flexibase
5.15,2.75,-19.1,0,6,0, 463.622, 10
mid: mol2, SDF, SMILES, flexibase
5.15,2.9,-33.24,1,6,1, 464.63, 10
3817750
 
#54

ChemMol: 97900209, 97900240
Active BioPharma: 390, 351
American Custom Chemicals Corp.: API0004737
Chembo Pharma: KB-75004
MedChem Express: HY-10595...28 total

ref: mol2, SDF, SMILES, flexibase
3.16,-3.81,-19.89,1,5,0, 378.519, 6

Similar to: 3960566, 3962568, 34661594, 35861776, 35879367, ... 22 in total.
28120141
 
#55

ChemMol: 97900239, 97900209
Active BioPharma: 389, 351
American Custom Chemicals Corp.: API0004736
Ryan Scientific: 048-04330, 048-04524
Ryan Scientific BB: 093-61821...19 total

ref: mol2, SDF, SMILES, flexibase
3.16,6.77,-24.34,1,5,0, 378.519, 6

Similar to: 34661594, 38211400, 38211401, 38254057, 38428964, ... 20 in total.
3875028
 
#56

ChemMol: 97900211
Molport: MolPort-003-959-609
Active BioPharma: 353
Cayman Chemical: 13338
Fluorochem: M02518...30 total

ref: mol2, SDF, SMILES, flexibase
2.75,5.22,-14.78,2,6,0, 371.462, 3

Similar to: 37858269, 38238505, 38410880,
602675
 
#57

ChemMol: 97900212
Active BioPharma: 354
Ryan Scientific: 048-04333
Ryan Scientific BB: 093-61630
Sigma Aldrich (Building Blocks): PZ0142|SIGMA...20 total

ref: mol2, SDF, SMILES, flexibase
5.84,1.65,-12.56,1,5,0, 429.282, 3
19796155
 
#58

ChemMol: 30101986, 44002342, 97900006
eMolecules: 36635336
Molport: MolPort-001-728-041
Active BioPharma: 32
AK Scientific: H482...119 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.55,-7.08,1,4,0, 326.831, 1
mid: mol2, SDF, SMILES, flexibase
4.14,11.23,-89.99,3,4,2, 328.847, 1
mid: mol2, SDF, SMILES, flexibase
4.14,9.89,-42.06,2,4,1, 327.839, 1
hi: mol2, SDF, SMILES, flexibase
4.14,8.88,-23.43,2,4,1, 327.839, 1
lo: mol2, SDF, SMILES, flexibase
4.14,11.17,-19.71,4,4,0, 329.855, 1

Similar to: 31880687, 32131087, 32131089, 34450909, 34539532, ... 18 in total.
25973757
 
#59

ChemMol: 97900079
Active BioPharma: 146
Ryan Scientific: 048-04343
Ryan Scientific BB: 093-61640
Alfa Chemistry (Depleted): ACM1977088...15 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.56,-6.67,1,4,0, 326.831, 1

Similar to: 34553093, 34553095, 34585557, 34652392, 34656451, ... 5 in total.
13775875
 
#60

ChemMol: 97900217
Active BioPharma: 359
Ryan Scientific: 048-04347
Ryan Scientific BB: 093-61644
BindingDB.org: 50061557...9 total

ref: mol2, SDF, SMILES, flexibase
2.99,4.17,-9.14,2,5,0, 308.385, 1
mid: mol2, SDF, SMILES, flexibase
2.99,6.51,-43.67,3,5,1, 309.393, 1

Similar to: 34450909, 53150509, 5850808, 5939471, ... 4 in total.
13775874
 
#61

ChemMol: 97900218
Active BioPharma: 360
Ryan Scientific: 048-04348
Ryan Scientific BB: 093-61645
BindingDB.org: 50061556...10 total

ref: mol2, SDF, SMILES, flexibase
2.99,4.15,-11.62,2,5,0, 308.385, 1

Similar to: 5939508, 5939756,
22358298
 
#62

ChemMol: 97900094
Active BioPharma: 172
Ryan Scientific: 048-04362
Ryan Scientific BB: 093-61659
BindingDB.org: 50205425...10 total

ref: mol2, SDF, SMILES, flexibase
3.97,10.69,-19.49,1,9,0, 487.56, 6

Similar to: 38227873,
22358301
 
#63

ChemMol: 97900094
Active BioPharma: 172
Ryan Scientific: 048-04362
Ryan Scientific BB: 093-61659
BindingDB.org: 50205425...10 total

ref: mol2, SDF, SMILES, flexibase
3.97,10.83,-19.72,1,9,0, 487.56, 6
3983936
 
#64

ChemMol: 44006067, 30107685
American Custom Chemicals Corp.: API0002723
APIChem: AC-2069
Ark Pharm Building Blocks: AK124363
Bide Pharmatech BB: BD130485...82 total

ref: mol2, SDF, SMILES, flexibase
2.07,4.02,-18.34,3,5,0, 410.457, 2

Similar to: 3983937, 3983938, 4655120, 4655121, 4655122, ... 41 in total.
1547848
 
#65

ChemMol: 97900180
Active BioPharma: 289
Ryan Scientific: 048-04374
Ryan Scientific BB: 093-61671
ChEMBL DrugStore: CHEMBL1922282...10 total

ref: mol2, SDF, SMILES, flexibase
3.71,-6.26,-17.46,3,8,0, 443.264, 5
13985934
 
#66

ChemMol: 97900220
Active BioPharma: 363
Ryan Scientific: 048-04375
Ryan Scientific BB: 093-61672
Tractus: TRA0150645...13 total

ref: mol2, SDF, SMILES, flexibase
3.44,9.33,-15.14,1,5,0, 429.923, 5

Similar to: 38211643, 38239364, 38431969, 38517167, 38800952, ... 6 in total.
3875976
 
#67

AKOS: AKOS015896917, AKOS015995296
American Custom Chemicals Corp.: NUC0000873, NUC0000590
Angene Building Blocks: AGN-PC-0O3DAJ
Ark Pharm Building Blocks: AK-49403, AK162586
BePharm Building Blocks: B8046...77 total

ref: mol2, SDF, SMILES, flexibase
0.14,-4.58,-14.68,5,9,0, 301.69, 2

Similar to: 4475112, 4536052, 4536053, 4536054, 4536057, ... 7 in total.
602639
 
#68

ChemMol: 97900107
Active BioPharma: 188
Ryan Scientific: 048-04389
Ryan Scientific BB: 093-61686
Alfa Chemistry (Depleted): ACM205881863...8 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.85,-15.4,0,5,0, 389.43, 2

Similar to: 2465434, 2465437, 2465446, 2465448, 2465461, ... 9 in total.
602652
 
#69

ChemMol: 97900137
Active BioPharma: 226
Chembo Pharma: KB-274256
Ryan Scientific: 048-04390
Ryan Scientific BB: 093-61687...23 total

ref: mol2, SDF, SMILES, flexibase
3.66,3.45,-13.06,0,8,0, 399.405, 5

Similar to: 3991661, 34570711,
19632839
 
#70

ChemMol: 97900005
Acorn PharmaTech: ACN-S002478, ACN-S002477
Active BioPharma: 31
BioSynth: W-106239
IBScreen Bioactives: Bio-0528...125 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.33,-15.82,0,9,0, 388.815, 3

Similar to: 38432739, 38512417, 38558982, 38558983, 38559579, ... 18 in total.
19632834
 
#71

ChemMol: 97602995, 30111014, 30104584, 97900005, 44004116, 2100002
Molport: MolPort-002-885-823
Acorn PharmaTech: ACN-S002478, ACN-S002477
Active BioPharma: 31
AKOS: AKOS015895596...195 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.34,-16.14,0,9,0, 388.815, 3

Similar to: 38432739, 38512417, 38558982, 38558983, 38559579, ... 18 in total.
19537374
 
#72

ChemMol: 97900050, 30108771, 97901141, 44000905
eMolecules: 1254510
Molport: MolPort-001-900-168
Active BioPharma: 101, 2396
AK Scientific: R416...90 total

ref: mol2, SDF, SMILES, flexibase
1.93,7.01,-9.97,0,6,0, 298.346, 3

Similar to: 31554142, 31554144, 31554150, 31554200, 31570634, ... 12 in total.
3870481
 
#73

ChemMol: 97900002
Active BioPharma: 25
Molport BB: MolPort-003-940-598
Ryan Scientific: 048-04401
Ryan Scientific BB: 093-61698...49 total

ref: mol2, SDF, SMILES, flexibase
5.46,12.38,-10.59,0,3,0, 352.865, 4

Similar to: 38289506, 39134220, 39134221, 39134222, ... 4 in total.
3870482
 
#74

ChemMol: 97900002
Active BioPharma: 25
Molport BB: MolPort-003-940-598
Ryan Scientific: 048-04401
Ryan Scientific BB: 093-61698...50 total

ref: mol2, SDF, SMILES, flexibase
5.46,12.38,-10.5,0,3,0, 352.865, 4

Similar to: 38289506, 39134220, 39134221, 39134222, ... 4 in total.
2000919
 
#75

ChemMol: 97900016, 97900093
Molport: MolPort-000-860-686, MolPort-003-983-800
Active BioPharma: 169, 53
AF ChemPharm: CP-1162
AK Scientific: X5034...100 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.44,-11.23,1,4,0, 275.348, 4

Similar to: 3952678, 3964432, 34041422, 34041423, 34042492, ... 19 in total.
4982
 
#76

ChemMol: 97900016, 30114515, 97900092
Molport: MolPort-000-860-686
Active BioPharma: 53, 168
AF ChemPharm: CP-1162
AK Scientific: P623...114 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.43,-11.26,1,4,0, 275.348, 4

Similar to: 22479, 2000919, 3952678, 60067825, 60067826, ... 5 in total.
9230249
 
#77

ChemMol: 97900032
Active BioPharma: 75
Element Store BB: b2star-101975-10-4
Molport BB: MolPort-003-960-230
Prestwick Chemical: Prestw-977...44 total

ref: mol2, SDF, SMILES, flexibase
1.95,3.07,-12.5,1,5,0, 268.219, 4
hi: mol2, SDF, SMILES, flexibase
2.40,1.22,-48.8,0,5,-1, 267.211, 4

Similar to: 28474886,
2379524
 
#78

ChemMol: 97900072
Active BioPharma: 129
BOC Sciences BB: 178616-26-7
Chembo Pharma: KB-147109
Molport BB: MolPort-003-983-534...21 total

ref: mol2, SDF, SMILES, flexibase
1.21,3.46,-10.52,3,6,0, 311.341, 3

Similar to: 34548903, 38462888,
1540228
 
#79

ChemMol: 30104416, 2100014, 97900102, 30115222, 44003975
eMolecules: 2728948
Molport: MolPort-003-850-185, MolPort-005-973-080
Active BioPharma: 183
AK Scientific: H760...168 total

ref: mol2, SDF, SMILES, flexibase
5.22,12.29,-7.95,1,5,0, 463.796, 4

Similar to: 1545602, 13472873, 34663431, 35851090, 38270386, ... 8 in total.
2581406
 
#80

AK Scientific: Y0463
Apexmol Building Blocks: AM81262
BOC Sciences BB: 219911-35-0
Chembo Pharma: KB-78955, KB-45743
Element Store BB: b2star-96206-92-7...60 total

ref: mol2, SDF, SMILES, flexibase
2.25,8.42,-8.71,0,1,0, 193.249, 0

Similar to: 34428737, 34528113, 38265706, 39255990, ... 4 in total.
1420826
 
#81

ChemMol: 97900021
Molport: MolPort-000-005-902
Active BioPharma: 61
AK Scientific: X7398
AKOS: AKOS015995212...57 total

ref: mol2, SDF, SMILES, flexibase
3.18,5.85,-10.31,2,4,0, 267.284, 2
13121898
 
#82

ChemMol: 97900098
Active BioPharma: 178
Chembo Pharma: KB-59946
Molport BB: MolPort-003-983-795
Ryan Scientific: 048-04424...21 total

ref: mol2, SDF, SMILES, flexibase
4.80,5.69,-11.03,3,5,0, 386.451, 5
mid: mol2, SDF, SMILES, flexibase
4.80,6.05,-29.22,4,5,1, 387.459, 5
2383130
 
#83

Cayman Chemical: 10008842
Element Store BB: b2star-1428-67-7
Molport BB: MolPort-003-983-761
Ryan Scientific: 048-04425
Ryan Scientific BB: 093-61722...30 total

ref: mol2, SDF, SMILES, flexibase
3.01,4.01,-12.02,2,3,0, 239.274, 3

Similar to: 3995935, 13470334, 13470335, 13470336, 13674162, ... 10 in total.
3995935
 
#84

Cayman Chemical: 10008842
Element Store BB: b2star-1428-67-7
Molport BB: MolPort-003-983-761
Ryan Scientific: 048-04425
Ryan Scientific BB: 093-61722...27 total

ref: mol2, SDF, SMILES, flexibase
3.01,-0.62,-12.03,2,3,0, 239.274, 3

Similar to: 13470334, 13470335, 13470336, 13674162, 16931741, ... 10 in total.
13452167
 
#85

ChemMol: 97900099, 30111166, 44008204
Molport: MolPort-003-846-012
TCM Database @ Taiwan: 28923
Active BioPharma: 179
AK Scientific: Y0443...74 total

ref: mol2, SDF, SMILES, flexibase
3.47,5.32,-10.67,1,5,0, 316.353, 6
4097406
 
#86

ChemMol: 97900037
TCM Database @ Taiwan: tcm03_001140
Active BioPharma: 85
American Custom Chemicals Corp.: API0001831
Ryan Scientific: 048-04427...52 total

ref: mol2, SDF, SMILES, flexibase
7.14,0.62,-3.91,2,2,0, 314.469, 6

Similar to: 4097407, 5820248, 5821075, 5844406, 5844413, ... 13 in total.
2383092
 
#87

Cayman Chemical: 10004259, 10009523
Molport BB: MolPort-003-983-503
Ryan Scientific: 048-04428
Ryan Scientific BB: 093-61725
Tocris: 2255...26 total

ref: mol2, SDF, SMILES, flexibase
6.67,0.49,-4.53,2,2,0, 314.469, 6

Similar to: 35788898, 35788902, 35788905, 35788908, 38214191, ... 12 in total.
3978987
 
#88

AfroDb Natural Products: EA_0137
TCM Database @ Taiwan: tcm03_002037
Cayman Chemical: 10010706
Element Store BB: b2star-522-17-8
Molport BB: MolPort-003-665-481...37 total

ref: mol2, SDF, SMILES, flexibase
3.58,8.7,-12.27,0,6,0, 394.423, 2

Similar to: 3978989, 3978990, 4098739, 6394171, 6394174, ... 15 in total.
6404102
 
#89

ChemMol: 97900145
Active BioPharma: 242
Molport BB: MolPort-003-983-787
NCI Plated 2007: 625987
Ryan Scientific: 048-04436...18 total

ref: mol2, SDF, SMILES, flexibase
3.38,6.78,-16.1,1,3,0, 271.341, 2
hi: mol2, SDF, SMILES, flexibase
3.95,6.46,-46.8,0,3,-1, 270.333, 2

Similar to: 40175642,
25427051
 
#90

ChemMol: 97900129
eMolecules: 31846213
Molport: MolPort-001-728-583
Active BioPharma: 217
Chembo Pharma: KB-47027...45 total

ref: mol2, SDF, SMILES, flexibase
2.03,6.5,-9.81,1,5,0, 293.374, 3
3988917
 
#91

ChemMol: 97900265
Molport: MolPort-022-863-702
Active BioPharma: 418
AK Scientific: SYN1044
Chembo Pharma: KB-145981...28 total

ref: mol2, SDF, SMILES, flexibase
2.45,7,-10.99,1,4,0, 275.311, 1

Similar to: 13829381,
6170
 
#92

ChemMol: 97900061
Active BioPharma: 116
Ark Pharm Building Blocks: AK-60772
Bide Pharmatech BB: BD150918
Chembo Pharma: KB-275290...33 total

ref: mol2, SDF, SMILES, flexibase
2.59,10.81,-11.79,2,8,0, 345.366, 4
6119090
 
#93

American Custom Chemicals Corp.: API0004748
BioSynth: W-200580
Cayman Chemical: 10975
Molport BB: MolPort-006-168-811
Ryan Scientific: 048-04446...39 total

ref: mol2, SDF, SMILES, flexibase
-1.75,-5.94,-20.58,3,7,0, 228.204, 2

Similar to: 6599340, 6599341, 6599342, 13813286, 13813289, ... 15 in total.
171154
 
#94

ChemMol: 97900343
eMolecules: 592903
Molport: MolPort-002-131-513
Active BioPharma: 652
AKOS: AKOS001662677...41 total

ref: mol2, SDF, SMILES, flexibase
1.66,6.11,-11.76,2,4,0, 259.334, 2

Similar to: 25503177, 25503181,
171152
 
#95

ChemMol: 97900343
eMolecules: 592903
Molport: MolPort-002-131-513
Active BioPharma: 652
AKOS: AKOS001662677...39 total

ref: mol2, SDF, SMILES, flexibase
1.66,6.08,-11.19,2,4,0, 259.334, 2

Similar to: 25503177, 25503181,
7992856
 
#96

ChemMol: 97900170
Active BioPharma: 277
Molport BB: MolPort-003-983-728
Ryan Scientific: 048-04451
Ryan Scientific BB: 093-61748...17 total

ref: mol2, SDF, SMILES, flexibase
3.15,6.51,-9.9,3,5,0, 328.441, 2

Similar to: 34032304, 34039243, 34039799,
11687445
 
#97

ChemMol: 97900138
Molport: MolPort-016-581-183
Active BioPharma: 229
Fluorochem: 047177
KeyOrganics Bioactives: ES-0033...24 total

ref: mol2, SDF, SMILES, flexibase
3.40,7.88,-11.04,2,5,0, 342.468, 2

Similar to: 34032304, 34039243, 34039799,
602847
 
#98

ChemMol: 97900139
Active BioPharma: 230
Anward: ANW-62570
Ark Pharm Building Blocks: AK101894
BePharm Building Blocks: B233433...24 total

ref: mol2, SDF, SMILES, flexibase
3.16,10.9,-14.99,2,9,0, 389.419, 6
3778381
 
#99

ChemMol: 97900054
Active BioPharma: 107
Amadis Chemical: A848867
Ryan Scientific: 048-04456
Ryan Scientific BB: 093-61753...16 total

ref: mol2, SDF, SMILES, flexibase
2.04,-8.58,-13.38,3,9,0, 363.418, 5

Similar to: 597419,
3828115
 
#100

ChemMol: 97900222
Molport: MolPort-020-313-404
Active BioPharma: 366
Chembo Pharma: KB-77329
Element Store BB: b2star-658084-64-1...29 total

ref: mol2, SDF, SMILES, flexibase
2.95,10.11,-16.79,1,5,0, 391.515, 8

Similar to: 34322811, 34323698, 34375745, 34549537, 38460275, ... 6 in total.

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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 = 5 ) limit 0,100

Smiles were