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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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67488
 
#1

ChemMol: 1037528
eMolecules: 502086
Molport: MolPort-002-130-122
Aldrich CPR: T341207|ALDRICH
Capot Chemical: 8662...35 total

ref: mol2, SDF, SMILES, flexibase
1.16,4.78,-19.46,1,4,0, 203.197, 1

Similar to: 6262377, 6262379, 34438181, 38409929, 39345891, ... 5 in total.
20233
 
#2

Prestwick Chemical: 66
ref: mol2, SDF, SMILES, flexibase
2.53,-0.89,-43.95,2,5,1, 299.398, 5

Similar to: 19796082, 27622754,
3813042
 
#3

ChemMol: 30102485
eMolecules: 534436
Scientific Exchange (make on demand): Z-033238
AK Scientific: H501
AKOS: AKOS000715163...156 total

ref: mol2, SDF, SMILES, flexibase
-1.15,-4.36,-19.16,3,7,0, 222.251, 2
mid: mol2, SDF, SMILES, flexibase
-1.15,-3.88,-51.46,2,7,-1, 221.243, 2

Similar to: 3927785, 4217364, 5160002, 32218284, ... 4 in total.
1530555
 
#4

Amidohydrolase AH-EFI: Acycloguanosine
ChemMol: 44001411, 97900312, 30100952
eMolecules: 29702921, 768732, 901331
Molport: MolPort-020-179-977, MolPort-001-889-834, MolPort-023-220-218
Acros Organics: 44524...295 total

ref: mol2, SDF, SMILES, flexibase
-1.61,-0.6,-19.69,4,8,0, 225.208, 4

Similar to: 1533112, 5854843, 6119299, 6578365, 6585462, ... 8 in total.
2167075
 
#5

ChemMol: 30102802
AK Scientific: Q567
APIChem: AC-13152
Element Store BB: b2star-25155-18-4
FineTech: FT-0628864...41 total

ref: mol2, SDF, SMILES, flexibase
3.03,16.67,-33.72,0,3,1, 426.665, 12

Similar to: 38400232,
4095717
 
#6

ChemMol: 30103301, 44001539, 80101445, 30116871
Molport: MolPort-001-742-476
TCM Database @ Taiwan: tcm03_007758, 36111, 46276, tcm03_007757, 26387
Acros Organics: 13272
AK Scientific: M047...126 total

ref: mol2, SDF, SMILES, flexibase
8.62,13.65,-1.48,1,1,0, 414.718, 6

Similar to: 1532563, 1704723, 1745010, 2048786, 2048787, ... 9 in total.
3830449
 
#7

ChemMol: 44001886, 30108488
eMolecules: 1986043
Molport: MolPort-002-966-536
AK Scientific: O877
AKOS: AKOS005411678...156 total

ref: mol2, SDF, SMILES, flexibase
0.02,1.38,-73.9,3,10,-1, 426.452, 8

Similar to: 39293535, 39293537, 39293539, 39293542, 39339094, ... 27 in total.
57115
 
#8

ChemMol: 30101837
Scientific Exchange (make on demand): POD_02/0237
Acros Organics: 11574
AKOS: AKOS001590378
Alfa-Aesar: B21436...113 total

ref: mol2, SDF, SMILES, flexibase
1.43,6.51,-17.17,0,4,0, 231.299, 2
mid: mol2, SDF, SMILES, flexibase
1.43,7.19,-38.37,1,4,1, 232.307, 2

Similar to: 4212269, 33808014,
61079
 
#9

eMolecules: 476456
Scientific Exchange (make on demand): R-060950, X-069071
Acros Organics: 10315
AK Scientific: L626, L627
AKOS: AKOS000119290...156 total

ref: mol2, SDF, SMILES, flexibase
0.81,3.78,-14.96,2,4,0, 203.245, 1
lo: mol2, SDF, SMILES, flexibase
0.81,3.62,-45.06,3,4,1, 204.253, 1

Similar to: 34977608, 34977610, 34977623, 34977628, ... 4 in total.
57501
 
#10

eMolecules: 474306
Scientific Exchange (make on demand): F-393687
AK Scientific: H548
Alfa-Aesar: L04194
Alinda: IBS-L0126743...108 total

ref: mol2, SDF, SMILES, flexibase
0.40,2.61,-55.27,2,6,-1, 263.302, 3
mid: mol2, SDF, SMILES, flexibase
0.40,2.91,-13.65,3,6,0, 264.31, 3

Similar to: 37053918, 37053919, 38602477,
3977823
 
#11

Prestwick Chemical: 837
ref: mol2, SDF, SMILES, flexibase
5.60,15.21,-114.34,0,7,-2, 568.751, 6

Similar to: 3977824, 3977825, 3977826, 8674092, 8674093, ... 15 in total.
968257
 
#12

ChemMol: 44002053, 44010954
eMolecules: 534331, 739635
Molport: MolPort-003-666-120
Scientific Exchange (make on demand): Z-007772
AK Scientific: H905...204 total

ref: mol2, SDF, SMILES, flexibase
4.19,12.75,-36.66,1,1,1, 278.419, 3

Similar to: 5734879, 5735615, 5751211, 5751884, 5776469, ... 16 in total.
3830417
 
#13

ChemMol: 30102804
American Custom Chemicals Corp.: API0001892
APIChem: AC-13154
FineTech: FT-0603044
KeyOrganics Bioactives: KS-1415...93 total

ref: mol2, SDF, SMILES, flexibase
-0.93,4.22,-83.18,1,12,-1, 470.538, 9

Similar to: 39285104, 39285105, 39336168, 39336169, 39336170, ... 14 in total.
1530598
 
#14

ChemMol: 44002548, 30102265
APIChem: AC-12512
Bosche Scientific: C1909
NCI Plated 2007: 10108
Prestwick Chemical: Prestw-757...39 total

ref: mol2, SDF, SMILES, flexibase
5.86,11.2,-6.66,0,3,0, 380.871, 6

Similar to: 3201895, 25503712, 44198760, 44273181, ... 4 in total.
3830394
 
#15

ChemMol: 30105056, 30108648, 44002039
eMolecules: 1450730
Molport: MolPort-001-996-431
AK Scientific: V0230
AKOS: AKOS000714959...144 total

ref: mol2, SDF, SMILES, flexibase
-0.47,5.21,-65.01,2,11,-1, 461.505, 7

Similar to: 3977816, 4097293, 8035451,
38
 
#16

BioSynth: Q-200640
Chembo Pharma: KB-205853
FineTech: FT-0622377
Prestwick Chemical: Prestw-49, 49
Alfa Chemistry (Depleted): ACM644268...36 total

ref: mol2, SDF, SMILES, flexibase
3.45,8.97,-38.55,1,3,1, 236.335, 6

Similar to: 2034893,
61044
 
#17

Acros Organics: 10497
AK Scientific: H725, L980
AKOS: AKOS000588788
Alfa-Aesar: A11089
American Custom Chemicals Corp.: ATB0014393...170 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.88,-16.84,0,3,0, 188.23, 1

Similar to: 33829239,
3830511
 
#18

ChemMol: 30105051
American Custom Chemicals Corp.: API0009105, API0000458
APIChem: AC-16004
BOC Sciences BB: 24356-60-3
FineTech: FT-0603005...108 total

ref: mol2, SDF, SMILES, flexibase
-0.37,7.01,-67.03,1,9,-1, 422.464, 8

Similar to: 5163012, 5163013,
9073
 
#19

ChemMol: 30104780, 97900375
Molport: MolPort-003-983-404, MolPort-004-828-866
Scientific Exchange (make on demand): F-441491
Active BioPharma: 736
Alinda: IBS-B0023657...196 total

ref: mol2, SDF, SMILES, flexibase
2.89,5.76,-43.96,3,3,1, 268.336, 0
mid: mol2, SDF, SMILES, flexibase
2.89,3.41,-8.79,2,3,0, 267.328, 0

Similar to: 155525, 1735106, 2539817, 27518486, 27518541, ... 8 in total.
643070
 
#20

Prestwick Chemical: 703
ref: mol2, SDF, SMILES, flexibase
4.32,13.84,-54.83,1,4,1, 378.54, 7
mid: mol2, SDF, SMILES, flexibase
4.32,11.93,-13.05,0,4,0, 377.532, 7

Similar to: 38545099, 38545101, 607861,
607861
 
#21

Prestwick Chemical: 703
ref: mol2, SDF, SMILES, flexibase
4.32,13.78,-57.38,1,4,1, 378.54, 7
mid: mol2, SDF, SMILES, flexibase
4.32,12.54,-13.67,0,4,0, 377.532, 7

Similar to: 643070, 38545099, 38545101,
13748
 
#22

ChemMol: 97900379
Active BioPharma: 746
Bosche Scientific: I10675
MicroSource Pharmakon: 01506073
MicroSource World Drugs: 01506073...62 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.82,-31.67,2,4,1, 205.237, 1
hi: mol2, SDF, SMILES, flexibase
-1.33,4.25,-10.67,2,4,0, 204.229, 1

Similar to: 900630, 3651295, 3651297,
900630
 
#23

ChemMol: 97900379
Active BioPharma: 746
Bosche Scientific: I10675
MicroSource Pharmakon: 01506073
MicroSource World Drugs: 01506073...62 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.82,-31.65,2,4,1, 205.237, 1

Similar to: 13748,
3861742
 
#24

ChemMol: 97900272
Active BioPharma: 470
BioSynth: W-202509, W-201540
BOC Sciences BB: 16980-89-5
MedChem Express: HY-B0764...64 total

ref: mol2, SDF, SMILES, flexibase
1.05,8.71,-54.69,1,13,-1, 468.383, 8

Similar to: 3977807, 4245601, 4257714, 11616172, 11616173, ... 19 in total.
3831157
 
#25

Chembo Pharma: KB-292847
MicroSource Pharmakon: 01500418
MicroSource US Drugs: 01500418
Prestwick Chemical: 819, Prestw-819
Toronto Research Chemicals: M745600...73 total

ref: mol2, SDF, SMILES, flexibase
-0.95,-4.26,-114.85,2,15,-2, 518.464, 9

Similar to: 3977942, 4245603, 11616719, 11616720, ... 4 in total.
3831159
 
#26

Prestwick Chemical: 819
ChemDB: 3967220, 5580467
FDA-approved drugs (via DSSTOX): 799
Leadscope via PubChem: LS-98585
PubChem: 157009...12 total

ref: mol2, SDF, SMILES, flexibase
-0.95,-5.79,-130.64,2,15,-2, 518.464, 9

Similar to: 3977942, 4245603, 11616719, 11616720, ... 4 in total.
3977942
 
#27

MicroSource Pharmakon: 01500418
MicroSource US Drugs: 01500418
Prestwick Chemical: 819
BindingDB.org: 50370589
ChEBI: CHEBI:599928...59 total

ref: mol2, SDF, SMILES, flexibase
-0.95,-4.36,-128.48,2,15,-2, 518.464, 9

Similar to: 4245603, 11616719, 11616720,
3782183
 
#28

AK Scientific: X6892
MicroSource Pharmakon: 02300261
MicroSource World Drugs: 02300261
Molport BB: MolPort-003-942-539
Prestwick Chemical: Prestw-915...48 total

ref: mol2, SDF, SMILES, flexibase
5.43,12.58,-52.21,1,6,-1, 458.406, 14
3789437
 
#29

AK Scientific: X6892
MicroSource Pharmakon: 02300261
MicroSource World Drugs: 02300261
Molport BB: MolPort-003-942-539
Prestwick Chemical: 915...48 total

ref: mol2, SDF, SMILES, flexibase
5.43,12.64,-50.35,1,6,-1, 458.406, 14
601274
 
#30

ChemMol: 97900485, 44006334
Active BioPharma: 1061
AK Scientific: K146
AKOS: AKOS005064371
BioSynth: W-104654...102 total

ref: mol2, SDF, SMILES, flexibase
5.71,17.29,-53.86,2,5,1, 459.589, 8
mid: mol2, SDF, SMILES, flexibase
5.71,17.71,-105.8,3,5,2, 460.597, 8

Similar to: 33799504, 34440350, 34440351, 38801823, 39332134, ... 5 in total.
2101
 
#31

ChemMol: 83601394, 44011835
eMolecules: 48554387, 48554379, 474316, 48554355
Molport: MolPort-019-909-616, MolPort-019-909-617
Scientific Exchange (make on demand): Z-025263
Acros Organics: 13285...281 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-2.67,-10.63,4,4,0, 172.209, 1
1187
 
#32

ChemMol: 44007031, 30104769
eMolecules: 487665
Acros Organics: 18909
AK Scientific: K985
AKOS: AKOS000109304...161 total

ref: mol2, SDF, SMILES, flexibase
2.73,6.68,-42.53,0,3,-1, 213.64, 3
2037170
 
#33

Chembo Pharma: KB-199317
Element Store BB: b2star-5588-16-9
MicroSource Pharmakon: 01500804
MicroSource US Drugs: 01500804
Prestwick Chemical: Prestw-721...32 total

ref: mol2, SDF, SMILES, flexibase
1.10,-2.27,-17.08,4,7,0, 383.904, 5
hi: mol2, SDF, SMILES, flexibase
1.10,-2.56,-44.98,3,7,-1, 382.896, 5
2037169
 
#34

Chembo Pharma: KB-199317
Element Store BB: b2star-5588-16-9
MicroSource Pharmakon: 01500804
MicroSource US Drugs: 01500804
Prestwick Chemical: Prestw-721...30 total

ref: mol2, SDF, SMILES, flexibase
1.10,-2.26,-17.43,4,7,0, 383.904, 5
hi: mol2, SDF, SMILES, flexibase
1.10,-2.57,-45.41,3,7,-1, 382.896, 5
8673078
 
#35

ChemMol: 30101988, 44029543
eMolecules: 534154
Anward: ANW-56874
APIChem: AC-12186
Ark Pharm Building Blocks: AK-99994...88 total

ref: mol2, SDF, SMILES, flexibase
0.45,1.27,-9.64,3,4,0, 187.202, 1

Similar to: 39645898,
135449
 
#36

AfroDb Natural Products: WA_0093
eMolecules: 617078
Molport: MolPort-003-894-407
TCM Database @ Taiwan: tcm03_000939, 30701
Aldrich CPR: R261882|ALDRICH...79 total

ref: mol2, SDF, SMILES, flexibase
2.46,4.96,-48.42,3,5,1, 328.388, 2
mid: mol2, SDF, SMILES, flexibase
2.46,2.61,-9.18,2,5,0, 327.38, 2

Similar to: 3644819, 5833978, 6480979, 33816918, 34646923, ... 6 in total.
135453
 
#37

eMolecules: 617078
TCM Database @ Taiwan: 30697
Mcule: MCULE-4417868509
NCI Diversity 3: 65689
NCI Plated 2007: 65689...44 total

ref: mol2, SDF, SMILES, flexibase
2.46,4.9,-49.13,3,5,1, 328.388, 2
mid: mol2, SDF, SMILES, flexibase
2.46,2.55,-9.86,2,5,0, 327.38, 2

Similar to: 3644819, 5833978, 6480979, 33816918, 34646923, ... 6 in total.
3830261
 
#38

ChemMol: 30113587
eMolecules: 4798205, 555682
Molport: MolPort-001-933-252, MolPort-035-395-713
AK Scientific: H702
AKOS: AKOS000715136...114 total

ref: mol2, SDF, SMILES, flexibase
0.99,4.35,-66.75,3,11,-1, 460.492, 5

Similar to: 4097284, 4534031, 11616761, 25759455, 31475144, ... 9 in total.
3830262
 
#39

eMolecules: 555682
Molport: MolPort-001-933-252, MolPort-035-395-713
AKOS: AKOS000715136
Aldrich CPR: L202495|ALDRICH
Asinex: BAS00444356...53 total

ref: mol2, SDF, SMILES, flexibase
0.99,5.39,-68.67,3,11,-1, 460.492, 5

Similar to: 4097284, 4534031, 11616761, 25759455, 31475144, ... 9 in total.
3871358
 
#40

AfroDb Natural Products: NA_0012
TCM Database @ Taiwan: tcm03_000027, 26850
UEFS Natural Products: uefs-360
AK Scientific: W1621
Apollo Scientific Bioactives: BIA1211...60 total

ref: mol2, SDF, SMILES, flexibase
3.00,3.27,-12.41,2,5,0, 284.267, 2
hi: mol2, SDF, SMILES, flexibase
3.26,3.56,-45.64,1,5,-1, 283.259, 2
1530950
 
#41

ChemMol: 44005839, 30109141
AKOS: AKOS015842914
APIChem: AC-212
BioSynth: W-104280
Boerchem Pharmatech BB: BC215420...95 total

ref: mol2, SDF, SMILES, flexibase
4.18,1.01,-10.35,3,6,0, 260.334, 9

Similar to: 1530951, 5761242, 5761466, 5819038, 5819699, ... 41 in total.
1530951
 
#42

ChemMol: 44005839, 30109141
AKOS: AKOS015842914
APIChem: AC-212
BioSynth: W-104280
Boerchem Pharmatech BB: BC215420...97 total

ref: mol2, SDF, SMILES, flexibase
4.18,1.01,-10.4,3,6,0, 260.334, 9

Similar to: 5761242, 5761466, 5819038, 5819699, 5819700, ... 41 in total.
113378
 
#43

Alfa-Aesar: B20841
Apollo Scientific Bioactives: BIC0113
IBScreen Bioactives: Bio-0639
Maybridge: JFD01781
Prestwick Chemical: 31...43 total

ref: mol2, SDF, SMILES, flexibase
0.73,0.8,-13.48,3,7,0, 323.132, 6

Similar to: 6093264, 6251452, 6251455,
5762010
 
#44

ChemMol: 1037558
Acros Organics: 20418
AK Scientific: M311
Alfa-Aesar: A10714
Anward: ANW-35708...71 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-0.76,-6.07,1,4,0, 129.115, 0

Similar to: 38433618, 38433619, 39049543, 39049545, ... 4 in total.
3872055
 
#45

ChemMol: 30106726
eMolecules: 536171
Molport: MolPort-003-666-143
APIChem: AC-18732
BioSynth: W-105353...99 total

ref: mol2, SDF, SMILES, flexibase
0.02,-2.8,-27.91,3,7,0, 295.729, 1

Similar to: 5850651, 34331730,
113404
 
#46

ChemMol: 44002533, 30106902, 30102236
eMolecules: 48241320
Molport: MolPort-027-899-209
Scientific Exchange (make on demand): F-138869
AK Scientific: V0236...227 total

ref: mol2, SDF, SMILES, flexibase
3.31,9.79,-40.83,1,2,1, 275.803, 5

Similar to: 32235621, 32235623, 33753339,
113410
 
#47

ChemMol: 30102236, 44002533
Molport: MolPort-002-904-271
Scientific Exchange (make on demand): F-138869
AK Scientific: H497
AKOS: AKOS001650136...208 total

ref: mol2, SDF, SMILES, flexibase
3.31,9.72,-41.24,1,2,1, 275.803, 5

Similar to: 32235621, 32235623, 33753339,
44027
 
#48

ChemMol: 80101188, 30100540
eMolecules: 730270, 492822
Molport: MolPort-003-928-768, MolPort-001-727-943
Scientific Exchange (make on demand): Z-007761
AK Scientific: H818...201 total

ref: mol2, SDF, SMILES, flexibase
5.03,11.52,-43.38,1,2,1, 319.881, 4

Similar to: 547069, 1537918, 1731930, 5317514, 5832882, ... 12 in total.
897320
 
#49

eMolecules: 536115
Scientific Exchange (make on demand): F-137648
Acros Organics: 22895
Alfa-Aesar: B24507
Amadis Chemical: A845253...46 total

ref: mol2, SDF, SMILES, flexibase
2.29,-0.12,-42.6,0,3,-1, 168.559, 0
mid: mol2, SDF, SMILES, flexibase
1.83,2.51,-6.85,1,3,0, 169.567, 0

Similar to: 38218641, 44672248,
3871709
 
#50

ChemMol: 44006119, 30107797
eMolecules: 29371773, 780838
Molport: MolPort-005-938-502
APIChem: AC-8033
Molport BB: MolPort-005-938-502...29 total

ref: mol2, SDF, SMILES, flexibase
-0.90,-5.99,-18.41,5,9,0, 328.273, 2

Similar to: 3978654, 4046820, 4104805, 4104806, 6403326, ... 16 in total.
3871710
 
#51

ChemMol: 30107797, 44006119
eMolecules: 780838, 29371773
Molport: MolPort-005-938-502
APIChem: AC-8033
Molport BB: MolPort-005-938-502...35 total

ref: mol2, SDF, SMILES, flexibase
-0.90,-6.28,-12.39,5,9,0, 328.273, 2

Similar to: 3978654, 4046820, 4104805, 4104806, 6403326, ... 16 in total.
1638183
 
#52

ChemMol: 44006119, 30107797
eMolecules: 29371773, 780838
Molport: MolPort-005-938-502
APIChem: AC-8033
Molport BB: MolPort-005-938-502...29 total

ref: mol2, SDF, SMILES, flexibase
-0.90,-6.06,-16.61,5,9,0, 328.273, 2

Similar to: 3978654, 4046820, 4104805, 4104806, 6403326, ... 16 in total.
3871711
 
#53

ChemMol: 30107797, 44006119
eMolecules: 780838, 29371773
Molport: MolPort-005-938-502
APIChem: AC-8033
Molport BB: MolPort-005-938-502...36 total

ref: mol2, SDF, SMILES, flexibase
-0.90,-6.21,-14.88,5,9,0, 328.273, 2

Similar to: 3978654, 4046820, 4104805, 4104806, 6403326, ... 16 in total.
20220
 
#54

ChemMol: 30112836, 30117012, 80101255, 44005972, 80101523, 44002203, 2100095
eMolecules: 485830, 35780848
Molport: MolPort-002-338-774
Scientific Exchange (make on demand): T-030745, K-013149
Acros Organics: 44962...340 total

ref: mol2, SDF, SMILES, flexibase
-0.70,9.07,-109.14,2,6,0, 331.347, 3
mid: mol2, SDF, SMILES, flexibase
-3.45,7.06,-88.49,3,6,1, 332.355, 2
hi: mol2, SDF, SMILES, flexibase
-0.70,7.77,-65.4,1,6,-1, 330.339, 3

Similar to: 597112, 5834907, 5839741, 5839751, 5849791, ... 36 in total.
601316
 
#55

ChemMol: 30102807, 44028831
AKOS: AKOS015895118
American Custom Chemicals Corp.: API0006621
APIChem: AC-13157
Ark Pharm Building Blocks: AK-48844...79 total

ref: mol2, SDF, SMILES, flexibase
-1.16,12.18,-35.09,1,4,1, 352.454, 5

Similar to: 3830579, 34438533, 34438535, 34470978, 34534736, ... 9 in total.
3830579
 
#56

ChemMol: 44028831, 30102807
AKOS: AKOS015895118
American Custom Chemicals Corp.: API0006621
APIChem: AC-13157
Ark Pharm Building Blocks: AK-48844...83 total

ref: mol2, SDF, SMILES, flexibase
-1.16,12.18,-33.65,1,4,1, 352.454, 5

Similar to: 34438533, 34438535, 34470978, 34534736, 34561246, ... 9 in total.
20248
 
#57

ChemMol: 97900374, 30113620
eMolecules: 536430, 1883437
Molport: MolPort-000-917-725
Active BioPharma: 735
AK Scientific: I615...159 total

ref: mol2, SDF, SMILES, flexibase
4.82,13,-36.13,1,2,1, 315.868, 4

Similar to: 2570877, 5317485, 5319788, 32264317, 32264359, ... 8 in total.
896484
 
#58

ChemMol: 44002344, 80101147, 30100285, 97900294, 80101505
eMolecules: 901678, 969274, 493859
Molport: MolPort-003-928-972, MolPort-016-578-933
Scientific Exchange (make on demand): R-035309, Z-033248
Active BioPharma: 571...176 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.66,-7.16,2,3,0, 230.098, 1
57251
 
#59

ChemMol: 30103895
eMolecules: 1986224
Molport: MolPort-006-115-631, MolPort-005-976-888
AK Scientific: I590, M201
APIChem: AC-14456...63 total

ref: mol2, SDF, SMILES, flexibase
5.09,12.92,-35.5,1,2,1, 330.879, 6

Similar to: 601258, 4214026, 5934238, 5934436, 13729532, ... 5 in total.
57252
 
#60

ChemMol: 30103895
eMolecules: 1986224
Molport: MolPort-006-115-631, MolPort-005-976-888
AK Scientific: M201, I590
APIChem: AC-14456...65 total

ref: mol2, SDF, SMILES, flexibase
5.09,12.93,-35.74,1,2,1, 330.879, 6

Similar to: 601258, 4214026, 5934238, 5934436, 13729532, ... 5 in total.
56546
 
#61

ChemMol: 30102240
Molport: MolPort-002-319-524
AK Scientific: X5839
APIChem: AC-12485
FineTech: FT-0621827...52 total

ref: mol2, SDF, SMILES, flexibase
5.25,6,-6.19,2,2,0, 270.372, 5

Similar to: 27903543, 27903550, 27903561,
56547
 
#62

ChemMol: 30102240
Molport: MolPort-006-117-094, MolPort-002-319-524
AK Scientific: X5839
APIChem: AC-12485
BioSynth: Q-201202...80 total

ref: mol2, SDF, SMILES, flexibase
5.25,5.95,-5.69,2,2,0, 270.372, 5

Similar to: 27903543, 27903550, 27903561,
56549
 
#63

ChemMol: 30102240
Molport: MolPort-002-319-524
AK Scientific: X5839
APIChem: AC-12485
FineTech: FT-0621827...55 total

ref: mol2, SDF, SMILES, flexibase
5.25,5.42,-5.73,2,2,0, 270.372, 5

Similar to: 27903543, 27903550, 27903561,
57204
 
#64

ChemMol: 30107753, 97900322
eMolecules: 1985517
Molport: MolPort-006-110-418
Scientific Exchange (make on demand): M-317614
Active BioPharma: 627...131 total

ref: mol2, SDF, SMILES, flexibase
3.01,8.13,-34.89,2,3,1, 266.368, 5

Similar to: 38267664,
61
 
#65

ChemMol: 44003811, 30114514, 30104208, 97900342
eMolecules: 535235, 31660870
Molport: MolPort-002-507-841
Active BioPharma: 650
AK Scientific: X6885...158 total

ref: mol2, SDF, SMILES, flexibase
-0.42,4.81,-48.33,3,3,0, 213.664, 4

Similar to: 85733,
85733
 
#66

ChemMol: 30104208, 97900342, 30114507, 44003811
eMolecules: 535235, 31660870
Active BioPharma: 650
Alinda Building Blocks: ALBB-014712
APIChem: AC-22393...130 total

ref: mol2, SDF, SMILES, flexibase
-0.42,4.85,-63,3,3,0, 213.664, 4

Similar to: 38436033, 38436034, 61,
4840
 
#67

ChemMol: 97900672, 2100047, 30101978, 44002335
Active BioPharma: 1447
AK Scientific: H527
Alinda Building Blocks: ALBB-019233
APIChem: AC-6796...104 total

ref: mol2, SDF, SMILES, flexibase
2.36,5.4,-9.87,1,4,0, 270.21, 3
3977945
 
#68

American Custom Chemicals Corp.: CHM0012989
BOC Sciences BB: 2668-66-8
Bosche Scientific: M2273
MedChem Express: HY-B1076
MicroSource Pharmakon: 01500380...48 total

ref: mol2, SDF, SMILES, flexibase
3.37,9.07,-10.95,1,3,0, 344.495, 1

Similar to: 32265013, 32265014, 32265015,
3869855
 
#69

eMolecules: 591595
TCM Database @ Taiwan: 29309
Acros Organics: 20412
AK Scientific: Y1603
AKOS: AKOS000520650...103 total

ref: mol2, SDF, SMILES, flexibase
3.33,9.94,-141.69,0,6,-2, 334.283, 2
ref: mol2, SDF, SMILES, flexibase
3.33,8.89,-64.51,1,6,-1, 335.291, 2
mid: mol2, SDF, SMILES, flexibase
3.33,7.78,-16.67,2,6,0, 336.299, 2
mid: mol2, SDF, SMILES, flexibase
3.33,9.99,-143.4,0,6,-2, 334.283, 2
mid: mol2, SDF, SMILES, flexibase
3.33,8.03,-18.7,2,6,0, 336.299, 2
mid: mol2, SDF, SMILES, flexibase
3.33,10.46,-142.62,0,6,-2, 334.283, 2
mid: mol2, SDF, SMILES, flexibase
3.33,9.14,-66.5,1,6,-1, 335.291, 2
mid: mol2, SDF, SMILES, flexibase
3.33,9.16,-65.12,1,6,-1, 335.291, 2
lo: mol2, SDF, SMILES, flexibase
3.33,8.37,-20.79,2,6,0, 336.299, 2

Similar to: 3957509, 6580930,
3779067
 
#70

ChemMol: 30101083, 30100958, 30111690, 44001566, 30107169, 30101084, 44001420
eMolecules: 6313114, 739223
Molport: MolPort-000-838-171, MolPort-001-742-620, MolPort-002-507-191
TCM Database @ Taiwan: tcm03_000865, 27636
AK Scientific: R434...275 total

ref: mol2, SDF, SMILES, flexibase
0.20,8.91,-32.71,0,5,1, 336.367, 2
968358
 
#71

Prestwick Chemical: 726
FDA-approved drugs (via DSSTOX): 717
Leadscope via PubChem: LS-56846
PubChem: 199972
ref: mol2, SDF, SMILES, flexibase
3.65,6.57,-33.1,2,1,1, 170.32, 3

Similar to: 2379538, 5734857, 5751198, 12481488, 12481496, ... 13 in total.
4202723
 
#72

ChemMol: 44007523
Molport: MolPort-002-345-612
Acros Organics: 42830
AK Scientific: I616
Anward: ANW-43520...71 total

ref: mol2, SDF, SMILES, flexibase
0.07,0.81,-8.45,1,3,0, 130.143, 0

Similar to: 32226875, 32226877, 34353945, 38265118, 38434435, ... 9 in total.
449
 
#73

ChemMol: 30105043
AK Scientific: 1988AC
American Custom Chemicals Corp.: API0009597
APIChem: AC-15989
Ark Pharm Building Blocks: AK116470...76 total

ref: mol2, SDF, SMILES, flexibase
-1.39,11.7,-35.52,1,4,1, 340.443, 5

Similar to: 390424, 390426, 390428, 390430, 601314, ... 8 in total.
3813083
 
#74

ChemMol: 30105043
AK Scientific: 1988AC
APIChem: AC-15989
Ark Pharm Building Blocks: AK116470
BePharm Building Blocks: B137418...81 total

ref: mol2, SDF, SMILES, flexibase
-1.39,11.7,-36.15,1,4,1, 340.443, 5

Similar to: 449,
105309
 
#75

ChemMol: 30101579, 44002055
Molport: MolPort-001-738-744, MolPort-001-738-745
TCM Database @ Taiwan: tcm03_001127
Acros Organics: 27672
AK Scientific: K332...180 total

ref: mol2, SDF, SMILES, flexibase
2.03,6.76,-12.81,1,6,0, 348.358, 1

Similar to: 538610, 3941684, 32191654, 32191655, 33822027, ... 14 in total.
4785
 
#76

ChemMol: 44000795, 30100527, 2100000
eMolecules: 535714
Molport: MolPort-023-220-275
Scientific Exchange (make on demand): POD_84/0323
Acros Organics: 34436...174 total

ref: mol2, SDF, SMILES, flexibase
2.84,6.95,-10.42,2,3,0, 236.274, 0
ref: mol2, SDF, SMILES, flexibase
2.60,5.58,-25.52,3,3,1, 237.282, 1
mid: mol2, SDF, SMILES, flexibase
2.60,5.16,-7.11,2,3,0, 236.274, 1
mid: mol2, SDF, SMILES, flexibase
2.60,4.97,-7.87,2,3,0, 236.274, 1
49137
 
#77

Amidohydrolase AH-EFI: Sulfamonomethoxine
ChemMol: 30104238, 80101159
eMolecules: 594152
Scientific Exchange (make on demand): Z-007789
AK Scientific: O348...82 total

ref: mol2, SDF, SMILES, flexibase
0.38,-0.13,-47.69,2,7,-1, 279.301, 4
mid: mol2, SDF, SMILES, flexibase
0.38,0.31,-11.85,3,7,0, 280.309, 4

Similar to: 6327746, 6361947, 14226593, 14226602, 14226610, ... 29 in total.
3814395
 
#78

ChemMol: 2100050
AK Scientific: H078
American Custom Chemicals Corp.: API0003163
Bosche Scientific: N3739, L5077
Cayman Chemical: 10006318...140 total

ref: mol2, SDF, SMILES, flexibase
3.56,8.77,-8.33,1,2,0, 312.453, 1

Similar to: 5736162, 5736163, 5752387, 31771440, 31771441, ... 7 in total.
3875980
 
#79

ChemMol: 30114373
Molport: MolPort-028-744-657
American Custom Chemicals Corp.: API0003482, API0003483
APIChem: AC-8800
BioSynth: W-108115...90 total

ref: mol2, SDF, SMILES, flexibase
3.27,6.93,-60.06,1,7,-1, 413.475, 5

Similar to: 33802649, 33802650, 33802651, 33802652, 43409581, ... 6 in total.
57493
 
#80

AKOS: AKOS002666345
Anward: ANW-43072
BOC Sciences BB: 144-82-1
Chembo Pharma: KB-271162
Lab Seeker Building Blocks: SC-62410...80 total

ref: mol2, SDF, SMILES, flexibase
0.21,0.58,-51.33,2,6,-1, 269.331, 3
lo: mol2, SDF, SMILES, flexibase
0.21,0.43,-81.46,3,6,0, 270.339, 3

Similar to: 5332520,
57260
 
#81

AK Scientific: R966
AKOS: AKOS001631429
American Custom Chemicals Corp.: API0011074
Chembo Pharma: KB-64745, KB-216748
ChemDiv: 3039-0348...80 total

ref: mol2, SDF, SMILES, flexibase
4.08,12.45,-42.57,1,3,1, 326.851, 4
mid: mol2, SDF, SMILES, flexibase
4.08,10.38,-9.11,0,3,0, 325.843, 4

Similar to: 38543197, 39916844, 39916845, 39916848, 39916910, ... 26 in total.
3875425
 
#82

Molport: MolPort-002-526-048, MolPort-002-506-953
TCM Database @ Taiwan: tcm03_007944
American Custom Chemicals Corp.: SHG0000893
IBScreen BuildingBlocks: BB_NC-00221
IBScreen NP: STOCK1N-52489...46 total

ref: mol2, SDF, SMILES, flexibase
0.80,3.83,-18.77,3,6,0, 404.503, 2

Similar to: 3881407, 3978064, 3978065, 4074059, 6266822, ... 19 in total.
49141
 
#83

ChemMol: 80101491
eMolecules: 631768
Molport: MolPort-019-930-803
Scientific Exchange (make on demand): POD_15/0777
Acros Organics: 43647...94 total

ref: mol2, SDF, SMILES, flexibase
0.77,-1.3,-51.87,2,7,-1, 279.301, 4
mid: mol2, SDF, SMILES, flexibase
0.77,-1.15,-15.25,3,7,0, 280.309, 4

Similar to: 32250841, 32250845,
2106
 
#84

ChemMol: 30106794, 96700580
AK Scientific: H465, O350
AKOS: AKOS001053134
APIChem: AC-18848
BioSynth: W-105325...98 total

ref: mol2, SDF, SMILES, flexibase
1.70,1.58,-52.26,2,6,-1, 299.335, 3
mid: mol2, SDF, SMILES, flexibase
1.70,2.26,-14.59,3,6,0, 300.343, 3
3807804
 
#85

ChemMol: 30101943, 44002313
eMolecules: 499093
AK Scientific: N713
APIChem: AC-279
BioSynth: W-107394...154 total

ref: mol2, SDF, SMILES, flexibase
5.47,13.43,-5.78,0,2,0, 344.845, 4
mid: mol2, SDF, SMILES, flexibase
5.47,13.99,-28.18,1,2,1, 345.853, 4

Similar to: 4213681, 34336475, 38277179, 38277180, ... 4 in total.
1874
 
#86

AK Scientific: H956
BioSynth: Q-201527
BOC Sciences BB: 1949-20-8
Bosche Scientific: O5884, O12494
Element Store BB: b2star-1949-20-8...52 total

ref: mol2, SDF, SMILES, flexibase
3.01,7.1,-41.7,1,4,1, 246.334, 6
57455
 
#87

ChemMol: 44026885
AK Scientific: Y0487
Element Store BB: b2star-1508-76-5
MicroSource Pharmakon: 01500507
MicroSource US Drugs: 01500507...68 total

ref: mol2, SDF, SMILES, flexibase
4.33,9.45,-34.66,2,2,1, 288.455, 5

Similar to: 1552559, 3646189, 3647598, 6116321, 6116322, ... 35 in total.
4760
 
#88

ChemMol: 44026885
AK Scientific: Y0487
Element Store BB: b2star-1508-76-5
MicroSource Pharmakon: 01500507
MicroSource US Drugs: 01500507...64 total

ref: mol2, SDF, SMILES, flexibase
4.33,9.71,-35.38,2,2,1, 288.455, 5

Similar to: 57455, 1481939, 1842627,
897291
 
#89

MicroSource Pharmakon: 01505428
MicroSource US Drugs: 01505428
Otava: 1867227
Prestwick Chemical: Prestw-696, 696
ChEBI: CHEBI:60360...42 total

ref: mol2, SDF, SMILES, flexibase
1.13,4.16,-7.82,1,4,0, 204.229, 2

Similar to: 5851446, 5851462, 34381019, 34381020, 34382945, ... 9 in total.
271
 
#90

MicroSource Pharmakon: 01505428
MicroSource US Drugs: 01505428
Otava: 1867227
Prestwick Chemical: Prestw-696, 696
ChEBI: CHEBI:60359...41 total

ref: mol2, SDF, SMILES, flexibase
1.13,4.17,-7.86,1,4,0, 204.229, 2

Similar to: 897291, 35133092, 35133093,
3873371
 
#91

ChemMol: 30102772
AK Scientific: K466
APIChem: AC-13116
Ark Pharm Building Blocks: AK129814, AK117764
Bide Pharmatech BB: BD41856...71 total

ref: mol2, SDF, SMILES, flexibase
5.66,14.88,-35.99,1,2,1, 398.766, 6
mid: mol2, SDF, SMILES, flexibase
5.66,14.37,-7.76,0,2,0, 397.758, 6

Similar to: 39233076, 39233077, 39233078, 39233079, 39233080, ... 25 in total.
601250
 
#92

ChemMol: 30102772
AK Scientific: K466
APIChem: AC-13116
Ark Pharm Building Blocks: AK117764, AK129814
Bide Pharmatech BB: BD41856...71 total

ref: mol2, SDF, SMILES, flexibase
5.66,14.89,-38.35,1,2,1, 398.766, 6
mid: mol2, SDF, SMILES, flexibase
5.66,14.38,-7.5,0,2,0, 397.758, 6

Similar to: 3873371, 39233076, 39233077, 39233078, 39233079, ... 25 in total.
625876
 
#93

eMolecules: 618351
Aldrich CPR: R278122|ALDRICH
IBScreen NP: STOCK1N-20133
NCI Plated 2007: 343342, 96349, 154890
Pharmeks: PHAR003327...52 total

ref: mol2, SDF, SMILES, flexibase
0.31,9.87,-33.08,0,5,1, 364.421, 4

Similar to: 1669233, 1678492, 1725048, 1734970, 1735200, ... 8 in total.
49140
 
#94

ChemMol: 30106923, 30101817
eMolecules: 511816
Molport: MolPort-000-889-880
Scientific Exchange (make on demand): POD_26/0976
AK Scientific: H457...85 total

ref: mol2, SDF, SMILES, flexibase
1.39,0.9,-49.5,2,6,-1, 283.72, 3
mid: mol2, SDF, SMILES, flexibase
1.39,1.04,-15.21,3,6,0, 284.728, 3

Similar to: 6327748, 6361949, 6361964, 6362090, 39121753, ... 5 in total.
57503
 
#95

ChemMol: 30110277, 44001665
Enolase via KEGG (EFI): C07320_2
AK Scientific: R227
AKOS: AKOS004909426
APIChem: AC-4551...79 total

ref: mol2, SDF, SMILES, flexibase
3.52,8.5,-47.24,0,3,-1, 259.306, 4

Similar to: 32250659, 32250663, 38436763, 38436764, 38764222, ... 7 in total.
57504
 
#96

ChemMol: 44001665, 30110277
Enolase via KEGG (EFI): C07320_1
AK Scientific: R227
AKOS: AKOS004909426
APIChem: AC-4551...82 total

ref: mol2, SDF, SMILES, flexibase
3.52,8.48,-46.74,0,3,-1, 259.306, 4

Similar to: 32250659, 32250663, 38436763, 38436764, 38764222, ... 7 in total.
4083557
 
#97

ChemMol: 44014460
Molport: MolPort-002-529-087
American Custom Chemicals Corp.: API0002117
BioSynth: W-105776
Bosche Scientific: C6395...121 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.68,-14.19,2,5,0, 360.45, 2

Similar to: 4535851, 3984051, 3984050, 3984049, 3984048, ... 9 in total.
968273
 
#98

ChemMol: 97602479, 44006951, 30110294
eMolecules: 594549, 901461
Molport: MolPort-003-666-299
Scientific Exchange (make on demand): M-158201
AK Scientific: H506...116 total

ref: mol2, SDF, SMILES, flexibase
4.83,10.28,-36.84,2,2,1, 302.482, 5

Similar to: 1552559, 3646189, 3647598, 4019957, 4019958, ... 37 in total.
968274
 
#99

ChemMol: 30110294, 44006951
eMolecules: 901461, 594549
Molport: MolPort-003-666-299
Scientific Exchange (make on demand): M-158201
AK Scientific: H506...103 total

ref: mol2, SDF, SMILES, flexibase
4.83,9.8,-38.56,2,2,1, 302.482, 5

Similar to: 1552559, 3646189, 3647598, 4019957, 4019958, ... 34 in total.
402766
 
#100

Molport: MolPort-001-742-588
AK Scientific: 4205AE
Alfa-Aesar: L11873
American Custom Chemicals Corp.: CCH0006756
AnalytiCon Discovery NP: NP-010650...124 total

ref: mol2, SDF, SMILES, flexibase
0.41,4.31,-11.15,0,3,0, 176.219, 1
lo: mol2, SDF, SMILES, flexibase
0.41,4.83,-43.66,1,3,1, 177.227, 1

Similar to: 6418213, 32166474, 32166475, 34380907, 36459288, ... 23 in 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 = 170 ) limit 0,100

Smiles were