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8214619
 
#1

Toronto Research Chemicals: N315020, N315022
ChEMBL DrugStore: CHEMBL1200946
ChEMBL12: CHEMBL1200946
ChEMBL19: CHEMBL1200946
Collaborative Drug Discovery: 470...31 total

ref: mol2, SDF, SMILES, flexibase
7.66,3.68,-10.9,0,3,0, 428.657, 10
2568176
 
#2

ChemMol: 44022819
AKOS: AKOS000509786
Anward: ANW-36199
Aromalake BB: LS40046
Bosche Scientific: M17648...69 total

ref: mol2, SDF, SMILES, flexibase
3.03,9.24,-10.71,0,3,0, 250.301, 1

Similar to: 32257418, 32265516, 34458035, 39124488, ... 4 in total.
3869183
 
#3

Scientific Exchange (make on demand): F-124885
AKOS: AKOS002232213
Element Store BB: b2star-521-18-6
Innovapharm: STT-00140531
Mcule: MCULE-4205911962...29 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.32,-5.28,1,2,0, 290.447, 0
3869182
 
#4

Scientific Exchange (make on demand): F-124885
AKOS: AKOS002232213
Element Store BB: b2star-521-18-6
Innovapharm: STT-00140531
Mcule: MCULE-4205911962...29 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.29,-6.05,1,2,0, 290.447, 0
3869181
 
#5

Scientific Exchange (make on demand): F-124885
AKOS: AKOS002232213
Element Store BB: b2star-521-18-6
Innovapharm: STT-00140531
Mcule: MCULE-4205911962...34 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.28,-5.32,1,2,0, 290.447, 0
3869180
 
#6

Scientific Exchange (make on demand): F-124885
AKOS: AKOS002232213
Element Store BB: b2star-521-18-6
Innovapharm: STT-00140531
Mcule: MCULE-4205911962...34 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.36,-5.94,1,2,0, 290.447, 0
538266
 
#7

ChEMBL DrugStore: CHEMBL1200472
ChEMBL12: CHEMBL1200472
ChEMBL19: CHEMBL1200472
ChemDB: 3968336
Collaborative Drug Discovery: 47234...26 total

ref: mol2, SDF, SMILES, flexibase
3.96,0.13,-11.35,0,2,0, 386.801, 3
1971
 
#8

Sigma Aldrich (Building Blocks): P3654|SIGMA
Tetrahedron Building Blocks: TS77528
AKOS BB (make-on-demand): AKOS015911063
ChEMBL DrugStore: CHEMBL969
ChEMBL12: CHEMBL969...43 total

ref: mol2, SDF, SMILES, flexibase
3.61,9.24,-7.63,0,3,0, 324.811, 3
lo: mol2, SDF, SMILES, flexibase
3.61,10.11,-30.26,1,3,1, 325.819, 3

Similar to: 26576196, 26576197, 32267505,
22010379
 
#9

American Custom Chemicals Corp.: API0009165, API0003805
Bosche Scientific: D14333
ChEMBL DrugStore: CHEMBL1200860, CHEMBL1744
ChEMBL12: CHEMBL1200860, CHEMBL1744
ChEMBL19: CHEMBL1744...44 total

ref: mol2, SDF, SMILES, flexibase
2.10,3.96,-2.86,0,2,0, 191.274, 1

Similar to: 32218269, 32218270, 32218271, 32218272, 34482340, ... 49 in total.
22010375
 
#10

American Custom Chemicals Corp.: API0003805, API0009165
Bosche Scientific: D14333
ChEMBL DrugStore: CHEMBL1744, CHEMBL1200860
ChEMBL12: CHEMBL1200860, CHEMBL1744
ChEMBL19: CHEMBL1744...46 total

ref: mol2, SDF, SMILES, flexibase
2.10,4.16,-3.52,0,2,0, 191.274, 1

Similar to: 32218269, 32218270, 32218271, 32218272, 34482340, ... 49 in total.
22010387
 
#11

AK Scientific: K631
American Custom Chemicals Corp.: API0003805, API0009165
Bosche Scientific: D14333
Chembo Pharma: KB-309516
Tetrahedron Building Blocks: TS51343...81 total

ref: mol2, SDF, SMILES, flexibase
2.10,4.15,-3.51,0,2,0, 191.274, 1

Similar to: 34482340, 34597562, 34606679, 34620026, 36467895, ... 43 in total.
22010382
 
#12

American Custom Chemicals Corp.: API0009165, API0003805
Bosche Scientific: D14333
ChEMBL DrugStore: CHEMBL1200860, CHEMBL1744
ChEMBL12: CHEMBL1200860, CHEMBL1744
ChEMBL19: CHEMBL1744...44 total

ref: mol2, SDF, SMILES, flexibase
2.10,3.93,-2.83,0,2,0, 191.274, 1

Similar to: 34482340, 34597562, 34606679, 34620026, 36467895, ... 44 in total.
4216332
 
#13

American Custom Chemicals Corp.: NEW0069780
Toronto Research Chemicals: F685300
Bovine Metabolome: BMDB04631
ChEMBL DrugStore: CHEMBL2107419
ChEMBL19: CHEMBL2107419...20 total

ref: mol2, SDF, SMILES, flexibase
2.51,-0.94,-19.39,2,4,0, 344.451, 1

Similar to: 34375952, 34375954, 34375958, 34375960, 34375962, ... 9 in total.
1460
 
#14

Sequoia Research Products: 3900-31-0
ChEBI: CHEBI:31618
ChEMBL DrugStore: CHEMBL13291
ChEMBL12: CHEMBL13291
ChEMBL19: CHEMBL13291...25 total

ref: mol2, SDF, SMILES, flexibase
2.85,-0.5,-9.84,0,3,0, 302.736, 1
4215173
 
#15

NCI Plated 2007: 66233, 88536
Tetrahedron Building Blocks: TS76858
Toronto Research Chemicals: C148900
BOC Sciences BB (Depleted): 17021-26-0
Bovine Metabolome: BMDB04627...36 total

ref: mol2, SDF, SMILES, flexibase
4.17,0.35,-6.53,1,2,0, 316.485, 0

Similar to: 103270, 490793, 490794, 490795, 1041146, ... 9 in total.
3872049
 
#16

Acros Organics: 23247
AKOS: AKOS009157238
Angene Building Blocks: AGN-PC-0JK6BP
Anward: ANW-26801
Chembo Pharma: KB-48832...74 total

ref: mol2, SDF, SMILES, flexibase
0.87,-1.25,-3.08,2,2,0, 165.403, 1

Similar to: 5178445,
3881403
 
#17

Molport: MolPort-001-740-070
BioSynth: W-104109
Bosche Scientific: A6445
Chembo Pharma: KB-196526
IBScreen BuildingBlocks: BB_NC-00209...54 total

ref: mol2, SDF, SMILES, flexibase
3.24,9.24,-9.58,0,2,0, 288.431, 0

Similar to: 394228, 967517, 968209, 1041202, 1730521, ... 9 in total.
1207
 
#18

AKOS: AKOS005065735
Toronto Research Chemicals: C587410, C587412
ChEMBL DrugStore: CHEMBL1697737
ChEMBL12: CHEMBL1697737
ChEMBL19: CHEMBL1697737...28 total

ref: mol2, SDF, SMILES, flexibase
3.27,-1.73,-8.63,0,3,0, 318.829, 2
1051
 
#19

NCI Plated 2007: 140669
Sigma Aldrich (Building Blocks): B5402|SIGMA
Tetrahedron Building Blocks: TS61263
Toronto Research Chemicals: B678500, B678502
BOC Sciences BB (Depleted): 1812-30-2...45 total

ref: mol2, SDF, SMILES, flexibase
2.41,-3.46,-8.43,1,4,0, 316.158, 1
40017476
 
#20

BOC Sciences BB: 24166-13-0
Toronto Research Chemicals: C587475, C587477
BOC Sciences BB (Depleted): 158251-60-6
ChEMBL DrugStore: CHEMBL2107254
ChEMBL19: CHEMBL2107254...21 total

ref: mol2, SDF, SMILES, flexibase
4.07,3.48,-8.87,1,4,0, 349.217, 1

Similar to: 5763766, 39236959, 39236960, 39236961, 39236962, ... 8 in total.
40017475
 
#21

BOC Sciences BB: 24166-13-0
Toronto Research Chemicals: C587477, C587475
ChEMBL DrugStore: CHEMBL2107254
ChEMBL19: CHEMBL2107254
ChemDB: 3966086...18 total

ref: mol2, SDF, SMILES, flexibase
4.07,3.48,-8.88,1,4,0, 349.217, 1

Similar to: 5763766, 39236959, 39236960, 39236961, 39236962, ... 8 in total.
601273
 
#22

Tetrahedron Building Blocks: TS66400
Toronto Research Chemicals: E679525, E679527
BOC Sciences BB (Depleted): 158251-58-2
ChEMBL DrugStore: CHEMBL1213460
ChEMBL12: CHEMBL1213460...21 total

ref: mol2, SDF, SMILES, flexibase
2.83,-1,-9.85,1,5,0, 360.772, 4

Similar to: 607856, 607858, 2011625, 5857163, 5857568, ... 7 in total.
2011625
 
#23

Tetrahedron Building Blocks: TS66400
Toronto Research Chemicals: E679525, E679527
ChEMBL DrugStore: CHEMBL1213460
ChEMBL12: CHEMBL1213460
ChEMBL19: CHEMBL1213460...22 total

ref: mol2, SDF, SMILES, flexibase
2.83,-1,-9.86,1,5,0, 360.772, 4

Similar to: 5857163, 5857568, 6095261, 6095265, ... 7 in total.
4215042
 
#24

ChemMol: 30107661
American Custom Chemicals Corp.: API0001744
APIChem: AC-20016
BioSynth: Q-200742
Fragmenta: AND057...41 total

ref: mol2, SDF, SMILES, flexibase
3.22,-0.23,-8.64,1,2,0, 286.415, 0

Similar to: 33820824, 34337819, 34337821, 34337823, 34337825, ... 13 in total.
19618044
 
#25

AKOS: AKOS000638043
Alinda Building Blocks: ALBB-004364
Asinex: BAS00117100
ChemDiv BuildingBlocks: BB12-3329
Florida Heterocyclic Compounds: 27348...33 total

ref: mol2, SDF, SMILES, flexibase
3.01,5.11,-5.19,0,2,0, 192.306, 1

Similar to: 32204475, 32204478, 32221111, 33834969, 34335750, ... 17 in total.
2025687
 
#26

Alfa Chemistry (Depleted): ACM3563584
Bitter DB: 580
ChEMBL DrugStore: CHEMBL2104116
ChEMBL19: CHEMBL2104116
ChemDB: 7555474...19 total

ref: mol2, SDF, SMILES, flexibase
2.30,-3,-2.53,2,3,0, 265.564, 5
3830532
 
#27

Alfa Chemistry (Depleted): ACM3563584
Bitter DB: 580
ChEMBL DrugStore: CHEMBL2104116
ChEMBL19: CHEMBL2104116
ChemDB: 7555474...17 total

ref: mol2, SDF, SMILES, flexibase
2.30,-3.43,-2.21,2,3,0, 265.564, 5
3830531
 
#28

Alfa Chemistry (Depleted): ACM3563584
Bitter DB: 580
ChEMBL DrugStore: CHEMBL2104116
ChEMBL19: CHEMBL2104116
ChemDB: 7555474...17 total

ref: mol2, SDF, SMILES, flexibase
2.30,-3.12,-1.64,2,3,0, 265.564, 5
3830530
 
#29

Alfa Chemistry (Depleted): ACM3563584
Bitter DB: 580
ChEMBL DrugStore: CHEMBL2104116
ChEMBL19: CHEMBL2104116
ChemDB: 7555474...17 total

ref: mol2, SDF, SMILES, flexibase
2.30,-2.83,-3.64,2,3,0, 265.564, 5
4467880
 
#30

TCM Database @ Taiwan: 33198
Sequoia Research Products: 1851-23-6
Tetrahedron Building Blocks: TS35545
Toronto Research Chemicals: A637485
BindingDB.org: 50375558...37 total

ref: mol2, SDF, SMILES, flexibase
3.61,4.38,-3.37,2,2,0, 292.463, 0

Similar to: 1682410, 2114387, 2114389, 2114390, 2539717, ... 9 in total.
3814411
 
#31

ChemMol: 30102362, 30102351
American Custom Chemicals Corp.: CHM0026975
APIChem: AC-12618, AC-12630
BioSynth: W-107784
Chembo Pharma: KB-196525...67 total

ref: mol2, SDF, SMILES, flexibase
3.61,4.66,-3.33,2,2,0, 292.463, 0

Similar to: 4934429, 4934432, 4934434, 4934435, 4972803, ... 179 in total.
29402224
 
#32

Toronto Research Chemicals: M630202, M630200
BindingDB.org: 85033
Bitter DB: 172
ChEBI: CHEBI:74274
ChEMBL DrugStore: CHEMBL431928...43 total

ref: mol2, SDF, SMILES, flexibase
3.95,10.39,-7.01,0,4,0, 392.543, 6

Similar to: 31560325, 32250650, 32250654, 32250689, 32250693, ... 9 in total.
29402221
 
#33

Toronto Research Chemicals: M630200, M630202
BindingDB.org: 85033
Bitter DB: 172
ChEMBL DrugStore: CHEMBL431928, CHEMBL2104862
ChEMBL12: CHEMBL431928...27 total

ref: mol2, SDF, SMILES, flexibase
3.95,8.91,-9.07,0,4,0, 392.543, 6

Similar to: 31560325, 32250650, 32250654, 32250689, 32250693, ... 9 in total.
3814413
 
#34

American Custom Chemicals Corp.: SHG0000067
BOC Sciences BB: 1852-61-5, 1156-92-9
Bosche Scientific: A2497
FineTech: FT-0617619
Tetrahedron Building Blocks: TS35334...33 total

ref: mol2, SDF, SMILES, flexibase
3.43,-3.04,-3.74,2,2,0, 290.447, 0

Similar to: 3940859, 3989059, 3989349, 5275242, 5275282, ... 28 in total.
3830226
 
#35

BOC Sciences BB: 16895-59-3
Labotest: LT00440976
StruChem BB: SC-46946
Toronto Research Chemicals: A637547
Vitas-M: STL372755...35 total

ref: mol2, SDF, SMILES, flexibase
3.43,4.81,-3.19,2,2,0, 290.447, 0

Similar to: 32200636, 32200641, 32204097, 32204102, ... 4 in total.
3830225
 
#36

BOC Sciences BB: 16895-59-3
Labotest: LT00440976
StruChem BB: SC-46946
Vitas-M: STL372755
Vitas-M BB: BBL033837...18 total

ref: mol2, SDF, SMILES, flexibase
3.43,4.99,-3.17,2,2,0, 290.447, 0

Similar to: 3881346, 3881347, 3881348, 3881349, 5060982, ... 55 in total.
3830224
 
#37

BOC Sciences BB: 16895-59-3
Labotest: LT00440976
NCI Plated 2007: 12163
StruChem BB: SC-46946
Vitas-M: STL372755...33 total

ref: mol2, SDF, SMILES, flexibase
3.43,4.81,-3.45,2,2,0, 290.447, 0

Similar to: 3881346, 3881347, 3881348, 3881349, 4011611, ... 116 in total.
3830223
 
#38

BOC Sciences BB: 16895-59-3
Labotest: LT00440976
StruChem BB: SC-46946
Vitas-M: STL372755
Vitas-M BB: BBL033837...18 total

ref: mol2, SDF, SMILES, flexibase
3.43,5.35,-3.6,2,2,0, 290.447, 0

Similar to: 3881346, 3881347, 3881348, 3881349, 4011611, ... 116 in total.
4025021
 
#39

Molport: MolPort-002-509-643
American Custom Chemicals Corp.: SHG0004763
BOC Sciences BB: 1093-58-9
IBScreen NP: STOCK1N-04648
Mcule: MCULE-6805519453...27 total

ref: mol2, SDF, SMILES, flexibase
3.58,-0.52,-7.61,1,2,0, 322.876, 0

Similar to: 4026901, 4026902, 4026903, 4026904, 4215299, ... 34 in total.
4216375
 
#40

American Custom Chemicals Corp.: API0002780
Tetrahedron Building Blocks: TS63679
Toronto Research Chemicals: F864080
BOC Sciences BB (Depleted): 1239-29-8
ChEMBL DrugStore: CHEMBL1893554...19 total

ref: mol2, SDF, SMILES, flexibase
4.81,6.4,-8.56,1,4,0, 330.472, 0

Similar to: 33952079,
1255325
 
#41

ChemMol: 30104867, 44004299
Scientific Exchange (make on demand): F-033646
AKOS: AKOS002312613
APIChem: AC-15739
BioSynth: W-107017...40 total

ref: mol2, SDF, SMILES, flexibase
3.49,5.58,-8.46,1,3,0, 305.164, 1
lo: mol2, SDF, SMILES, flexibase
3.49,6.5,-34.12,2,3,1, 306.172, 1

Similar to: 33756429, 34327160, 39296227,
30612471
 
#42

American Custom Chemicals Corp.: SHG0004769
Toronto Research Chemicals: H948715, H948717
DrugBank-experimental: DB01500
DrugBank-Street Drugs: DB01500
PubChem: 20055236...9 total

ref: mol2, SDF, SMILES, flexibase
2.67,4.87,-8.36,2,3,0, 290.403, 0

Similar to: 31771665, 31791574, 31791579, 31791584, 31791590, ... 41 in total.
30612467
 
#43

DrugBank-experimental: DB01500
DrugBank-Street Drugs: DB01500
PubChem: 107580, 37737190
ref: mol2, SDF, SMILES, flexibase
2.67,4.97,-8.7,2,3,0, 290.403, 0

Similar to: 31791574, 31791579, 31791584, 31791590, 31829839, ... 36 in total.
12500927
 
#44

DrugBank-experimental: DB01496
DrugBank-Street Drugs: DB01496
PubChem: 3003157
ref: mol2, SDF, SMILES, flexibase
2.99,7.16,-12.42,2,5,0, 368.336, 4
61044
 
#45

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,
4215863
 
#46

Sequoia Research Products: 965-90-2
Tetrahedron Building Blocks: TS57974
Toronto Research Chemicals: E917830
ChEBI: CHEBI:31578
ChEMBL DrugStore: CHEMBL1200623...24 total

ref: mol2, SDF, SMILES, flexibase
5.52,9.21,-1.49,1,1,0, 288.475, 1

Similar to: 4369661, 4369662, 4369665, 4886863, 5275836, ... 48 in total.
601288
 
#47

Toronto Research Chemicals: C149302, C149300
ChEMBL DrugStore: CHEMBL1095282
ChEMBL12: CHEMBL1095282
ChEMBL19: CHEMBL1095282
ChemDB: 7561232...21 total

ref: mol2, SDF, SMILES, flexibase
2.59,-1.65,-15.17,0,6,0, 371.824, 3

Similar to: 2008504, 32269216, 32269218, 32269324, 32269326, ... 5 in total.
2008504
 
#48

Toronto Research Chemicals: C149300, C149302
ChEMBL DrugStore: CHEMBL1095282
ChEMBL12: CHEMBL1095282
ChEMBL19: CHEMBL1095282
ChemDB: 7561232...21 total

ref: mol2, SDF, SMILES, flexibase
2.59,-1.84,-15.77,0,6,0, 371.824, 3

Similar to: 32269216, 32269218, 32269324, 32269326, ... 5 in total.
2018676
 
#49

ChemMol: 44035170
ChEMBL DrugStore: CHEMBL2104668
ChEMBL19: CHEMBL2104668
ChemDB: 7566634
Collaborative Drug Discovery: 1353134...13 total

ref: mol2, SDF, SMILES, flexibase
2.78,-1.67,-12.54,2,4,0, 293.407, 9
13545632
 
#50

AKOS: AKOS002270831
BePharm Building Blocks: B101507
BioSynth: W-105467
Chembo Pharma: KB-259831
Innovapharm: STT-00211815...168 total

ref: mol2, SDF, SMILES, flexibase
0.74,-0.67,-5.46,2,5,0, 184.195, 2
mid: mol2, SDF, SMILES, flexibase
0.04,-3.18,-35.95,1,5,-1, 183.187, 2
4791927
 
#51

ChemMol: 30107670
American Custom Chemicals Corp.: SHG0000062
APIChem: AC-20025
Tetrahedron Building Blocks: TS57963, TS57961
Toronto Research Chemicals: T155010...25 total

ref: mol2, SDF, SMILES, flexibase
3.41,-0.23,-6.51,1,2,0, 288.431, 0

Similar to: 5359876, 5359914, 8615451, 15956009, 16921565, ... 31 in total.
5764762
 
#52

DrugBank-experimental: DB01477
DrugBank-Street Drugs: DB01477
Leadscope via PubChem: LS-91929
PubChem: 5362448, 5745709, 5362447
SureChEMBL: SCHEMBL4445641...9 total

ref: mol2, SDF, SMILES, flexibase
-2.57,0.94,-44.93,1,4,1, 314.405, 1

Similar to: 34223843, 34608908, 43663828, 43663831, 43664130, ... 11 in total.
40017478
 
#53

Toronto Research Chemicals: H104000, H104002
ChEMBL DrugStore: CHEMBL2104461
ChEMBL19: CHEMBL2104461
ChemDB: 3966870
Collaborative Drug Discovery: 1351594...20 total

ref: mol2, SDF, SMILES, flexibase
3.68,3.69,-9.33,1,4,0, 377.213, 1

Similar to: 607918, 5763764,
40017477
 
#54

Toronto Research Chemicals: H104000, H104002
ChEMBL DrugStore: CHEMBL2104461
ChEMBL19: CHEMBL2104461
ChemDB: 3966870
Collaborative Drug Discovery: 1351594...19 total

ref: mol2, SDF, SMILES, flexibase
3.68,3.69,-9.35,1,4,0, 377.213, 1

Similar to: 607918, 5763764,
30612463
 
#55

American Custom Chemicals Corp.: API0014233
Tractus: TRA0152336
ChEMBL DrugStore: CHEMBL2106284
ChEMBL19: CHEMBL2106284
ChemDB: 7585116...16 total

ref: mol2, SDF, SMILES, flexibase
3.96,9.25,-7.5,0,4,0, 353.462, 8

Similar to: 31284051, 31704173, 31704252, 31771057, 34323055, ... 10 in total.
4215039
 
#56

American Custom Chemicals Corp.: SHG0004762
Toronto Research Chemicals: B674970
BindingDB.org: 50423546
Bovine Metabolome: BMDB06048
ChEMBL DrugStore: CHEMBL259548...34 total

ref: mol2, SDF, SMILES, flexibase
4.17,0.45,-6.88,1,2,0, 316.485, 0

Similar to: 103270, 490793, 490794, 490795, 1041146, ... 9 in total.
1530796
 
#57

ChemMol: 30105095
APIChem: AC-16077
Tetrahedron Building Blocks: TS49287
AKOS BB (make-on-demand): AKOS015897742
Bosche Scientific (Depleted): G9800...41 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.27,-9.63,1,3,0, 217.268, 2

Similar to: 1530797, 3634688, 3634690, 3636646, 3636648, ... 12 in total.
1530797
 
#58

ChemMol: 30105095
APIChem: AC-16077
Tetrahedron Building Blocks: TS49287
AKOS BB (make-on-demand): AKOS015897742
Bosche Scientific (Depleted): G9800...36 total

ref: mol2, SDF, SMILES, flexibase
1.69,-0.06,-9.52,1,3,0, 217.268, 2

Similar to: 3634688, 3634690, 3636646, 3636648, 3650717, ... 12 in total.
5514900
 
#59

Toronto Research Chemicals: B690105, B690107
Bitter DB: 616
ChEMBL DrugStore: CHEMBL404422
ChEMBL12: CHEMBL404422
ChEMBL19: CHEMBL404422...31 total

ref: mol2, SDF, SMILES, flexibase
1.80,0.88,-6.59,2,5,0, 212.249, 4
mid: mol2, SDF, SMILES, flexibase
1.66,-0.89,-35.86,1,5,-1, 211.241, 4
mid: mol2, SDF, SMILES, flexibase
1.10,-0.87,-35.87,1,5,-1, 211.241, 4

Similar to: 5819447,
18167382
 
#60

Scientific Exchange (make on demand): F-278672
AKOS: AKOS003404772
Alinda: IBS-L0126530
Mcule: MCULE-8984462639
Princeton BioMolecular Research: OSSL_297835...45 total

ref: mol2, SDF, SMILES, flexibase
1.02,0.43,-5.1,2,5,0, 210.233, 3
mid: mol2, SDF, SMILES, flexibase
0.87,-2.12,-36.92,1,5,-1, 209.225, 3
mid: mol2, SDF, SMILES, flexibase
0.32,-2.08,-35.6,1,5,-1, 209.225, 3

Similar to: 5351435,
4811698
 
#61

ChemMol: 30105097
Molport: MolPort-002-136-720, MolPort-005-978-203, MolPort-003-714-232
AKOS: AKOS005711381
APIChem: AC-16079
ChemBridge: 5215894...87 total

ref: mol2, SDF, SMILES, flexibase
1.78,1.39,-5.25,2,5,0, 226.276, 4
mid: mol2, SDF, SMILES, flexibase
1.64,-1.17,-36.38,1,5,-1, 225.268, 4
mid: mol2, SDF, SMILES, flexibase
1.08,-1.12,-36.62,1,5,-1, 225.268, 4

Similar to: 1710306, 1710350, 1710362, 1710445, 1712480, ... 11 in total.
591
 
#62

ChemMol: 30106367
APIChem: AC-22513
BioSynth: W-107545
Sequoia Research Products: 101053-01-4
Sigma Aldrich (Building Blocks): P0048|SIGMA...62 total

ref: mol2, SDF, SMILES, flexibase
0.38,-1.66,-12.06,2,4,0, 176.175, 1

Similar to: 32218096, 32218097,
5279694
 
#63

ChemMol: 30106367
APIChem: AC-22513
BioSynth: W-107545
Sequoia Research Products: 101053-01-4
Sigma Aldrich (Building Blocks): P0048|SIGMA...55 total

ref: mol2, SDF, SMILES, flexibase
0.38,-1.64,-11.99,2,4,0, 176.175, 1
hi: mol2, SDF, SMILES, flexibase
0.70,-3.12,-39.66,1,4,-1, 175.167, 1

Similar to: 32218096, 32218097, 32250840, 32250844, ... 4 in total.
1370
 
#64

AKOS: AKOS005064373
BioSynth: Q-201071
Sigma Aldrich (Building Blocks): E1139|SIGMA, E3638|SIGMA
Synblock: AB07556
Tetrahedron Building Blocks: TS35741...41 total

ref: mol2, SDF, SMILES, flexibase
2.20,9.32,-11.16,0,4,0, 294.745, 1
mid: mol2, SDF, SMILES, flexibase
2.20,10.15,-34.88,1,4,1, 295.753, 1

Similar to: 6756922,
3875484
 
#65

Acros Organics: 12459
American Custom Chemicals Corp.: API0002738
BioSynth: W-104363
Capot Chemical: 5785
FineTech: FT-0603279...61 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.39,-8.66,2,3,0, 336.447, 0

Similar to: 11592673, 11592674, 11592675, 11592676, 34353495, ... 10 in total.
3831107
 
#66

Bitter DB: 324
ChEMBL DrugStore: CHEMBL1200790
ChEMBL12: CHEMBL1200790
ChEMBL19: CHEMBL1200790
ChemDB: 3967495...25 total

ref: mol2, SDF, SMILES, flexibase
1.35,-0.39,-7.21,1,3,0, 183.251, 2

Similar to: 5819459, 5819460, 32152527, 32156661, 32156665, ... 9 in total.
3831106
 
#67

Bitter DB: 324
ChEMBL DrugStore: CHEMBL1200790
ChEMBL12: CHEMBL1200790
ChEMBL19: CHEMBL1200790
ChemDB: 3967495...55 total

ref: mol2, SDF, SMILES, flexibase
1.35,-0.42,-7.69,1,3,0, 183.251, 2

Similar to: 5819459, 5819460, 32152527, 32156661, 32156665, ... 9 in total.
1385
 
#68

ChEBI: CHEBI:4884
ChEMBL DrugStore: CHEMBL1576
ChEMBL12: CHEMBL1576
ChEMBL19: CHEMBL1576
ChemDB: 3966580...25 total

ref: mol2, SDF, SMILES, flexibase
1.71,-1.22,-7.55,2,3,0, 167.208, 2
3881613
 
#69

ChemMol: 30105163
Molport: MolPort-002-507-120, MolPort-002-511-487
Scientific Exchange: C-000249
American Custom Chemicals Corp.: API0004366
APIChem: AC-16166...56 total

ref: mol2, SDF, SMILES, flexibase
5.51,15.62,-11.08,0,3,0, 406.566, 5
ref: mol2, SDF, SMILES, flexibase
5.51,15.45,-10.47,0,3,0, 406.566, 5

Similar to: 4026871, 4061524, 4061528, 4061532, 4311601, ... 20 in total.
6300
 
#70

ChemMol: 97900673, 96708096, 30104556, 44004091
ACT Chemical BB: ACT04427
Active BioPharma: 1451
AKOS: AKOS000280863
APIChem: AC-2082...90 total

ref: mol2, SDF, SMILES, flexibase
1.74,8.65,-16.75,0,6,0, 305.341, 3

Similar to: 35824677, 35826681,
2212
 
#71

Sequoia Research Products: 28911-01-5
Sigma Aldrich (Building Blocks): T9772|SIGMA
Tetrahedron Building Blocks: TS64377
Toronto Research Chemicals: T767381, T767380
BindingDB.org: 50001765...59 total

ref: mol2, SDF, SMILES, flexibase
2.92,9.32,-12.24,0,4,0, 343.217, 1
lo: mol2, SDF, SMILES, flexibase
2.92,10.24,-35.62,1,4,1, 344.225, 1
3875387
 
#72

American Custom Chemicals Corp.: SHG0000431
Tetrahedron Building Blocks: TS60442
ChEBI: CHEBI:34838
ChEMBL12: CHEMBL1582
ChEMBL19: CHEMBL1582...31 total

ref: mol2, SDF, SMILES, flexibase
3.90,-0.04,-5.56,1,2,0, 304.474, 0

Similar to: 4025889, 4025890, 4025891, 4025892, 4792120, ... 66 in total.
6427
 
#73

ChemMol: 30100528, 97900317
Scientific Exchange (make on demand): M-981991
Active BioPharma: 621
AKOS: AKOS003367969
APIChem: AC-10561...197 total

ref: mol2, SDF, SMILES, flexibase
2.74,6.91,-8.26,0,3,0, 284.746, 1
lo: mol2, SDF, SMILES, flexibase
2.74,7.78,-30.37,1,3,1, 285.754, 1

Similar to: 32266158, 32266159, 32267505,
537811
 
#74

Tetrahedron Building Blocks: TS79167
Toronto Research Chemicals: H101500, H101502
BindingDB.org: 50408018
ChEMBL DrugStore: CHEMBL970
ChEMBL12: CHEMBL970...32 total

ref: mol2, SDF, SMILES, flexibase
3.66,0.97,-10.08,0,3,0, 352.743, 3

Similar to: 34533945, 39252644, 39252645,
1530625
 
#75

ChemMol: 97900439
TCM Database @ Taiwan: 46974, tcm03_008286
Active BioPharma: 917
American Custom Chemicals Corp.: API0002497
Sigma Aldrich (Building Blocks): T2386|SIGMA...99 total

ref: mol2, SDF, SMILES, flexibase
6.69,1.18,-5.02,1,2,0, 314.469, 4

Similar to: 1556590, 3645750, 3649738, 5820630, 5821095, ... 22 in total.
903
 
#76

ChemMol: 44008263, 30106718
AKOS: AKOS005066050
APIChem: AC-18721
BioSynth: W-107015
IBScreen Bioactives: Bio-0790...107 total

ref: mol2, SDF, SMILES, flexibase
2.29,9.04,-11.97,0,4,0, 308.772, 1
mid: mol2, SDF, SMILES, flexibase
2.29,9.87,-34.58,1,4,1, 309.78, 1

Similar to: 27324454,
1530701
 
#77

AKOS: AKOS003617983
BioSynth: W-105461
Sigma Aldrich (Building Blocks): M0271|SIGMA
Tetrahedron Building Blocks: TS22413
Toronto Research Chemicals: M227750...57 total

ref: mol2, SDF, SMILES, flexibase
1.33,-2.52,-10.81,4,6,0, 218.253, 8

Similar to: 1699982, 5359373, 5360300, 5373101, 5818981, ... 27 in total.
1175
 
#78

ChemMol: 30109114
Sequoia Research Products: 22316-47-8
Sigma Aldrich (Building Blocks): C8414|SIGMA
Tetrahedron Building Blocks: TS59019
Toronto Research Chemicals: C582502...40 total

ref: mol2, SDF, SMILES, flexibase
2.55,8.27,-11.32,0,4,0, 300.745, 1
hi: mol2, SDF, SMILES, flexibase
3.48,6.96,-50.32,0,4,-1, 299.737, 1

Similar to: 5933892, 34778372, 59772023, 59772115, ... 4 in total.
12503087
 
#79

DrugBank-approved: DB00306
DrugBank-Street Drugs: DB00306
HMDB Drug: HMDB14451
Human Metabolome Database: HMDB14451
Individual Suppliers: DB00306...9 total

ref: mol2, SDF, SMILES, flexibase
1.35,5.37,-4.65,0,5,0, 252.314, 4

Similar to: 32163799, 32163801, 32208862, 32221843, 32221844, ... 14 in total.
39569538
 
#80

American Custom Chemicals Corp.: API0007621
Sigma Aldrich (Building Blocks): L7007|SIGMA
Toronto Research Chemicals: L488010
BindingDB.org: 21342, 50118578, 86427, 50241702
ChEMBL12: CHEMBL269421...26 total

ref: mol2, SDF, SMILES, flexibase
2.33,9.56,-39.99,1,4,1, 324.448, 3
hi: mol2, SDF, SMILES, flexibase
2.33,7.36,-11.18,0,4,0, 323.44, 3
lo: mol2, SDF, SMILES, flexibase
2.33,10.01,-90.93,2,4,2, 325.456, 3

Similar to: 39949163, 39569471,
53165481
 
#81

Scientific Exchange (make on demand): M-752912
TCM Database @ Taiwan: tcm03_001259, 27704
American Custom Chemicals Corp.: API0014222, CCH0013060
Princeton BioMolecular Research: OSSL_312262
Ryan Scientific BB: 076-80807...39 total

4428526
 
#82

ChemMol: 30100956
American Custom Chemicals Corp.: SHG0000068
APIChem: AC-11042
BePharm Building Blocks: B21901
BioSynth: W-104936...107 total

ref: mol2, SDF, SMILES, flexibase
3.06,9.29,-10.68,0,2,0, 286.415, 0

Similar to: 16028035, 16028039, 105229, 120294, 1041186, ... 11 in total.
95626706
 
#83

Chembo Pharma: KB-74241
Lab Seeker Building Blocks: SC-18434
Sequoia Research Products: 59467-96-8
Sigma Aldrich (Building Blocks): UC429|SIGMA, M2419|SIGMA
Tocris: 5336...32 total

2519740
 
#84

Chembo Pharma: KB-52180
TimTec: ST51225052
AK Scientific (Depleted): Y1124
ChEMBL DrugStore: CHEMBL1201766, CHEMBL1201767
ChEMBL12: CHEMBL1201766...32 total

ref: mol2, SDF, SMILES, flexibase
2.67,1.85,-139.27,0,5,-2, 286.264, 6
2001740
 
#85

BioSynth: W-110775
Tetrahedron Building Blocks: TS29480
Toronto Research Chemicals: A634280
AKOS BB (make-on-demand): AKOS015907621
BindingDB.org: 50292474...40 total

ref: mol2, SDF, SMILES, flexibase
4.70,13.2,-69.16,2,3,0, 337.463, 8
lo: mol2, SDF, SMILES, flexibase
4.70,11.23,-43.27,3,3,1, 338.471, 8

Similar to: 38207328,
968311
 
#86

ChemMol: 44014464, 97900329
Active BioPharma: 635
AK Scientific: 6523AC
AKOS: AKOS015844481
American Custom Chemicals Corp.: CHM0293133...79 total

ref: mol2, SDF, SMILES, flexibase
4.82,10.57,-26.82,1,1,1, 244.402, 2

Similar to: 3650277, 5767832, 6095980, 6095988, 32220002, ... 19 in total.
6021043
 
#87

American Custom Chemicals Corp.: API0005457, CRB0002789
Chembo Pharma: KB-50345
Element Store BB: b2star-33817-09-3
NCI Plated 2007: 22367
Sigma Aldrich (Building Blocks): D3913|SIGMA...175 total

ref: mol2, SDF, SMILES, flexibase
2.23,0.61,-34.22,2,1,1, 150.245, 3

Similar to: 8466459, 32219208, 32219209,
4214989
 
#88

DrugBank-experimental: DB01573
DrugBank-Street Drugs: DB01573
Leadscope via PubChem: LS-91875
PubChem: 67364885, 40479689, 67127432, 11773259, 5362507, 20832798, 66694618
SureChEMBL: SCHEMBL466356...16 total

ref: mol2, SDF, SMILES, flexibase
3.00,-0.6,-49.73,2,4,1, 376.476, 3

Similar to: 32149560, 34826983, 34827258, 38450423, 38450424, ... 5 in total.
5458886
 
#89

BindingDB.org: 50034620
ChEBI: CHEBI:61092
ChEMBL12: CHEMBL290411, CHEMBL12391
ChEMBL12 10uM: CHEMBL290411, CHEMBL12391
ChEMBL19: CHEMBL2360640...21 total

ref: mol2, SDF, SMILES, flexibase
4.27,2.88,-37.69,1,3,1, 351.514, 6

Similar to: 5768108, 5768116, 5768117, 5768120, 5768124, ... 40 in total.
5458868
 
#90

Toronto Research Chemicals: M205505
ChEBI: CHEBI:61092
ChEMBL12: CHEMBL12391
ChEMBL19: CHEMBL2360576, CHEMBL2365733
ChemDB: 7562396...18 total

ref: mol2, SDF, SMILES, flexibase
4.27,2.73,-30.15,1,3,1, 351.514, 6

Similar to: 5768108, 5768116, 5768117, 5768120, 5768124, ... 41 in total.
5458899
 
#91

Toronto Research Chemicals: O415000
BindingDB.org: 50033530
ChEMBL12: CHEMBL553743, CHEMBL121211, CHEMBL435380, CHEMBL1193115, CHEMBL331883, CHEMBL609398, CHEMBL544473, CHEMBL553971, CHEMBL417153
ChEMBL12 10uM: CHEMBL333410, CHEMBL121211, CHEMBL544473, CHEMBL417153
ChEMBL19: CHEMBL544473...35 total

ref: mol2, SDF, SMILES, flexibase
3.28,0.64,-38.25,2,4,1, 367.513, 6

Similar to: 12500936, 13741154, 13743327, 13743328, 34229187, ... 13 in total.
5458878
 
#92

Toronto Research Chemicals: O415000
BindingDB.org: 50084770, 50033531
ChEMBL12: CHEMBL435380, CHEMBL544473, CHEMBL553971, CHEMBL609398, CHEMBL553743, CHEMBL333410
ChEMBL12 10uM: CHEMBL333410
ChEMBL19: CHEMBL2373184...27 total

ref: mol2, SDF, SMILES, flexibase
3.28,0.39,-29.5,2,4,1, 367.513, 6

Similar to: 12500936, 13741154, 13743327, 13743328, 34229187, ... 13 in total.
4212674
 
#93

American Custom Chemicals Corp.: MTB0000110
Tetrahedron Building Blocks: TS61226
Toronto Research Chemicals: C634095
DrugBank-experimental: DB01568
DrugBank-Street Drugs: DB01568...12 total

ref: mol2, SDF, SMILES, flexibase
0.12,-0.81,-18.84,1,5,0, 315.369, 1

Similar to: 6469489, 34432341, 34432343,
403024
 
#94

Ark Pharm Building Blocks: AK-55234
Chembo Pharma: KB-179281
Element Store BB: b2star-160227-43-0
Sigma Aldrich (Building Blocks): M1796|SIGMA
Toronto Research Chemicals: M303975...28 total

ref: mol2, SDF, SMILES, flexibase
2.50,-0.1,-40.1,2,3,1, 208.281, 4

Similar to: 4072716, 31500909, 33868523, 33868524, ... 5 in total.
441
 
#95

Ark Pharm Building Blocks: AK-55234
Chembo Pharma: KB-179281
Element Store BB: b2star-160227-43-0
Sigma Aldrich (Building Blocks): M1796|SIGMA
Toronto Research Chemicals: M303975...27 total

ref: mol2, SDF, SMILES, flexibase
2.50,5.33,-38.03,2,3,1, 208.281, 4

Similar to: 403024,
4102205
 
#96

American Custom Chemicals Corp.: API0006663
BioSynth: W-109546
Tetrahedron Building Blocks: TS55042
BindingDB.org: 50021325
ChEMBL12: CHEMBL1281...36 total

ref: mol2, SDF, SMILES, flexibase
1.61,-3.16,-49.3,3,4,1, 288.367, 0

Similar to: 4216906, 5015077, 14953553, 26838089, 27625757, ... 12 in total.
1851048
 
#97

Tractus: TRA0153886
ChEMBL19: CHEMBL2361014
ChemDB: 7595240
DrugBank-experimental: DB01562
DrugBank-Street Drugs: DB01562...10 total

ref: mol2, SDF, SMILES, flexibase
4.27,3.08,-45.9,1,3,1, 324.444, 6

Similar to: 5768242, 33755115,
1664587
 
#98

American Custom Chemicals Corp.: API0014215
Toronto Research Chemicals: M305310
ChEMBL19: CHEMBL2022411
ChemDB: 4908985
Collaborative Drug Discovery: 1354456...14 total

ref: mol2, SDF, SMILES, flexibase
4.12,2.79,-32.6,1,3,1, 351.514, 6

Similar to: 5768116, 5768124, 25441534, 25441537, 32164828, ... 18 in total.
1664586
 
#99

American Custom Chemicals Corp.: API0014215
Toronto Research Chemicals: M305310
ChEMBL19: CHEMBL2022411
ChemDB: 4908985
Collaborative Drug Discovery: 1354456...15 total

ref: mol2, SDF, SMILES, flexibase
4.12,2.43,-54.75,1,3,1, 351.514, 6

Similar to: 5768116, 5768124, 25441534, 25441537, 32164828, ... 19 in total.
122765
 
#100

Scientific Exchange (make on demand): F-137820
Ark Pharm Building Blocks: AK116489, AK164048
BePharm Building Blocks: B120988
BioBlocks: A3124/0132216
BioBlocks BB: ZERO/006003...63 total

ref: mol2, SDF, SMILES, flexibase
3.02,4.67,-45.57,3,1,1, 184.69, 2

Similar to: 6092931, 6092946, 34383742, 34383743, 37024145, ... 5 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 = 324 ) limit 0,100

Smiles were