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86865163
 
#1

FineTech: FT-0630475
ref: mol2, SDF, SMILES, flexibase
-2.73,-6.16,-40.15,6,9,1, 333.361, 2
mid: mol2, SDF, SMILES, flexibase
-2.73,-4.87,-109.15,7,9,2, 334.369, 2
hi: mol2, SDF, SMILES, flexibase
-2.73,-7.31,-11.66,5,9,0, 332.353, 2
53006806
 
#2

eMolecules: 29534026
AK Scientific: X6763, O212
American Custom Chemicals Corp.: API0004215
APIChem: AC-13570
Ark Pharm Building Blocks: AK115166...89 total

86865162
 
#3

FineTech: FT-0630472
ref: mol2, SDF, SMILES, flexibase
-2.23,0.92,-16.47,2,7,0, 310.302, 1
601304
 
#4

eMolecules: 670703
Molport: MolPort-001-684-488
Active BioPharma: 631
AK Scientific: H764
Aldrich CPR: R736384|ALDRICH...61 total

ref: mol2, SDF, SMILES, flexibase
1.91,7.64,-36.73,3,9,1, 384.416, 4
hi: mol2, SDF, SMILES, flexibase
1.91,7.26,-15.54,2,9,0, 383.408, 4

Similar to: 27635661, 39340839, 39340841, 39340842, ... 4 in total.
86865161
 
#5

FineTech: FT-0630419
PubChem: 69305587
SureChEMBL: SCHEMBL5085651, SCHEMBL42067, SCHEMBL5967280, SCHEMBL5184961
ref: mol2, SDF, SMILES, flexibase
1.61,0.64,-39,4,2,1, 152.217, 2
mid: mol2, SDF, SMILES, flexibase
1.61,-0.18,-4.33,3,2,0, 151.209, 2
86865160
 
#6

FineTech: FT-0630419
SureChEMBL: SCHEMBL5966852, SCHEMBL42067, SCHEMBL5184961
ref: mol2, SDF, SMILES, flexibase
1.61,0.63,-39.11,4,2,1, 152.217, 2
mid: mol2, SDF, SMILES, flexibase
1.61,-0.08,-3.84,3,2,0, 151.209, 2
16052277
 
#7

Molport: MolPort-003-666-171
AK Scientific: I015
American Custom Chemicals Corp.: API0009317, API0002491
APIChem: AC-6017
BioSynth: W-105517...72 total

ref: mol2, SDF, SMILES, flexibase
-0.43,0.98,-89.55,6,10,-1, 443.432, 2
ref: mol2, SDF, SMILES, flexibase
-0.56,-4.34,-53.29,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-2.25,-57.18,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.43,-0.95,-119.1,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-1.14,-138.65,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,0.98,-115.98,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.43,1.01,-116.14,6,10,-1, 443.432, 2
mid: mol2, SDF, SMILES, flexibase
-0.87,-0.29,-56.08,7,10,0, 444.44, 2
mid: mol2, SDF, SMILES, flexibase
-0.43,-1.12,-136.18,5,10,-2, 442.424, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,-1.34,-55.02,8,10,1, 445.448, 1
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.19,-69.73,6,10,-1, 443.432, 1
hi: mol2, SDF, SMILES, flexibase
-1.16,-1.12,-156.22,5,10,-2, 442.424, 1
hi: mol2, SDF, SMILES, flexibase
-0.87,1.58,-169.04,5,10,-2, 442.424, 2
hi: mol2, SDF, SMILES, flexibase
-1.61,-2.24,-69.99,6,10,-1, 443.432, 1
lo: mol2, SDF, SMILES, flexibase
-0.56,-2.33,-53.6,7,10,0, 444.44, 2
lo: mol2, SDF, SMILES, flexibase
-0.43,-0.11,-48.39,7,10,0, 444.44, 2

Similar to: 16248873, 31672726, 33848905, 44123721, ... 4 in total.
85205448
 
#8

ChemMol: 97900318, 80101315
eMolecules: 715726
TCM Database @ Taiwan: 26767
Acros Organics: 32927
AKOS: AKOS002942507...147 total

ref: mol2, SDF, SMILES, flexibase
3.07,9.27,-20.79,1,8,0, 346.339, 6
4685859
 
#9

ChemMol: 30101828
eMolecules: 592925
Molport: MolPort-002-817-066
APIChem: AC-8714
BioSynth: W-107609...52 total

ref: mol2, SDF, SMILES, flexibase
2.54,3.81,-8.91,2,6,0, 249.27, 4
ref: mol2, SDF, SMILES, flexibase
2.54,3.8,-10.36,2,6,0, 249.27, 4

Similar to: 13005021,
901160
 
#10

ChemMol: 30101536, 44002022
eMolecules: 801283
Enolase via KEGG (EFI): C01850_2
TCM Database @ Taiwan: 26267
American Custom Chemicals Corp.: API0004102...45 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.27,-59.27,4,8,-1, 359.31, 7

Similar to: 5784598, 34373496, 34656942, 34656944, ... 4 in total.
3635554
 
#11

ChemMol: 30104940
Molport: MolPort-005-934-830
AK Scientific: H993, H362
AKOS: AKOS015894914
APIChem: AC-15848...48 total

ref: mol2, SDF, SMILES, flexibase
5.17,2.35,-33.5,1,2,1, 310.461, 6

Similar to: 3635840, 3635841, 3636432, 3636435, 3636438, ... 15 in total.
1481729
 
#12

ChemMol: 30104940
Molport: MolPort-005-934-830
AK Scientific: H362, H993
AKOS: AKOS015894914
APIChem: AC-15848...49 total

ref: mol2, SDF, SMILES, flexibase
5.17,2.7,-34.22,1,2,1, 310.461, 6

Similar to: 3635554, 3635840, 3635841, 3636432, 3636435, ... 15 in total.
26892333
 
#13

Bosche Scientific: K5079
FineTech: FT-0630460
PubChem: 69116956, 67360070, 66765861, 10362322, 34173954, 54754742, 69773308, 70189838, 57369825, 65174, 21153884, 68744294, 70482037, 3061202, 88045
SMDC Public: 735797
StreptomeDB: 969...20 total

ref: mol2, SDF, SMILES, flexibase
-4.10,-10.88,-76.16,11,12,1, 380.374, 4
hi: mol2, SDF, SMILES, flexibase
-4.10,-10.24,-25.26,10,12,0, 379.366, 4
hi: mol2, SDF, SMILES, flexibase
-4.10,-11.21,-34.53,10,12,0, 379.366, 4

Similar to: 31669925, 31669926, 37867490, 37874880, 38623706, ... 5 in total.
38654185
 
#14

FineTech: FT-0630459
ChemDB: 5113958
PubChem: 418922
SureChEMBL: SCHEMBL120559
ref: mol2, SDF, SMILES, flexibase
-5.59,-15.6,-79.56,12,18,0, 507.409, 11
hi: mol2, SDF, SMILES, flexibase
-5.59,-15.21,-64.04,11,18,-1, 506.401, 11

Similar to: 38799518, 38799519, 38576263, 38576265, 38576267, ... 10 in total.
38654181
 
#15

FineTech: FT-0630459
ChemDB: 5113958
PubChem: 418922
SureChEMBL: SCHEMBL120559
ref: mol2, SDF, SMILES, flexibase
-5.59,-14.52,-75.37,12,18,0, 507.409, 11
hi: mol2, SDF, SMILES, flexibase
-5.59,-14.69,-61.97,11,18,-1, 506.401, 11

Similar to: 38799518, 38799519, 38576263, 38576265, 38576267, ... 6 in total.
38654176
 
#16

FineTech: FT-0630459
ChemDB: 5113958
PubChem: 418922
SureChEMBL: SCHEMBL120559
ref: mol2, SDF, SMILES, flexibase
-5.59,-13.81,-86.14,12,18,0, 507.409, 11
hi: mol2, SDF, SMILES, flexibase
-5.59,-13.99,-70.49,11,18,-1, 506.401, 11

Similar to: 38799518, 38799519, 38576263, 38576265, 38576267, ... 6 in total.
38654171
 
#17

FineTech: FT-0630459
ChemDB: 5113958
PubChem: 418922
SureChEMBL: SCHEMBL120559
ref: mol2, SDF, SMILES, flexibase
-5.59,-13.97,-76.45,12,18,0, 507.409, 11
hi: mol2, SDF, SMILES, flexibase
-5.59,-14.17,-62,11,18,-1, 506.401, 11

Similar to: 38799518, 38799519, 38576263, 38576265, 38576267, ... 6 in total.
6165883
 
#18

ChemMol: 44002754, 1202864, 98001844, 30102619
eMolecules: 901329
Molport: MolPort-002-468-862
Scientific Exchange (make on demand): F-318618
AKOS: AKOS000104755...71 total

ref: mol2, SDF, SMILES, flexibase
0.58,4.74,-53.38,1,4,-1, 192.194, 3

Similar to: 32143440, 39383244,
20230
 
#19

ChemMol: 30101966, 44002325, 97900349
Molport: MolPort-003-933-916, MolPort-005-976-086, MolPort-005-933-644
Active BioPharma: 663
AK Scientific: Z6159, H886
AKOS: AKOS015994719...243 total

ref: mol2, SDF, SMILES, flexibase
1.35,-1.43,-39.21,5,4,1, 240.323, 5
hi: mol2, SDF, SMILES, flexibase
1.35,-2.74,-6.76,4,4,0, 239.315, 5

Similar to: 5352554, 5352568, 5861495, 32107207, 32107209, ... 16 in total.
1825020
 
#20

eMolecules: 485941
BioSynth: W-203523, W-202976
BOC Sciences BB: 18467-77-1
FineTech: FT-0604372, FT-0630451
IBScreen BuildingBlocks: BB_NC-00412...50 total

ref: mol2, SDF, SMILES, flexibase
0.67,-2.9,-55.49,0,7,-1, 273.261, 1

Similar to: 4528581, 4528582, 4528584, 4528585, 4543976, ... 27 in total.
80453005
 
#21

FineTech: FT-0630450
IBM Patent Data: 136193392
PubChem: 57245387
SureChEMBL: SCHEMBL195541
ref: mol2, SDF, SMILES, flexibase
-3.27,-7.26,-15.96,7,10,0, 309.282, 3
mid: mol2, SDF, SMILES, flexibase
-3.27,-7.32,-28.07,8,10,1, 310.29, 3
80453002
 
#22

FineTech: FT-0630450
IBM Patent Data: 136193392
PubChem: 57245387
SureChEMBL: SCHEMBL195541
ref: mol2, SDF, SMILES, flexibase
-3.27,-6.48,-15.28,7,10,0, 309.282, 3
mid: mol2, SDF, SMILES, flexibase
-3.27,-6.54,-28.71,8,10,1, 310.29, 3
80452999
 
#23

FineTech: FT-0630450
IBM Patent Data: 136193392
PubChem: 57245387
SureChEMBL: SCHEMBL195541
ref: mol2, SDF, SMILES, flexibase
-3.27,-5.96,-17.17,7,10,0, 309.282, 3
mid: mol2, SDF, SMILES, flexibase
-3.27,-6.02,-30.58,8,10,1, 310.29, 3
80452997
 
#24

FineTech: FT-0630450
IBM Patent Data: 136193392
PubChem: 57245387
SureChEMBL: SCHEMBL195541
ref: mol2, SDF, SMILES, flexibase
-3.27,-6.28,-16.31,7,10,0, 309.282, 3
mid: mol2, SDF, SMILES, flexibase
-3.27,-6.34,-27.81,8,10,1, 310.29, 3
607900
 
#25

AK Scientific: M506
FineTech: FT-0630447
Tetrahedron Building Blocks: TS69315
Vesino Industrial Co Ltd: VA10962
AKOS BB (make-on-demand): AKOS015895116...29 total

ref: mol2, SDF, SMILES, flexibase
2.41,8.71,-50.57,2,6,1, 402.902, 6
hi: mol2, SDF, SMILES, flexibase
2.41,6.44,-14.09,1,6,0, 401.894, 6
1444
 
#26

FineTech: FT-0630446
Molport BB: MolPort-006-122-455
Prestwick Chemical: Prestw-1254
Tetrahedron Building Blocks: TS77830
BindingDB.org: 50309254...36 total

ref: mol2, SDF, SMILES, flexibase
4.80,10.81,-47.84,0,3,-1, 328.8, 4

Similar to: 169128,
113355
 
#27

eMolecules: 975530, 530725
Molport: MolPort-023-220-534, MolPort-004-285-491
Acros Organics: 20724
AK Scientific: R780
AKOS: AKOS004111099...211 total

ref: mol2, SDF, SMILES, flexibase
0.41,-0.72,-41.71,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.41,-2.17,-5.18,3,3,0, 167.208, 3
57438
 
#28

ChemMol: 44004255, 30104794, 80101157
eMolecules: 593060
Molport: MolPort-003-959-102
Scientific Exchange (make on demand): F-434572
AK Scientific: HTS028365...86 total

ref: mol2, SDF, SMILES, flexibase
0.13,4.89,-11.19,1,6,0, 219.628, 4
563
 
#29

ChemMol: 30104794, 44004255, 80101157
eMolecules: 593060
Molport: MolPort-003-959-102
Scientific Exchange (make on demand): F-434572
AK Scientific: HTS028365...87 total

ref: mol2, SDF, SMILES, flexibase
0.13,4.3,-12.26,1,6,0, 219.628, 4
587613
 
#30

ChemMol: 30107399, 97900409, 44005909, 30100950
eMolecules: 206845802, 534810
Molport: MolPort-002-507-852, MolPort-005-932-705, MolPort-003-666-437
Active BioPharma: 817
AK Scientific: Y0395...151 total

ref: mol2, SDF, SMILES, flexibase
2.74,3.64,-46.51,5,3,1, 379.116, 3
hi: mol2, SDF, SMILES, flexibase
2.74,2.42,-3.86,4,3,0, 378.108, 3
hi: mol2, SDF, SMILES, flexibase
4.58,8.6,-2.12,0,0,0, 194.343, 1
119286
 
#31

eMolecules: 1988201
Molport: MolPort-003-801-600
Scientific Exchange (make on demand): F-405071
AK Scientific: O385
Aldrich CPR: TMT00167|ALDRICH...78 total

ref: mol2, SDF, SMILES, flexibase
-0.57,-2.59,-47.5,5,3,1, 154.189, 2
hi: mol2, SDF, SMILES, flexibase
-0.57,-2.98,-5.66,4,3,0, 153.181, 2

Similar to: 39243581, 39243582,
119283
 
#32

eMolecules: 1988201
Molport: MolPort-003-801-600
Scientific Exchange (make on demand): F-405071
AK Scientific: O385
Aldrich CPR: TMT00167|ALDRICH...76 total

ref: mol2, SDF, SMILES, flexibase
-0.57,-2.68,-46.85,5,3,1, 154.189, 2
hi: mol2, SDF, SMILES, flexibase
-0.57,-3.13,-5.54,4,3,0, 153.181, 2

Similar to: 39243581, 39243582,
31164
 
#33

ChemMol: 44032245, 30100021
eMolecules: 494679, 704143, 4811686
Molport: MolPort-002-520-874
Scientific Exchange (make on demand): POD_84/0305
TCM Database @ Taiwan: tcm03_000415...150 total

ref: mol2, SDF, SMILES, flexibase
0.45,4.46,-38.34,2,2,1, 163.244, 1
lo: mol2, SDF, SMILES, flexibase
0.45,4.91,-98.5,3,2,2, 164.252, 1

Similar to: 31165, 34217846, 34217847, 37031997, 37031999, ... 8 in total.
31165
 
#34

ChemMol: 44032245, 30100021
eMolecules: 8318573, 494679, 4811686, 704143
Molport: MolPort-002-520-874
Scientific Exchange (make on demand): POD_84/0305
TCM Database @ Taiwan: tcm03_000414...195 total

ref: mol2, SDF, SMILES, flexibase
0.45,4.46,-38.36,2,2,1, 163.244, 1
lo: mol2, SDF, SMILES, flexibase
0.45,4.91,-98.49,3,2,2, 164.252, 1

Similar to: 21817193, 34217846, 34217847, 37100815, 37100816, ... 6 in total.
19203855
 
#35

ChemMol: 30102452
American Custom Chemicals Corp.: API0002778
APIChem: AC-12742
Ark Pharm Building Blocks: AK163171, AK122363
BioSynth: W-106526...85 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.78,-33.9,0,10,0, 324.293, 5

Similar to: 38796383, 38796385, 4468897, 330, ... 4 in total.
19203852
 
#36

ChemMol: 30102452
American Custom Chemicals Corp.: API0002778
APIChem: AC-12742
Ark Pharm Building Blocks: AK163171, AK122363
BioSynth: W-106526...93 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.68,-34.32,0,10,0, 324.293, 5

Similar to: 38796383, 38796385, 4468897, 330, ... 4 in total.
5424253
 
#37

ChemMol: 30109503, 44007113
Aldrich CPR: PH009945|ALDRICH
APIChem: AC-1936
Ark Pharm Building Blocks: AK121902
Boerchem Pharmatech BB: BC220775...30 total

ref: mol2, SDF, SMILES, flexibase
3.47,5.8,-8.94,2,5,0, 247.298, 4
ref: mol2, SDF, SMILES, flexibase
3.47,5.8,-9.29,2,5,0, 247.298, 4
4096507
 
#38

Enolase via KEGG (EFI): C04685_7
American Custom Chemicals Corp.: LIP0001244
Cayman Chemical: 10010
FineTech: FT-0630410
Sigma Aldrich (Building Blocks): P7265|SIGMA...49 total

ref: mol2, SDF, SMILES, flexibase
4.25,11.13,-50.76,1,4,-1, 335.464, 13
lo: mol2, SDF, SMILES, flexibase
4.25,9.16,-11.2,2,4,0, 336.472, 13

Similar to: 4096508, 5513179, 5978214, 13515987, 14500757, ... 9 in total.
120181
 
#39

ChemMol: 44002226, 30101951
Molport: MolPort-001-937-629
AK Scientific: X9955, H811
AKOS: AKOS015845828, AKOS001582723
Angene Building Blocks: AGN-PC-0QZOCZ...97 total

ref: mol2, SDF, SMILES, flexibase
3.09,9.16,-36.71,1,2,1, 254.353, 1
hi: mol2, SDF, SMILES, flexibase
0.42,6.93,-118.09,2,6,-2, 263.249, 6

Similar to: 3961549, 32209914, 32209918, 32221120, 32221121, ... 6 in total.
120186
 
#40

ChemMol: 44002226, 30101951
Molport: MolPort-001-937-629
AK Scientific: H811, X9955
AKOS: AKOS015845828, AKOS001582723
Angene Building Blocks: AGN-PC-0QZOCZ...97 total

ref: mol2, SDF, SMILES, flexibase
3.09,9.07,-36.58,1,2,1, 254.353, 1
hi: mol2, SDF, SMILES, flexibase
1.65,7.52,-17.36,2,6,0, 293.319, 8

Similar to: 3961549, 32209914, 32209918, 32221120, 32221121, ... 6 in total.
1481844
 
#41

Ark Pharm Building Blocks: AK-57378
BOC Sciences BB: 13636-18-5, 13042-18-7
FineTech: FT-0630407
MedChem Express: HY-B0984
MicroSource Pharmakon: 01501026...58 total

ref: mol2, SDF, SMILES, flexibase
5.52,13.51,-42.06,2,1,1, 316.468, 7

Similar to: 3414699, 4072734, 4072735, 6494445, 6663703, ... 8 in total.
2019529
 
#42

Ark Pharm Building Blocks: AK-57378
BOC Sciences BB: 13042-18-7, 13636-18-5
FineTech: FT-0630407
MedChem Express: HY-B0984
MicroSource Pharmakon: 01501026...58 total

ref: mol2, SDF, SMILES, flexibase
5.52,13.5,-42.05,2,1,1, 316.468, 7

Similar to: 3414699, 4072734, 4072735, 6494445, 6663703, ... 8 in total.
56646
 
#43

AK Scientific: Z3376
BioSynth: P-6820
FineTech: FT-0630406
IBScreen Bioactives: Bio-0642
Lab Seeker Building Blocks: SC-25688...101 total

ref: mol2, SDF, SMILES, flexibase
1.98,3.18,-42.7,4,4,1, 249.334, 6
hi: mol2, SDF, SMILES, flexibase
1.98,1.9,-9.07,3,4,0, 248.326, 6

Similar to: 5760486, 35875220, 35875221, 38266496, 38266498, ... 5 in total.
56645
 
#44

ChemMol: 97900474
Active BioPharma: 1033
AK Scientific: Z3376
BioSynth: P-6820
Chembo Pharma: KB-267891...104 total

ref: mol2, SDF, SMILES, flexibase
1.98,3.19,-42.74,4,4,1, 249.334, 6
hi: mol2, SDF, SMILES, flexibase
1.98,2.01,-8.94,3,4,0, 248.326, 6

Similar to: 5760486, 35875220, 35875221, 38266496, 38266498, ... 5 in total.
3831430
 
#45

ChemMol: 96707756, 80101444
eMolecules: 626462, 503822
Molport: MolPort-027-713-770
Scientific Exchange (make on demand): Z-012306, Z-007088
Acros Organics: BTB12981...167 total

ref: mol2, SDF, SMILES, flexibase
2.46,5.01,-42.89,3,1,1, 180.315, 1

Similar to: 4159387, 4159388, 8488829, 8489889, 33878151, ... 12 in total.
3831429
 
#46

ChemMol: 96707756, 80101444
eMolecules: 503822, 626462
Molport: MolPort-027-713-779, MolPort-016-637-173
Scientific Exchange (make on demand): Z-007088, Z-012306
Acros Organics: BTB12981...172 total

ref: mol2, SDF, SMILES, flexibase
2.46,5.01,-42.88,3,1,1, 180.315, 1

Similar to: 4159387, 4159388, 8488829, 8489889, 39299293, ... 11 in total.
4521813
 
#47

Enolase via KEGG (EFI): C05953_7
American Custom Chemicals Corp.: LIP0001245
Cayman Chemical: 10210
FineTech: FT-0630401
Tetrahedron Building Blocks: TS78137...34 total

ref: mol2, SDF, SMILES, flexibase
3.76,10.84,-50.1,1,4,-1, 333.448, 12
lo: mol2, SDF, SMILES, flexibase
3.76,8.86,-14.17,2,4,0, 334.456, 12

Similar to: 5023922, 5023923, 5273611, 13516012, 13521575, ... 10 in total.
1618869
 
#48

ChemMol: 30107635, 44005650
Molport: MolPort-005-938-394
AK Scientific: H017
Angene Building Blocks: AGN-PC-0O10ZA
APIChem: AC-2150...46 total

ref: mol2, SDF, SMILES, flexibase
-2.87,-0.19,-33.17,4,4,0, 179.241, 6
hi: mol2, SDF, SMILES, flexibase
-2.87,-0.48,-41.89,3,4,-1, 178.233, 6

Similar to: 1730667, 1730669, 5836947, 5836963, 32240796, ... 7 in total.
19358638
 
#49

ChemMol: 30111372, 44013431
Molport: MolPort-003-938-319
Scientific Exchange (make on demand): M-146496
Scientific Exchange Building Blocks: M-101276
AK Scientific: N738...130 total

ref: mol2, SDF, SMILES, flexibase
0.87,2.82,-43.8,2,5,1, 267.349, 5
hi: mol2, SDF, SMILES, flexibase
0.87,1.46,-7.3,1,5,0, 266.341, 5

Similar to: 34525627,
1644
 
#50

ChemMol: 80101228, 30107398, 44033210
eMolecules: 46021778, 731055
Molport: MolPort-004-288-407
Scientific Exchange (make on demand): X-048301
AK Scientific: M626...200 total

ref: mol2, SDF, SMILES, flexibase
-0.18,-2.51,-57.02,5,4,1, 187.244, 2
hi: mol2, SDF, SMILES, flexibase
-0.18,-2.91,-10.08,4,4,0, 186.236, 2
4215172
 
#51

ChemMol: 30113475
Molport: MolPort-021-784-843
AK Scientific: S190, M917
Amadis Chemical: A845644
American Custom Chemicals Corp.: API0003109...92 total

ref: mol2, SDF, SMILES, flexibase
-4.76,-14.53,-57.67,8,12,-1, 357.288, 8

Similar to: 4261817, 4556680, 4556681, 4556682, 4556683, ... 22 in total.
1530689
 
#52

ChemMol: 80101139, 97900356
Molport: MolPort-003-665-494
Acros Organics: 32932
Active BioPharma: 673
AK Scientific: M936...266 total

ref: mol2, SDF, SMILES, flexibase
6.06,15.81,-35.9,1,2,1, 372.532, 8
hi: mol2, SDF, SMILES, flexibase
6.06,13.36,-4.97,0,2,0, 371.524, 8

Similar to: 1530690, 1541645, 1548533, 1548556, 1849472, ... 19 in total.
601270
 
#53

ChemMol: 96708109
Ark Pharm Building Blocks: AK129732
BOC Sciences BB: 10457-90-6
Capot Chemical: 18557
Chembo Pharma: KB-238038...44 total

ref: mol2, SDF, SMILES, flexibase
4.43,10.84,-49.76,2,3,1, 421.33, 6
19362721
 
#54

ChemMol: 30113617
AK Scientific: Z3833
AKOS: AKOS005066066
Anward: ANW-44682, ANW-75006
APIChem: AC-8087...51 total

ref: mol2, SDF, SMILES, flexibase
4.07,11.98,-42.87,1,4,1, 381.54, 9
mid: mol2, SDF, SMILES, flexibase
4.07,12.6,-44.93,1,4,1, 381.54, 9
mid: mol2, SDF, SMILES, flexibase
4.07,10.63,-7.62,0,4,0, 380.532, 9

Similar to: 31570359, 31570363, 31570402, 31570406, 31570416, ... 15 in total.
19362722
 
#55

ChemMol: 30113617
AK Scientific: Z3833
AKOS: AKOS005066066
Anward: ANW-44682, ANW-75006
APIChem: AC-8087...51 total

ref: mol2, SDF, SMILES, flexibase
4.07,12,-43.41,1,4,1, 381.54, 9
mid: mol2, SDF, SMILES, flexibase
4.07,11.68,-43.27,1,4,1, 381.54, 9
mid: mol2, SDF, SMILES, flexibase
4.07,9.71,-8.19,0,4,0, 380.532, 9

Similar to: 31570359, 31570363, 31570402, 31570406, 31570416, ... 15 in total.
22033872
 
#56

ChemMol: 30113617
AK Scientific: Z3833
AKOS: AKOS005066066
Anward: ANW-75006, ANW-44682
APIChem: AC-8087...51 total

ref: mol2, SDF, SMILES, flexibase
4.07,11.82,-42.55,1,4,1, 381.54, 9
mid: mol2, SDF, SMILES, flexibase
4.07,9.73,-7.72,0,4,0, 380.532, 9
mid: mol2, SDF, SMILES, flexibase
4.07,11.71,-43.98,1,4,1, 381.54, 9

Similar to: 31570359, 31570363, 31570402, 31570406, 31570416, ... 15 in total.
22033882
 
#57

ChemMol: 30113617
AK Scientific: Z3833
AKOS: AKOS005066066
Anward: ANW-75006, ANW-44682
APIChem: AC-8087...52 total

ref: mol2, SDF, SMILES, flexibase
4.07,12.01,-42.68,1,4,1, 381.54, 9
mid: mol2, SDF, SMILES, flexibase
4.07,11.68,-42.79,1,4,1, 381.54, 9
mid: mol2, SDF, SMILES, flexibase
4.07,9.71,-7.91,0,4,0, 380.532, 9

Similar to: 31570359, 31570363, 31570402, 31570406, 31570416, ... 15 in total.
72
 
#58

FineTech: FT-0630476
Tetrahedron Building Blocks: TS78283
AKOS BB (make-on-demand): AKOS015888398
ChemDB: 6685206
Leadscope via PubChem: LS-66659...8 total

ref: mol2, SDF, SMILES, flexibase
5.10,1.55,-4.97,0,2,0, 336.429, 4

Similar to: 5438128,
5438128
 
#59

FineTech: FT-0630476
Tetrahedron Building Blocks: TS78283
AKOS BB (make-on-demand): AKOS015888398
ChemDB: 6685206
Leadscope via PubChem: LS-66659...8 total

ref: mol2, SDF, SMILES, flexibase
5.10,1.55,-5.04,0,2,0, 336.429, 4

Similar to: 72,
5732763
 
#60

Apollo Scientific Bioactives: BIDF1020
Capot Chemical: 9854
FineTech: FT-0630473
Indofine: 020071, 021168S
Tetrahedron Building Blocks: TS58958...18 total

ref: mol2, SDF, SMILES, flexibase
2.28,0.97,-10.7,3,6,0, 300.266, 2
mid: mol2, SDF, SMILES, flexibase
2.54,1.01,-39.12,2,6,-1, 299.258, 2
hi: mol2, SDF, SMILES, flexibase
2.28,1.76,-52.96,2,6,-1, 299.258, 2

Similar to: 2566087,
17027438
 
#61

FineTech: FT-0630472
NCI Plated 2007: 129536
PubChem: 23425894
ref: mol2, SDF, SMILES, flexibase
-2.23,2.2,-21.19,2,7,0, 310.302, 1

Similar to: 31570656, 31570659, 31570663, 31570667, 31771386, ... 16 in total.
5274041
 
#62

FineTech: FT-0630470
BindingDB.org: 93500
ChEMBL12: CHEMBL1703795
ChEMBL19: CHEMBL1703795
ChemDB: 6691819...13 total

ref: mol2, SDF, SMILES, flexibase
2.46,8.92,-17.27,1,9,0, 466.527, 9

Similar to: 14692905, 14692907, 14692908, 14692910, 16052538, ... 14 in total.
5274040
 
#63

FineTech: FT-0630470
BindingDB.org: 93500
ChEMBL12: CHEMBL1703795
ChEMBL19: CHEMBL1703795
ChemDB: 6691819...12 total

ref: mol2, SDF, SMILES, flexibase
2.46,7.97,-13.58,1,9,0, 466.527, 9

Similar to: 14692905, 14692907, 14692908, 14692910, 16052538, ... 14 in total.
5274039
 
#64

FineTech: FT-0630470
BindingDB.org: 93500
ChEMBL12: CHEMBL1703795
ChEMBL19: CHEMBL1703795
ChemDB: 6691819...13 total

ref: mol2, SDF, SMILES, flexibase
2.46,8.19,-15.53,1,9,0, 466.527, 9

Similar to: 14692905, 14692907, 14692908, 14692910, 16052538, ... 14 in total.
5274038
 
#65

FineTech: FT-0630470
BindingDB.org: 93500
ChEMBL12: CHEMBL1703795
ChEMBL19: CHEMBL1703795
ChemDB: 6691819...12 total

ref: mol2, SDF, SMILES, flexibase
2.46,8.46,-16.34,1,9,0, 466.527, 9

Similar to: 14692905, 14692907, 14692908, 14692910, 16052538, ... 14 in total.
1615112
 
#66

eMolecules: 735266
TCM Database @ Taiwan: tcm03_003251
Aldrich CPR: CDS007366|ALDRICH
Capot Chemical: 9851
FineTech: FT-0630469...20 total

ref: mol2, SDF, SMILES, flexibase
3.08,6.14,-13.4,1,9,0, 418.398, 7

Similar to: 14437306, 689777,
4098340
 
#67

ChemMol: 30107854
TCM Database @ Taiwan: tcm03_003301
AK Scientific: O673
APIChem: AC-20248
BOC Sciences BB: 20831-76-9...29 total

ref: mol2, SDF, SMILES, flexibase
-0.89,-4.27,-11.23,4,9,0, 356.327, 4

Similar to: 5037522, 5037523, 5037524, 15253449, 15253454, ... 13 in total.
85644480
 
#68

TCM Database @ Taiwan: 28041
FineTech: FT-0630467
ref: mol2, SDF, SMILES, flexibase
-0.90,-4,-14.93,4,9,0, 356.327, 4
6018563
 
#69

AfroDb Natural Products: AN_UY_016
ChemMol: 30113641
eMolecules: 5748855
Molport: MolPort-001-741-659
TCM Database @ Taiwan: 27070...28 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.64,-12.54,2,5,0, 284.267, 2
hi: mol2, SDF, SMILES, flexibase
2.64,2.74,-43.59,1,5,-1, 283.259, 2

Similar to: 39289884,
3978792
 
#70

eMolecules: 28169021
Molport: MolPort-001-740-875
TCM Database @ Taiwan: tcm03_004962, 27283
AK Scientific: W1729
American Custom Chemicals Corp.: API0003203...50 total

ref: mol2, SDF, SMILES, flexibase
-1.25,-6.41,-10.06,5,10,0, 390.385, 5

Similar to: 4102142, 4102153, 4104827, 4104828, 4268363, ... 44 in total.
39331396
 
#71

FineTech: FT-0630449
IBM Patent Data: 135822909
PubChem: 12887879
SureChEMBL: SCHEMBL8210005, SCHEMBL9614686, SCHEMBL387216, SCHEMBL12055589, SCHEMBL4023182, SCHEMBL2065830, SCHEMBL4596611
ref: mol2, SDF, SMILES, flexibase
1.27,0.25,-2.38,1,1,0, 138.992, 1
39331395
 
#72

FineTech: FT-0630449
IBM Patent Data: 135822909
PubChem: 12887879
SureChEMBL: SCHEMBL8210005, SCHEMBL9614686, SCHEMBL387216, SCHEMBL4023182, SCHEMBL2065830, SCHEMBL4596611
ref: mol2, SDF, SMILES, flexibase
1.27,0.25,-2.38,1,1,0, 138.992, 1
35092275
 
#73

TCM Database @ Taiwan: 32330
FineTech: FT-0630445
PubChem: 57691830, 16103933, 60052897
SureChEMBL: SCHEMBL6849206
ref: mol2, SDF, SMILES, flexibase
0.35,-8.47,-21.81,8,12,0, 464.379, 3
4098556
 
#74

ChemMol: 30107876, 44006144
eMolecules: 1935924
Molport: MolPort-001-740-436
TCM Database @ Taiwan: tcm03_006109, 30371, tcm03_006108
AK Scientific: O354...49 total

ref: mol2, SDF, SMILES, flexibase
0.35,-9.15,-21.21,8,12,0, 464.379, 3

Similar to: 9147120, 9147121, 9147122, 12153441, 12153442, ... 22 in total.
13130784
 
#75

ChemMol: 30107166
eMolecules: 1098870
Molport: MolPort-001-833-807
Scientific Exchange (make on demand): Z-084614
AK Scientific: N014...41 total

ref: mol2, SDF, SMILES, flexibase
1.54,2.76,-13.82,1,4,0, 253.323, 3
hi: mol2, SDF, SMILES, flexibase
0.80,5.02,-38.64,0,4,-1, 252.315, 2
hi: mol2, SDF, SMILES, flexibase
1.54,3.68,-46.37,0,4,-1, 252.315, 3

Similar to: 345309, 1214594, 6380468,
4097814
 
#76

American Custom Chemicals Corp.: CHM0029946
Chembo Pharma: KB-282702
FineTech: FT-0630441
ChEBI: CHEBI:27865
ChEMBL12: CHEMBL519971...35 total

ref: mol2, SDF, SMILES, flexibase
7.69,1.7,-1.78,1,1,0, 412.702, 5

Similar to: 1704723, 1531343, 1532563, 2169851, 1745010, ... 10 in total.
2018150
 
#77

ChemMol: 30102402
APIChem: AC-12684
BOC Sciences BB: 17109-49-8
Bosche Scientific: E2013
FineTech: FT-0630436...27 total

ref: mol2, SDF, SMILES, flexibase
4.09,14.69,-14.14,0,2,0, 310.38, 6
2018847
 
#78

AKOS: AKOS004109919
Ark Pharm Building Blocks: AK129214
Bide Pharmatech BB: BD143344
BOC Sciences BB: 15299-99-7
Chembo Pharma: KB-258393...47 total

ref: mol2, SDF, SMILES, flexibase
3.62,9.88,-13.3,0,3,0, 271.36, 5
2018846
 
#79

AKOS: AKOS004109919
Ark Pharm Building Blocks: AK129214
Bide Pharmatech BB: BD143344
BOC Sciences BB: 15299-99-7
Chembo Pharma: KB-258393...48 total

ref: mol2, SDF, SMILES, flexibase
3.62,9.84,-13.33,0,3,0, 271.36, 5
3874803
 
#80

ChemMol: 44003144, 30103287
eMolecules: 1988678
AK Scientific: M860
Alinda Building Blocks: ALBB-010476
APIChem: AC-4518...68 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.17,-11.94,2,2,0, 180.276, 3
lo: mol2, SDF, SMILES, flexibase
1.96,4.5,-45.21,3,2,1, 181.284, 3
390960
 
#81

eMolecules: 1024937
Molport: MolPort-001-804-702
Scientific Exchange (make on demand): F-393723
AK Scientific: O438
Alinda: IBS-L0126800...53 total

ref: mol2, SDF, SMILES, flexibase
3.12,5.15,-14.79,2,6,0, 300.314, 5

Similar to: 33984,
5966609
 
#82

ChemMol: 30104776
eMolecules: 715186
Molport: MolPort-004-947-157
Acros Organics: 30414
AK Scientific: HTS004807...30 total

ref: mol2, SDF, SMILES, flexibase
0.05,2.29,-14.56,1,2,0, 116.189, 0
ref: mol2, SDF, SMILES, flexibase
0.44,2.17,-12.4,1,2,0, 116.189, 0
2019782
 
#83

BOC Sciences BB: 13194-48-4
Bosche Scientific: E1635
FineTech: FT-0630399
Tetrahedron Building Blocks: TS26895
AKOS BB (make-on-demand): AKOS015897265...22 total

ref: mol2, SDF, SMILES, flexibase
2.78,10.12,-9.32,0,2,0, 242.346, 8

Similar to: 5835977, 5859918, 34478279, 36467724, 36467725, ... 5 in total.
18042802
 
#84

American Custom Chemicals Corp.: HCH0026304
FineTech: FT-0628420
Molport BB: MolPort-001-767-221
Tetrahedron Building Blocks: TS74838
Tractus: TRA0140874...8 total

mid: mol2, SDF, SMILES, flexibase
2.75,3.96,-7.77,0,5,0, 303.145, 5
mid: mol2, SDF, SMILES, flexibase
2.75,4.98,-11.14,0,5,0, 303.145, 5
86865159
 
#85

FineTech: FT-0630373
ref: mol2, SDF, SMILES, flexibase
0.61,4.73,-108.29,0,6,-2, 351.339, 2
lo: mol2, SDF, SMILES, flexibase
0.61,4.86,-53.95,1,6,-1, 352.347, 2
86865158
 
#86

FineTech: FT-0630356
ref: mol2, SDF, SMILES, flexibase
-0.04,-7.36,-18.82,7,11,0, 448.38, 4
86865157
 
#87

Chembo Pharma: KB-43793
FineTech: FT-0630303
ref: mol2, SDF, SMILES, flexibase
2.14,5.04,-33.19,1,3,1, 190.222, 2
154009
 
#88

ChemMol: 44012069, 83602920
AK Scientific: 9168AE
Boerchem Pharmatech BB: BC685768
BroadPharm: BP-10850
Chembo Pharma: KB-105621...28 total

ref: mol2, SDF, SMILES, flexibase
1.67,5.06,-34.08,0,2,-1, 181.598, 2
ref: mol2, SDF, SMILES, flexibase
1.67,5.07,-32.77,0,2,-1, 181.598, 2
mid: mol2, SDF, SMILES, flexibase
2.68,4.16,-8.77,0,2,0, 182.606, 3
86865156
 
#89

FineTech: FT-0630254
PubChem: 53428668
SureChEMBL: SCHEMBL12080793
ref: mol2, SDF, SMILES, flexibase
1.81,4.41,-7.36,0,5,0, 224.26, 4
86865155
 
#90

FineTech: FT-0630243
ref: mol2, SDF, SMILES, flexibase
1.77,5.7,-8.27,0,3,0, 185.23, 2
86865154
 
#91

FineTech: FT-0630222
ref: mol2, SDF, SMILES, flexibase
-0.71,-4.34,-42.19,0,7,-1, 175.12, 4
86865153
 
#92

FineTech: FT-0630214
ref: mol2, SDF, SMILES, flexibase
-0.61,3.96,-56.25,3,8,-1, 292.271, 5
86865152
 
#93

FineTech: FT-0630214
ref: mol2, SDF, SMILES, flexibase
-0.61,3.94,-56.81,3,8,-1, 292.271, 5
86865151
 
#94

FineTech: FT-0630214
ref: mol2, SDF, SMILES, flexibase
-0.61,3.95,-53.92,3,8,-1, 292.271, 5
86865150
 
#95

FineTech: FT-0630214
ref: mol2, SDF, SMILES, flexibase
-0.61,3.94,-53.57,3,8,-1, 292.271, 5
5606416
 
#96

ChemMol: 44020846
eMolecules: 17278634
Molport: MolPort-002-496-923, MolPort-008-751-138
AK Scientific: 6705AB
Aldrich CPR: T216402|ALDRICH...40 total

ref: mol2, SDF, SMILES, flexibase
2.36,6.32,-6.95,0,1,0, 146.189, 2
ref: mol2, SDF, SMILES, flexibase
2.36,6.36,-6.17,0,1,0, 146.189, 2
ref: mol2, SDF, SMILES, flexibase
2.38,6.31,-6.86,0,1,0, 146.189, 3

Similar to: 34622156, 38227783, 39017383,
86865149
 
#97

FineTech: FT-0630203
ref: mol2, SDF, SMILES, flexibase
1.00,2.12,-6.86,0,3,0, 172.615, 2
19371708
 
#98

eMolecules: 514116, 1012581
Molport: MolPort-001-768-421
Acorn PharmaTech: ACN-S002924
Acros Organics: 13366
Aldrich CPR: PH011527|ALDRICH...84 total

ref: mol2, SDF, SMILES, flexibase
-2.83,-1.42,-57.54,3,4,0, 130.147, 1
mid: mol2, SDF, SMILES, flexibase
-2.83,-0.15,-90.67,4,4,1, 131.155, 1
mid: mol2, SDF, SMILES, flexibase
-2.83,-1.54,-37.75,3,4,0, 130.147, 1
hi: mol2, SDF, SMILES, flexibase
-2.83,-1.75,-43.99,2,4,-1, 129.139, 1

Similar to: 33799774, 33799775, 33799776, 34563767, ... 4 in total.
84597550
 
#99

eMolecules: 514116, 1012581
Molport: MolPort-001-768-421
A&J Pharmtech: AJ-02987
Acros Organics: AC13366, 13366
ACT Chemical BB: ACT02175...117 total

86865148
 
#100

FineTech: FT-0630183
ref: mol2, SDF, SMILES, flexibase
-0.11,-1,-5.4,0,4,0, 143.142, 1

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 = 466 ) limit 0,100

Smiles were