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4016
 
#1

ChemMol: 30101082, 44034126
eMolecules: 503153
Molport: MolPort-002-215-881
AKOS: AKOS003627375
Anward: ANW-41668...51 total

ref: mol2, SDF, SMILES, flexibase
4.31,9.2,-9.43,0,3,0, 280.323, 3
4098633
 
#2

Molport: MolPort-003-937-179
TCM Database @ Taiwan: 26508, tcm03_006842
AK Scientific: O911
American Custom Chemicals Corp.: CHM0034817
Ark Pharm Building Blocks: AK109967...58 total

ref: mol2, SDF, SMILES, flexibase
1.20,-5.71,-12.37,6,8,0, 390.388, 5

Similar to: 4543421, 4543423, 4543425, 4543426, 5923201, ... 18 in total.
6037057
 
#3

Sequoia Research Products: 1165-28-2
Toronto Research Chemicals: P705162
BOC Sciences BB (Depleted): 1165-28-2
ChEMBL19: CHEMBL1908041
Food Database: FDB023826...16 total

ref: mol2, SDF, SMILES, flexibase
3.42,-4.58,-4.45,3,3,0, 336.516, 1
4339260
 
#4

eMolecules: 736866
Molport: MolPort-002-927-305
FineTech: FT-0603425
Maybridge: XBX00287
Maybridge Hit Finder: XBX00287...13 total

ref: mol2, SDF, SMILES, flexibase
-0.30,-0.01,-14.57,1,5,0, 286.331, 4

Similar to: 4339269, 5425202, 13469966,
5924106
 
#5

ChemMol: 96707903, 30111698
APIChem: AC-6932
BioSynth: Q-100736
BOC Sciences BB: 130194-92-2
Chembo Pharma: KB-10965...29 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.97,-12.98,2,7,0, 364.357, 1
hi: mol2, SDF, SMILES, flexibase
2.06,4.75,-41.09,1,7,-1, 363.349, 1

Similar to: 6371556, 13832891, 14919459, 26263256, 26891987, ... 6 in total.
4262105
 
#6

ChemMol: 42300788, 44007884
Acros Organics: 27096
AKOS: AKOS015919940
Aldrich CPR: S83055|ALDRICH
Apexmol Building Blocks: AM84846...67 total

ref: mol2, SDF, SMILES, flexibase
1.66,-5.12,-8.85,1,6,0, 260.286, 1

Similar to: 34219979, 39936, 2151218, 2169822, 134315, ... 12 in total.
13541008
 
#7

Chembo Pharma: KB-49606
Lab Seeker Building Blocks: SC-11383
Molport BB: MolPort-006-069-260
Ryan Scientific: 107-58023
Sequoia Research Products: 528-50-7...15 total

ref: mol2, SDF, SMILES, flexibase
-4.45,-15.52,-14.19,8,11,0, 342.297, 8

Similar to: 15657699, 26256569, 34547304, 40164507, ... 18 in total.
1702656
 
#8

Acros Organics: 15328
Alfa-Aesar: A11990
American Custom Chemicals Corp.: CRB0000672
Anward: ANW-31719
Apexmol Building Blocks: AM20100306...82 total

ref: mol2, SDF, SMILES, flexibase
-1.52,-6.24,-10.13,3,4,0, 134.131, 4

Similar to: 1702657, 1702658, 1702659,
3798064
 
#9

ChemMol: 44003842, 30104245
AKOS: AKOS015892544
American Custom Chemicals Corp.: TAB0000499
Angene Building Blocks: AGN-PC-0OAD3Q
APIChem: AC-7591...81 total

ref: mol2, SDF, SMILES, flexibase
0.10,-2.49,-11.31,4,8,0, 285.691, 2

Similar to: 11616248, 11616249, 38602736,
1529249
 
#10

ChemMol: 44032213
eMolecules: 1067580
Molport: MolPort-001-495-443
Scientific Exchange (make on demand): R-099767
Acros Organics: 10275...83 total

ref: mol2, SDF, SMILES, flexibase
1.01,3.97,-13.6,2,5,0, 251.282, 6

Similar to: 1562121, 4544007, 4787433, 34607627, 36488700, ... 12 in total.
882
 
#11

Amidohydrolase AH-EFI: Adenine
ChemMol: 96700838, 30103320, 96700496, 30111040, 44001390, 96700516, 42303016, 1032197, 30102591, 30111039, 44022092, 30113463, 30100934
eMolecules: 474936, 30079506
L99A/M102Q non-binders: ADENINE-SULPHATE-DIH
Molport: MolPort-003-925-179...610 total

ref: mol2, SDF, SMILES, flexibase
0.24,2.02,-9.53,3,5,0, 135.13, 0
3977779
 
#12

eMolecules: 30553575
Molport: MolPort-002-493-717
TCM Database @ Taiwan: tcm03_003124
AK Scientific: V0151
Apexmol Building Blocks: AM81249...122 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.52,-9.24,3,7,0, 410.507, 3

Similar to: 5518754, 7997059, 7999040, 11678617, 11678622, ... 56 in total.
3881977
 
#13

Molport: MolPort-002-507-429
American Custom Chemicals Corp.: API0003312
BePharm Building Blocks: B137551
IBScreen BuildingBlocks: BB_NC-01455
IBScreen NP: STOCK1N-65562...45 total

ref: mol2, SDF, SMILES, flexibase
3.90,-0.01,-5.94,1,2,0, 304.474, 0

Similar to: 401445, 1482105, 3149565, 3814360, 3814418, ... 9 in total.
3833954
 
#14

American Custom Chemicals Corp.: SHG0000527, SHG0000774
Bosche Scientific: P3679
Sequoia Research Products: 516-55-2
BindingDB.org: 50388495
Biocyc via PubChem: 3-BETA-HYDROXY-5-ALPHA-PREGNANE-20-ONE...41 total

ref: mol2, SDF, SMILES, flexibase
4.17,-0.14,-5.93,1,2,0, 318.501, 1

Similar to: 3978060, 3978061, 3978062, 3978254, 3978255, ... 78 in total.
2539734
 
#15

AK Scientific: W0268
J&K Chemical: A01402788
Sequoia Research Products: 55487-93-9
Tetrahedron Building Blocks: TS61698
Vesino Industrial Co Ltd: VZ29448...11 total

ref: mol2, SDF, SMILES, flexibase
1.11,1.02,-17.31,3,7,0, 322.313, 2

Similar to: 4073899, 4083819, 4282201, 4282211, 4282235, ... 16 in total.
4204382
 
#16

AKOS: AKOS004903264
Aldrich CPR: S296783|ALDRICH
Ark Pharm Building Blocks: AK122561
MolMall (Depleted): 90
MolMall (formerly Molecular Diversity Preservation International): 485...16 total

ref: mol2, SDF, SMILES, flexibase
-0.48,2.49,-22.79,1,11,0, 389.357, 10

Similar to: 4261918, 5227082, 5227086, 5227089, 5227094, ... 15 in total.
1532709
 
#17

BioSynth: W-202940
Molport BB: MolPort-006-069-249
Sequoia Research Products: 51532-86-6
Sigma Aldrich (Building Blocks): 68854|SIGMA
Biocyc via PubChem: CPD-368...12 total

ref: mol2, SDF, SMILES, flexibase
-2.34,-6.88,-11.21,3,5,0, 148.114, 1

Similar to: 3861798, 4353142, 4353143, 16029708, 34319195, ... 7 in total.
119978
 
#18

ChemMol: 1030452
eMolecules: 734433
TCM Database @ Taiwan: 28249
AK Scientific: Y0002
Aldrich CPR: S472433|ALDRICH...100 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.3,-13.35,5,6,0, 290.271, 1

Similar to: 3978494, 6483714, 8681596, 8681597, 14436215, ... 16 in total.
119983
 
#19

AfroDb Natural Products: NA_0034, BMC_00064, WA_0023, BMC_000104
ChemMol: 44001969, 30101481
eMolecules: 1935773, 734433
Molport: MolPort-001-740-277
TCM Database @ Taiwan: 29198...248 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.94,-11.51,5,6,0, 290.271, 1

Similar to: 4214953, 14436215, 34331254, 34331255, 34331256, ... 13 in total.
119985
 
#20

ChemMol: 1030452
eMolecules: 734433
TCM Database @ Taiwan: 26168, 34679, tcm03_008308
AK Scientific: Y0002
Aldrich CPR: S472433|ALDRICH...105 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.98,-12.32,5,6,0, 290.271, 1

Similar to: 608196, 6483714, 14436215, 34331254, 34331255, ... 18 in total.
119988
 
#21

AfroDb Natural Products: WA_0024
ChemMol: 30104000
eMolecules: 734433, 504042
Molport: MolPort-001-740-232
TCM Database @ Taiwan: tcm03_002727...162 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.31,-13.19,5,6,0, 290.271, 1

Similar to: 6483714, 14436215, 32221698, 32221699, 32221700, ... 18 in total.
3780893
 
#22

ChemMol: 80101252, 30101583, 44002060
eMolecules: 2724261
Molport: MolPort-027-564-866, MolPort-021-783-327
AKOS: AKOS015842733, AKOS005111006
Alinda: IBS-L0214140...279 total

ref: mol2, SDF, SMILES, flexibase
4.76,11.51,-13.61,1,5,0, 418.574, 7

Similar to: 3925241, 3984042, 3990542, 3990543, 3996028, ... 51 in total.
4282211
 
#23

AK Scientific: W0220
Ark Pharm Building Blocks: AK117568
BePharm Building Blocks: B99179
Chembo Pharma: KB-291077
FineTech: FT-0619136...24 total

ref: mol2, SDF, SMILES, flexibase
0.10,-8.03,-17.69,4,8,0, 338.312, 3

Similar to: 519405, 1070096, 2047175, 2133555, 2387029, ... 9 in total.
4282201
 
#24

AK Scientific: W0256
BioSynth: W-202592
Combi-Blocks: QB-8866
FineTech: FT-0619135
Fluorochem: M04131...29 total

ref: mol2, SDF, SMILES, flexibase
0.10,-8.09,-17.8,4,8,0, 338.312, 3

Similar to: 2387029, 2596997, 519405, 1070096, 2047175, ... 10 in total.
15657722
 
#25

American Custom Chemicals Corp.: SHG0000528, SHG0000906, SHG0000063
Sequoia Research Products: 520-86-5
Tetrahedron Building Blocks: TS78302
PubChem: 6452573, 3082385, 69603560, 20056460, 12358747
SureChEMBL: SCHEMBL4815069...12 total

ref: mol2, SDF, SMILES, flexibase
3.42,3.13,-4.1,3,3,0, 336.516, 1

Similar to: 3793147, 4264788, 4264790, 4264792, 4264793, ... 9 in total.
3881387
 
#26

Molport: MolPort-002-506-931
IBScreen BuildingBlocks: BB_NC-00173
IBScreen NP: STOCK1N-51450
Mcule: MCULE-2325613162
Molport BB: MolPort-002-506-931...25 total

ref: mol2, SDF, SMILES, flexibase
4.81,2.14,-4.04,0,1,0, 274.448, 0

Similar to: 394228, 967517, 968209, 1041202, 1730521, ... 9 in total.
31771386
 
#27

TCM Database @ Taiwan: tcm03_006884
Aldrich CPR: R284556|ALDRICH
BOC Sciences BB: 124-87-8
Indofine Natural Products: P-001
Sequoia Research Products: 124-87-8...28 total

ref: mol2, SDF, SMILES, flexibase
-2.23,-0.56,-16.55,2,7,0, 310.302, 1

Similar to: 34465140, 31570667, 31570663, 31570659, 31570656, ... 14 in total.
19594599
 
#28

ChemMol: 30100911, 30104417, 44001352
eMolecules: 902580, 594920
Molport: MolPort-003-666-728
APIChem: AC-8973, AC-15204
Ark Pharm Building Blocks: AK122369...133 total

ref: mol2, SDF, SMILES, flexibase
3.64,7.82,-4.17,0,1,0, 263.793, 2

Similar to: 33756547, 33756573, 39277172, 39277175, ... 5 in total.
3872178
 
#29

ChemMol: 30114597, 97900314, 30102326
Molport: MolPort-003-846-106
Active BioPharma: 616
AK Scientific: H997, M228
AKOS: AKOS015899999...168 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.12,-8.18,0,4,0, 416.304, 7

Similar to: 21299910, 31361193, 31361195, 31361197, 31361198, ... 89 in total.
3872177
 
#30

ChemMol: 30114597, 97900314
Molport: MolPort-023-220-425, MolPort-003-846-106
Active BioPharma: 616
AK Scientific: S250, M228, O181, H997
AKOS: AKOS015899999...163 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.19,-8.81,0,4,0, 416.304, 7

Similar to: 21299910, 31361193, 31361195, 31361197, 31361198, ... 89 in total.
2526765
 
#31

ChemMol: 97900314, 30114597
Molport: MolPort-003-846-106
Active BioPharma: 616
AK Scientific: M228, H997
AKOS: AKOS015899999...137 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.2,-9.47,0,4,0, 416.304, 7

Similar to: 21299910, 31361193, 31361195, 31361197, 31361198, ... 89 in total.
1996306
 
#32

ChemMol: 97900314, 30114597
Molport: MolPort-003-846-106
Active BioPharma: 616
AK Scientific: M228, H997
AKOS: AKOS015899999...145 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.13,-8.57,0,4,0, 416.304, 7

Similar to: 5761053, 5761054, 5761299, 5761300, 5765646, ... 99 in total.
5762619
 
#33

Ark Pharm Building Blocks: AK142174
BioSynth: W-106630
Combi-Blocks: QB-4385
Fluorochem: 340076
J&K Chemical: A01479182...17 total

ref: mol2, SDF, SMILES, flexibase
-1.08,-8.65,-19.86,4,10,0, 323.309, 2

Similar to: 13783924, 13783925, 13783926, 16956158, 16956160, ... 19 in total.
895313
 
#34

ChemMol: 1030552
AK Scientific: I433
Alfa-Aesar: A14189
Amadis Chemical: A849913
American Custom Chemicals Corp.: CRB0000800...117 total

ref: mol2, SDF, SMILES, flexibase
-1.14,-3.19,-9.49,2,3,0, 90.078, 2
1760169
 
#35

AK Scientific: 7579AB
Apollo Scientific Bioactives: BIFS0103
Ark Pharm Building Blocks: AK122594
BioSynth: W-203013
Chembo Pharma: KB-206632...27 total

ref: mol2, SDF, SMILES, flexibase
-1.79,-5.8,-9.04,3,4,0, 120.104, 3

Similar to: 38582170, 38582172,
12341762
 
#36

Acros Organics: 17166
AKOS: AKOS004910031
Alfa-Aesar: A10138, A15797
American Custom Chemicals Corp.: CHM0034555
Anward: ANW-43982...90 total

ref: mol2, SDF, SMILES, flexibase
-0.33,-2.14,-6.43,2,2,0, 154.256, 3
hi: mol2, SDF, SMILES, flexibase
-0.33,-1.28,-96.44,2,2,-2, 152.24, 3
hi: mol2, SDF, SMILES, flexibase
-0.33,-1.66,-37.68,2,2,-1, 153.248, 3
3861573
 
#37

Acros Organics: 20523
BioSynth: W-200085
Chemstep: 45955, 45988, 45956, 45904
Combi-Blocks: QB-7389
Molport BB: MolPort-003-928-026...39 total

ref: mol2, SDF, SMILES, flexibase
-2.22,-8.29,-9.03,4,5,0, 150.13, 0
1529213
 
#38

eMolecules: 919852
Molport: MolPort-001-770-018
Acros Organics: 20523
Aldrich CPR: S358045|ALDRICH
Alfa-Aesar: L09895...113 total

ref: mol2, SDF, SMILES, flexibase
-2.22,-7.89,-8.1,4,5,0, 150.13, 0

Similar to: 1529214, 1529215, 1532561, 1532575, 1532588, ... 18 in total.
18068098
 
#39

Molport: MolPort-003-665-711
TCM Database @ Taiwan: tcm03_000192, tcm03_007350, 26071
Acros Organics: 16703, 30287, 22586, 22598
AK Scientific: K573
Alfa-Aesar: L03253...208 total

ref: mol2, SDF, SMILES, flexibase
-2.67,-8.82,-10.23,5,5,0, 152.146, 4
3875364
 
#40

Molport: MolPort-023-220-261
TCM Database @ Taiwan: 39086
AK Scientific: H126
American Custom Chemicals Corp.: API0002654, SHG0000904
BePharm Building Blocks: B114333...66 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.62,-6.45,1,2,0, 290.447, 0
15020082
 
#41

AK Scientific: W0259
Ark Pharm Building Blocks: AK113266
BePharm Building Blocks: B99177
Indofine: M1090
J&K Chemical: A01470797...15 total

ref: mol2, SDF, SMILES, flexibase
0.53,0.02,-20.32,3,7,0, 308.286, 2

Similar to: 4282267, 4556938, 4556939, 4556940, 4556941, ... 5 in total.
15657721
 
#42

eMolecules: 4775264
Molport: MolPort-002-507-123
BioSynth: W-107523
BOC Sciences BB: 2174-13-2
IBScreen BuildingBlocks: BB_NC-00592...15 total

ref: mol2, SDF, SMILES, flexibase
4.96,10.31,-9.63,1,4,0, 371.521, 3

Similar to: 34650743, 34650744, 5381363, 5381365, 4064915, ... 11 in total.
129507
 
#43

eMolecules: 1854483
Scientific Exchange (make on demand): M-229755
AKOS: AKOS002261863
BioSynth: M-6130
FineTech: FT-0619131...22 total

ref: mol2, SDF, SMILES, flexibase
2.59,4.17,-15.4,0,4,0, 232.235, 3

Similar to: 3196016, 3196692, 6269470, 6390808, 6391075, ... 9 in total.
19735186
 
#44

eMolecules: 5759334, 814308
Molport: MolPort-003-990-885
AKOS: AKOS000274320
Asinex: BAS03049479
Asinex Building Blocks: BAS03049479...50 total

ref: mol2, SDF, SMILES, flexibase
2.49,3.89,-5.57,2,2,0, 186.258, 0

Similar to: 23583904, 23583907, 36449781,
19735187
 
#45

eMolecules: 814308, 5759334
Molport: MolPort-003-990-885
AKOS: AKOS000274320
Asinex: BAS03049479
Asinex Building Blocks: BAS03049479...52 total

ref: mol2, SDF, SMILES, flexibase
2.49,3.95,-7.13,2,2,0, 186.258, 0

Similar to: 23583904, 23583907, 36449781,
15657720
 
#46

BioSynth: W-200666
Sequoia Research Products: 10230-17-8
Toronto Research Chemicals: B282450
AKOS BB (make-on-demand): AKOS015910542
Alfa Chemistry (Depleted): ACM97590766...11 total

ref: mol2, SDF, SMILES, flexibase
-0.65,-4.35,-10.15,4,6,0, 270.281, 4

Similar to: 22050941, 22050945, 22050950, 22050955, 22050959, ... 19 in total.
5438608
 
#47

Ark Pharm Building Blocks: AK-56891
J&K Chemical: A01492559
Life Chemicals: F1507-0080
Sequoia Research Products: 10139-04-5
PubChem: 59867095...9 total

ref: mol2, SDF, SMILES, flexibase
-0.77,-3.37,-16.72,4,7,0, 297.307, 4

Similar to: 1320079,
6067783
 
#48

Sequoia Research Products: 601-01-4
Tetrahedron Building Blocks: TS79039
IBM Patent Data: 135729735
Leadscope via PubChem: LS-147257
PubChem: 101791...9 total

ref: mol2, SDF, SMILES, flexibase
2.90,-4.56,-8.74,3,4,0, 350.499, 2

Similar to: 31483214, 31483217, 33590478, 33590479, 33982681, ... 17 in total.
3875358
 
#49

Sequoia Research Products: 53-05-4
Sigma Aldrich (Building Blocks): 695971|ALDRICH
Toronto Research Chemicals: T293377, T293375
ChEMBL19: CHEMBL1908043
IBM Patent Data: 136264363...370 total

ref: mol2, SDF, SMILES, flexibase
1.80,-4.7,-10.84,3,5,0, 364.482, 2

Similar to: 4096117, 4096155, 4096741, 4096742, 4096743, ... 27 in total.
1736021
 
#50

Aldrich CPR: S442631|ALDRICH
American Custom Chemicals Corp.: GCM0000011
BOC Sciences BB: 2365-13-1
Labotest: LT03329011
NCI Plated 2007: 83572...27 total

ref: mol2, SDF, SMILES, flexibase
-3.20,4.67,-34.14,0,3,1, 160.237, 5

Similar to: 38243816, 1736017,
41419
 
#51

eMolecules: 487216
Molport: MolPort-002-802-212
AK Scientific: X6676
AKOS: AKOS003028075
Ark Pharm Building Blocks: AK-64236...27 total

ref: mol2, SDF, SMILES, flexibase
3.15,9.34,-13.16,0,4,0, 246.262, 4

Similar to: 3196692, 3359500, 6390378, 6390536, 6391075, ... 9 in total.
4521697
 
#52

Combi-Blocks: QB-4891
J&K Chemical: A01333834
Molport BB: MolPort-003-938-612
Ryan Scientific BB: 077-54757
Sequoia Research Products: 155-30-6...20 total

ref: mol2, SDF, SMILES, flexibase
-1.49,-10.03,-6.91,4,5,0, 210.251, 2

Similar to: 4557110, 4557111, 4557112, 8554022, 8554023, ... 19 in total.
2169849
 
#53

Aldrich CPR: R279196|ALDRICH
BioSynth: W-202761
Chembo Pharma: KB-55460
Combi-Blocks: QB-0976
FineTech: FT-0621143...35 total

ref: mol2, SDF, SMILES, flexibase
0.18,-1.29,-16.11,4,10,0, 347.331, 5

Similar to: 3873003, 3873004, 7998106, 22061799, 22061802, ... 12 in total.
56427
 
#54

Acorn PharmaTech: ACN-S001991
BioSynth: Q-200894
Bosche Scientific: C1607
FineTech: FT-0603174
Labotest: LT00244806...63 total

ref: mol2, SDF, SMILES, flexibase
3.03,8.26,-9.08,0,2,0, 203.285, 3

Similar to: 12503076, 34542129,
1752316
 
#55

ChemMol: 42300849
AK Scientific: Z4719
Aldrich CPR: PH008515|ALDRICH
Ark Pharm Building Blocks: AK-46709
BePharm Building Blocks: B138073...42 total

ref: mol2, SDF, SMILES, flexibase
0.07,-1.17,-7.15,1,5,0, 204.222, 2

Similar to: 4556899, 4556900, 4556901, 4556902, 22063244, ... 13 in total.
4556901
 
#56

BioSynth: W-203631
Chembo Pharma: KB-277210
CiVentiChem: CV-3105
Combi-Blocks: QB-1455
Molport BB: MolPort-006-069-229...22 total

ref: mol2, SDF, SMILES, flexibase
0.07,-0.72,-10.15,1,5,0, 204.222, 2

Similar to: 4556902, 17354688, 17354689, 22063244, 22063247, ... 17 in total.
1078624
 
#57

ChemMol: 44009134
AK Scientific: I377
AKOS: AKOS015852922
American Custom Chemicals Corp.: NUC0000639
Angene Building Blocks: AGN-PC-0O8UQC...90 total

ref: mol2, SDF, SMILES, flexibase
-1.68,-6.46,-14.66,4,8,0, 262.193, 2
hi: mol2, SDF, SMILES, flexibase
-1.22,-9.21,-53.85,3,8,-1, 261.185, 2

Similar to: 4265274, 6090974, 12651207, 32091415, 33815992, ... 5 in total.
1904
 
#58

ChemMol: 30113639
eMolecules: 872516
Molport: MolPort-000-881-264
Scientific Exchange (make on demand): F-393847
TCM Database @ Taiwan: 25778...58 total

ref: mol2, SDF, SMILES, flexibase
3.95,9.08,-17.31,0,4,0, 270.284, 3

Similar to: 43465162,
1536
 
#59

ChemMol: 30102512, 44002677
eMolecules: 539203
Molport: MolPort-002-507-432
TCM Database @ Taiwan: 28198, tcm03_003908
AK Scientific: O900...66 total

ref: mol2, SDF, SMILES, flexibase
5.01,6.6,-5.41,2,2,0, 266.34, 5

Similar to: 32265444,
58124
 
#60

eMolecules: 525010
Scientific Exchange (make on demand): POD_12/0781
AKOS: AKOS003239199
Alfa-Aesar: L14069
Alinda: IBS-L0033670...55 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.03,-14.75,2,4,0, 192.17, 0

Similar to: 32202998, 39255009, 39255011,
4098644
 
#61

ChemMol: 30107785, 44006114
eMolecules: 504178
Molport: MolPort-003-931-716
TCM Database @ Taiwan: 33062, tcm03_000326, 26496
APIChem: AC-020...87 total

ref: mol2, SDF, SMILES, flexibase
2.42,1.23,-12.42,3,5,0, 270.24, 1

Similar to: 6117135, 34547766,
4096103
 
#62

eMolecules: 207154963
American Custom Chemicals Corp.: CRB0000746
BioSynth: W-202110
Combi-Blocks: QB-7039
IBScreen NP: STOCK1N-01787...30 total

ref: mol2, SDF, SMILES, flexibase
-0.23,-10.32,-15.54,3,9,0, 295.299, 3

Similar to: 5719585, 33839618, 33839619, 33839620, 34584981, ... 14 in total.
4216870
 
#63

ChemMol: 30105140
American Custom Chemicals Corp.: API0003311
APIChem: AC-16142
BioSynth: W-105853
Bosche Scientific: M3672...38 total

ref: mol2, SDF, SMILES, flexibase
3.88,7.48,-5.68,1,2,0, 304.474, 0

Similar to: 401445, 1482105, 3149565, 3814360, 3814418, ... 9 in total.
12657088
 
#64

eMolecules: 1943364
Molport: MolPort-002-511-064
Aldrich CPR: S452920|ALDRICH
IBScreen NP: STOCK1N-09945
Mcule: MCULE-1965809270...14 total

ref: mol2, SDF, SMILES, flexibase
1.81,5.89,-17.71,2,10,0, 452.419, 8

Similar to: 16029848, 16029850, 19910977, 34226334, 34226335, ... 21 in total.
4935
 
#65

eMolecules: 731556
TCM Database @ Taiwan: 31211
AK Scientific: V1518
AnalytiCon Discovery NP: NP-001207
Chembo Pharma: KB-196361...48 total

ref: mol2, SDF, SMILES, flexibase
2.60,3.71,-9.08,2,4,0, 256.257, 1
hi: mol2, SDF, SMILES, flexibase
2.60,4.71,-51.11,1,4,-1, 255.249, 1

Similar to: 73693, 156701, 391893, 391894, 895707, ... 10 in total.
73693
 
#66

eMolecules: 1935959, 731556
Molport: MolPort-002-509-256
TCM Database @ Taiwan: tcm03_006906
AK Scientific: V1518
AKOS: AKOS004111068...74 total

ref: mol2, SDF, SMILES, flexibase
2.60,3.73,-8.72,2,4,0, 256.257, 1
hi: mol2, SDF, SMILES, flexibase
2.60,4.73,-51.08,1,4,-1, 255.249, 1

Similar to: 32266028, 32266029, 4935,
1531699
 
#67

ChemMol: 30107926, 44006159
eMolecules: 732041
Molport: MolPort-001-741-167
TCM Database @ Taiwan: 46729, tcm03_008050, 30850
American Custom Chemicals Corp.: RDL0008130...59 total

ref: mol2, SDF, SMILES, flexibase
3.78,8.35,-10.64,0,7,0, 372.373, 6

Similar to: 14645384, 32270567, 39250958, 39250959, ... 4 in total.
19204597
 
#68

eMolecules: 33455796
Molport: MolPort-001-742-532
TCM Database @ Taiwan: tcm03_000303
AK Scientific: W1169
AKOS: AKOS000730626...69 total

ref: mol2, SDF, SMILES, flexibase
2.70,7.84,-11.18,0,6,0, 369.417, 2

Similar to: 35849856, 35903056, 608165,
13518422
 
#69

eMolecules: 748270
TCM Database @ Taiwan: 33367
AK Scientific: X9772
AKOS: AKOS000122036
Aldrich CPR: OTV000035|ALDRICH...68 total

ref: mol2, SDF, SMILES, flexibase
3.04,5.52,-10.64,1,3,0, 238.242, 1
hi: mol2, SDF, SMILES, flexibase
3.30,5.6,-43.3,0,3,-1, 237.234, 1

Similar to: 33835381, 34031521, 36462733, 36469276, 39262280, ... 5 in total.
6569127
 
#70

eMolecules: 6857517
Molport: MolPort-001-740-448
TCM Database @ Taiwan: 26098
AnalytiCon Discovery NP: NP-000688
BioSynth: Q-100659...29 total

ref: mol2, SDF, SMILES, flexibase
0.06,-7.15,-21.86,7,11,0, 434.353, 3

Similar to: 14684624, 14684625, 14684626, 14684627, 15657718, ... 14 in total.
15657718
 
#71

TCM Database @ Taiwan: tcm03_003589
BioSynth: Q-100659
Sequoia Research Products: 572-30-5
Tetrahedron Building Blocks: TS82042
PubChem: 69654297...12 total

ref: mol2, SDF, SMILES, flexibase
0.06,-7.18,-18.51,7,11,0, 434.353, 3

Similar to: 25763680, 25763686, 33838160, 33838161, 33838162, ... 16 in total.
18185774
 
#72

AfroDb Natural Products: BMC_00019, NA_0033
ChemMol: 97900290, 30104097, 44003749
eMolecules: 524934
TCM Database @ Taiwan: 25810, tcm03_005016
Active BioPharma: 563...135 total

ref: mol2, SDF, SMILES, flexibase
1.97,-0.94,-14.61,4,6,0, 286.239, 1

Similar to: 6567222,
3964578
 
#73

TCM Database @ Taiwan: 26220
AK Scientific: W2520
American Custom Chemicals Corp.: API0002591
FineTech: FT-0603464
Sequoia Research Products: 545-48-2...27 total

ref: mol2, SDF, SMILES, flexibase
6.85,9.08,-2.69,2,2,0, 442.728, 1

Similar to: 3978796, 3978797, 3978798, 3978799, 3994270, ... 24 in total.
6310
 
#74

ChemMol: 30100852
eMolecules: 498059
Scientific Exchange (make on demand): POD_52/0260
Acros Organics: 10436
AKOS: AKOS000119322...168 total

ref: mol2, SDF, SMILES, flexibase
0.93,0.99,-11.28,4,4,0, 248.307, 2

Similar to: 189374,
5029557
 
#75

ChemMol: 30101049
Molport: MolPort-002-507-374
AK Scientific: I028
American Custom Chemicals Corp.: API0006449
APIChem: AC-2174...119 total

ref: mol2, SDF, SMILES, flexibase
4.04,11.72,-14.72,0,4,0, 386.532, 3

Similar to: 34585431, 38627122, 38627126, 38627130, 38627134, ... 5 in total.
4896919
 
#76

American Custom Chemicals Corp.: API0002114
BOC Sciences BB: 1173-26-8
Molport BB: MolPort-006-069-223
Sequoia Research Products: 1173-26-8
TCI: C1479...15 total

ref: mol2, SDF, SMILES, flexibase
2.59,2.27,-13.91,1,5,0, 388.504, 4

Similar to: 5378700, 5378702, 5378708, 5378710, 8552618, ... 14 in total.
3875560
 
#77

ChemMol: 44003320, 30103602
Molport: MolPort-002-507-412
TCM Database @ Taiwan: 26766
AK Scientific: H972
AKOS: AKOS015969744...157 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.59,-15.94,3,5,0, 374.477, 2

Similar to: 34352698, 34352699, 34352701, 34352702, ... 4 in total.
967327
 
#78

CCP W191G binders: MFCD00006400
ChemMol: 83601140, 1201332, 42307671, 44008658
eMolecules: 477189
Acros Organics: 10456
ACT Chemical BB: ACT09740...142 total

ref: mol2, SDF, SMILES, flexibase
0.35,0.61,-4.67,2,2,0, 94.117, 0
mid: mol2, SDF, SMILES, flexibase
0.35,0.89,-28.56,3,2,1, 95.125, 0
391815
 
#79

ChemMol: 44008528, 30100391
Molport: MolPort-001-783-875
TCM Database @ Taiwan: 30535
Alfa-Aesar: L03215
Anward: ANW-75356...92 total

ref: mol2, SDF, SMILES, flexibase
0.91,4.31,-5.98,0,3,0, 151.165, 3

Similar to: 6093434, 34329376,
14516984
 
#80

ChemMol: 2000372, 83603184, 96707561
eMolecules: 493363
L99A binders: INDOLE
L99A/M102Q binders: INDOLE
Molport: MolPort-001-738-532...754 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.53,-5.07,1,1,0, 117.151, 0

Similar to: 32208172, 39047179, 39279038,
1590
 
#81

ChemMol: 44002528
eMolecules: 523728
Scientific Exchange (make on demand): Q-049151
Acros Organics: 12260
AKOS: AKOS000119062...230 total

ref: mol2, SDF, SMILES, flexibase
-0.97,-0.4,-10.32,3,4,0, 137.142, 1
8078162
 
#82

ChemMol: 30116630
Acros Organics: 16134, 16406
AK Scientific: P371
AKOS: AKOS005145736
Alfa-Aesar: B22841...88 total

ref: mol2, SDF, SMILES, flexibase
6.83,0.94,-11.71,0,2,0, 360.46, 2

Similar to: 13221229, 34578434, 34588958, 34590512, 39049351, ... 5 in total.
3842753
 
#83

Acros Organics: 45291
AKOS: AKOS015919482
Apexmol Building Blocks: AM20100660
Apollo Scientific: PC2508
Ark Pharm Building Blocks: AK-24803...88 total

ref: mol2, SDF, SMILES, flexibase
-0.99,-3.42,-16.36,3,7,0, 296.201, 3
mid: mol2, SDF, SMILES, flexibase
-0.53,-6.08,-53.32,2,7,-1, 295.193, 3

Similar to: 3984032, 4245721, 4529568, 6090945, 6090998, ... 18 in total.
155696
 
#84

ChemMol: 2000177
eMolecules: 497080
Molport: MolPort-002-919-246
Acros Organics: 22661
AKOS: AKOS015896792...154 total

ref: mol2, SDF, SMILES, flexibase
-2.13,-4.44,-17.08,3,7,0, 228.204, 2

Similar to: 3635934, 4124398, 6524731, 8613701, 34319547, ... 12 in total.
967318
 
#85

ChemMol: 83601795, 44000159, 30105846, 96700065
eMolecules: 486546, 929926
Molport: MolPort-001-766-705, MolPort-001-641-071
Scientific Exchange (make on demand): POD_29/0622
Acros Organics: 22644...126 total

ref: mol2, SDF, SMILES, flexibase
0.06,-0.69,-12.03,2,4,0, 190.984, 0
3977737
 
#86

ChemMol: 44019457, 97602630
ACT Chemical BB: ACT03364
American Custom Chemicals Corp.: API0004639
BioSynth: W-201687
Bosche Scientific: S2809...71 total

ref: mol2, SDF, SMILES, flexibase
-2.09,-10.28,-10.17,5,10,0, 265.222, 3

Similar to: 3995962, 3995964, 3995966, 3995968, 4245682, ... 21 in total.
15657717
 
#87

Alfa-Aesar: B21224
Ark Pharm Building Blocks: AK163519
Bide Pharmatech BB: BD123258
BioSynth: W-203068
Combi-Blocks: QB-4061...20 total

ref: mol2, SDF, SMILES, flexibase
-4.39,-16.26,-13.87,8,11,0, 342.297, 4

Similar to: 5157331, 4096515, 4097483, 4097489, 4262017, ... 10 in total.
6569133
 
#88

Alfa-Aesar: B21224
American Custom Chemicals Corp.: CCH0008465
Ark Pharm Building Blocks: AK163519
Bide Pharmatech BB: BD123258
BioSynth: W-203068...32 total

ref: mol2, SDF, SMILES, flexibase
-3.27,-16.12,-12.52,8,11,0, 342.297, 4

Similar to: 12870181, 12953183, 12953190, 31541493, 31542712, ... 51 in total.
3847505
 
#89

ChemMol: 30102497, 44002665
eMolecules: 531385
TCM Database @ Taiwan: tcm03_007467
Acros Organics: 13259
AKOS: AKOS004907439...95 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-7.34,-8.93,5,7,0, 286.28, 4

Similar to: 4026347, 4083751, 4083753, 4083755, 4083757, ... 11 in total.
2539702
 
#90

ChemMol: 44002866, 30102800
eMolecules: 514568
Molport: MolPort-002-507-312
Acros Organics: 27105
Alfa-Aesar: A13105...82 total

ref: mol2, SDF, SMILES, flexibase
-2.11,-8.58,-10.25,4,6,0, 178.14, 1

Similar to: 3881805, 3881806, 4096093, 9223154, 33775589, ... 8 in total.
6066810
 
#91

Anward: ANW-41990, ANW-58905
Ark Pharm Building Blocks: AK-57822
BePharm Building Blocks: B92919
BioSynth: W-201658, W-201071
BOC Sciences BB: 18465-50-4...24 total

ref: mol2, SDF, SMILES, flexibase
-1.42,-9,-8.29,3,6,0, 206.194, 0

Similar to: 22063220, 22063223, 22063226, 22063228, 32219843, ... 43 in total.
6031665
 
#92

Anward: ANW-58905, ANW-41990
Ark Pharm Building Blocks: AK-57822
BePharm Building Blocks: B92919
BioSynth: W-201658, W-201071
BOC Sciences BB: 18465-50-4...26 total

ref: mol2, SDF, SMILES, flexibase
-1.42,-8.91,-8.43,3,6,0, 206.194, 0

Similar to: 17013354, 22063220, 22063223, 22063226, 22063228, ... 47 in total.
4428526
 
#93

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.
4083557
 
#94

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.
154679
 
#95

eMolecules: 9923178
Molport: MolPort-001-572-860
Scientific Exchange (make on demand): M-171929
AKOS: AKOS003597295
Aldrich CPR: S776211|ALDRICH...36 total

ref: mol2, SDF, SMILES, flexibase
0.06,-1.35,-16.72,4,5,0, 222.244, 4

Similar to: 3963019,
3814360
 
#96

ChemMol: 44004440, 30105142
Molport: MolPort-002-506-880, MolPort-002-510-861
American Custom Chemicals Corp.: API0004234, BAR0001824
APIChem: AC-16144
FineTech: FT-0601109...144 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.99,-5.86,1,2,0, 290.447, 0

Similar to: 3881974, 3881975, 3881976, 3881977, 4015070, ... 139 in total.
5434436
 
#97

Molport: MolPort-002-510-661, MolPort-002-507-146
AK Scientific: V1408, H581
American Custom Chemicals Corp.: CHM0017601
Ark Pharm Building Blocks: AK103604
BePharm Building Blocks: B235143...90 total

ref: mol2, SDF, SMILES, flexibase
2.86,7.5,-9.66,1,3,0, 330.468, 1

Similar to: 33964021,
3860153
 
#98

ChemMol: 44031909
eMolecules: 474741
Scientific Exchange (make on demand): H-049390
Acros Organics: 10258
AK Scientific: R109...62 total

ref: mol2, SDF, SMILES, flexibase
-0.02,1.29,-16.16,1,3,0, 159.21, 1

Similar to: 38482214, 38482215, 39899474, 39899475, ... 4 in total.
3860152
 
#99

ChemMol: 44031909
eMolecules: 474741
Scientific Exchange (make on demand): H-049390
Acros Organics: 10258
AK Scientific: R109...57 total

ref: mol2, SDF, SMILES, flexibase
-0.02,1.29,-16.17,1,3,0, 159.21, 1

Similar to: 38482214, 38482215, 39899474, 39899475, ... 4 in total.
1482006
 
#100

Labotest: LT00996366
NCI Plated 2007: 80186
Sequoia Research Products: 2642-98-0
Sigma Aldrich (Building Blocks): A47052|ALDRICH
Tetrahedron Building Blocks: TS27038...21 total

ref: mol2, SDF, SMILES, flexibase
4.88,-0.22,-7.94,2,1,0, 243.309, 0

Similar to: 3660789, 5162899, 5162901, 5935212, 5935236, ... 9 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 = 261 ) limit 0,100

Smiles were