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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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3977786
 
#1

MicroSource Pharmakon: 01503427
MicroSource World Drugs: 01503427
MolMall (Depleted): 9756
MolMall (formerly Molecular Diversity Preservation International): 19252
Collaborative Drug Discovery: 14056...9 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-7.71,-16.88,7,10,0, 434.397, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.72,-63.06,6,10,-1, 433.389, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.72,-66.89,6,10,-1, 433.389, 4

Similar to: 3977787, 8674071, 8674072, 13783526, 13783527, ... 8 in total.
3977787
 
#2

MicroSource Pharmakon: 01503427
MicroSource World Drugs: 01503427
Collaborative Drug Discovery: 14056
Individual Suppliers: UNNAMED00000028, UNNAMED00000631
PubChem: 40469422...9 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-7.71,-16.35,7,10,0, 434.397, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.71,-64.23,6,10,-1, 433.389, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.71,-64.86,6,10,-1, 433.389, 4

Similar to: 8674071, 8674072, 13783526, 13783527, 14984476, ... 8 in total.
3872424
 
#3

MicroSource Pharmakon: 01503214
MicroSource US Drugs: 01503214
ChEMBL19: CHEMBL2138464
ChemDB: 3966493
Collaborative Drug Discovery: 14057...12 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-3.6,-11.99,3,7,0, 256.258, 3

Similar to: 34524187,
3872425
 
#4

MicroSource Pharmakon: 01503214
MicroSource US Drugs: 01503214
ChEMBL19: CHEMBL2138464
ChemDB: 3966493
Collaborative Drug Discovery: 14057...12 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-2.14,-17.91,3,7,0, 256.258, 3

Similar to: 34524187,
3872426
 
#5

MicroSource Pharmakon: 01503214
MicroSource US Drugs: 01503214
ChEMBL19: CHEMBL2138464
ChemDB: 3966493
Collaborative Drug Discovery: 14057...11 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-4.23,-13.48,3,7,0, 256.258, 3

Similar to: 34524187,
3872427
 
#6

MicroSource Pharmakon: 01503214
MicroSource US Drugs: 01503214
ChEMBL19: CHEMBL2138464
ChemDB: 3966493
Collaborative Drug Discovery: 14057...11 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-3.55,-13.22,3,7,0, 256.258, 3

Similar to: 34524187,
3872928
 
#7

MicroSource Pharmakon: 01400010
MicroSource World Drugs: 01400010
Molport BB: MolPort-003-666-116
AK Scientific (Depleted): 69818
ChEMBL12: CHEMBL1372514...16 total

ref: mol2, SDF, SMILES, flexibase
4.51,9.15,-8.57,0,3,0, 280.323, 3

Similar to: 6344740, 34617096, 34690810, 36143127, 36143201, ... 5 in total.
3874248
 
#8

ChEMBL12: CHEMBL1591080
ChEMBL19: CHEMBL1591080
ChemDB: 3967451
Collaborative Drug Discovery: 14116
Individual Suppliers: UNNAMED00000551...11 total

ref: mol2, SDF, SMILES, flexibase
4.15,8.28,-8.48,0,3,0, 266.296, 2

Similar to: 34224416,
3874615
 
#9

Acros Organics: 22887
Apollo Scientific Bioactives: BIP1003
J&K Chemical: A01602957
Molport BB: MolPort-003-665-945
Ryan Scientific: 107-58841...47 total

ref: mol2, SDF, SMILES, flexibase
-0.39,0.94,-12.15,1,4,0, 154.121, 0

Similar to: 34567204, 34567207,
3874616
 
#10

Acros Organics: 22887
Apollo Scientific Bioactives: BIP1003
J&K Chemical: A01602957
Molport BB: MolPort-003-665-945
NCI Plated 2007: 8120...47 total

ref: mol2, SDF, SMILES, flexibase
-0.39,0.94,-12.15,1,4,0, 154.121, 0

Similar to: 34567204, 34567207,
18274777
 
#11

ChemMol: 30117015, 44002554, 1202927, 98000234
eMolecules: 474380
Acros Organics: 10233
ACT Chemical BB: ACT06727
AK Scientific: H865...300 total

ref: mol2, SDF, SMILES, flexibase
0.68,0.54,-10.06,2,3,0, 151.165, 1
3813042
 
#12

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.
4658603
 
#13

ChemMol: 83600678, 97800491
eMolecules: 474394
Acorn PharmaTech: ACN-S002461
Acros Organics: 17013
Alfa-Aesar: L01569...140 total

ref: mol2, SDF, SMILES, flexibase
-0.86,-1.54,-12.98,2,3,0, 75.067, 0
338221
 
#14

eMolecules: 5757570
Molport: MolPort-001-741-760
TCM Database @ Taiwan: 39701
AnalytiCon Discovery NP: NP-005012
ChEMBL12: CHEMBL500601...22 total

ref: mol2, SDF, SMILES, flexibase
3.61,5.56,-6.8,1,2,0, 204.269, 3
hi: mol2, SDF, SMILES, flexibase
3.61,6.34,-41.22,0,2,-1, 203.261, 3

Similar to: 3473269, 35786110, 38246973, 39245157, ... 4 in total.
6627681
 
#15

ChemMol: 30103163, 44003093, 80101251, 97900295, 30103164, 44003092
Scientific Exchange (make on demand): F-434596
Acros Organics: 45512
Active BioPharma: 574
AK Scientific: H148...257 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.4,-13.71,4,7,0, 290.323, 5
mid: mol2, SDF, SMILES, flexibase
1.00,4.89,-42.71,5,7,1, 291.331, 5

Similar to: 13760474, 38241914, 38241915, 38245002, 39315989, ... 10 in total.
2226
 
#16

eMolecules: 532908
Molport: MolPort-001-740-054
TCM Database @ Taiwan: tcm03_008619
Acros Organics: 22988
AK Scientific: W0082...72 total

ref: mol2, SDF, SMILES, flexibase
3.27,8.33,-11.82,0,3,0, 228.247, 0
3869597
 
#17

Aldrich CPR: R207764|ALDRICH
Sigma Aldrich (Building Blocks): C3652|SIGMA
Biocyc via PubChem: CPD-4186
ChemDB: 5581063
Collaborative Drug Discovery: 14219...16 total

ref: mol2, SDF, SMILES, flexibase
7.62,12.62,-1.56,1,1,0, 386.664, 5

Similar to: 4081881, 4081882, 4081883, 4081884, 4095573, ... 103 in total.
3869598
 
#18

ChemDB: 5581063
Collaborative Drug Discovery: 14219
MicroSource Spectrum: 01500843
PubChem: 6432730, 420, 51397477, 6710616, 51055754
SMDC MicroSource: 130122...10 total

ref: mol2, SDF, SMILES, flexibase
7.62,12.53,-1.65,1,1,0, 386.664, 5

Similar to: 4081881, 4081882, 4081883, 4081884, 4095573, ... 103 in total.
3869599
 
#19

Aldrich CPR: R207764|ALDRICH
Sigma Aldrich (Building Blocks): C3652|SIGMA
Biocyc via PubChem: CPD-4186
ChemDB: 5581063
Collaborative Drug Discovery: 14219...19 total

ref: mol2, SDF, SMILES, flexibase
7.62,12.78,-1.66,1,1,0, 386.664, 5

Similar to: 4081881, 4081882, 4081883, 4081884, 4095573, ... 103 in total.
3869600
 
#20

ChemDB: 5581063
Collaborative Drug Discovery: 14219
MicroSource Spectrum: 01500843
PubChem: 51397479, 6432730, 420, 59006252, 6710616, 51055754
SMDC MicroSource: 130122...12 total

ref: mol2, SDF, SMILES, flexibase
7.62,12.76,-1.71,1,1,0, 386.664, 5

Similar to: 4081881, 4081882, 4081883, 4081884, 4095573, ... 103 in total.
2028
 
#21

ChemMol: 44003570, 30103813
eMolecules: 484275
Molport: MolPort-000-872-000
TCM Database @ Taiwan: tcm03_007292, 31640
Acros Organics: 13229...469 total

ref: mol2, SDF, SMILES, flexibase
0.96,-1.22,-5.57,2,2,0, 110.112, 0
hi: mol2, SDF, SMILES, flexibase
0.32,1.74,-46.85,0,2,-1, 109.104, 0

Similar to: 391883,
3983877
 
#22

eMolecules: 508991
Molport: MolPort-001-742-226
TCM Database @ Taiwan: 27081, tcm03_008363
AK Scientific: W1637
AKOS: AKOS005145771...45 total

ref: mol2, SDF, SMILES, flexibase
0.68,-5.39,-15.91,6,10,0, 432.381, 4
hi: mol2, SDF, SMILES, flexibase
0.68,-4.4,-65.8,5,10,-1, 431.373, 4

Similar to: 4349019, 4349021, 4349022, 5742779, 5742780, ... 13 in total.
142824
 
#23

eMolecules: 474182
L99A/M102Q binders: ACETANILIDE
Scientific Exchange (make on demand): Z-078311
Acros Organics: 15081
AF ChemPharm: CP/2V-008...253 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.39,-8.79,1,2,0, 135.166, 1

Similar to: 2581651, 34396225,
8214931
 
#24

ChEMBL12: CHEMBL1436980
ChEMBL19: CHEMBL1436980
ChemDB: 5580785
Collaborative Drug Discovery: 14063
Individual Suppliers: UNNAMED00000410...9 total

ref: mol2, SDF, SMILES, flexibase
2.05,3.2,-9.39,0,4,0, 284.311, 5

Similar to: 34614790, 34614792, 3197539, 1620484, ... 4 in total.
1620484
 
#25

ChEMBL12: CHEMBL1436980
ChEMBL19: CHEMBL1436980
ChemDB: 5580785
Collaborative Drug Discovery: 14063, 1023532
Lipidomics: LMPK12100074...10 total

ref: mol2, SDF, SMILES, flexibase
2.05,3.19,-8.78,0,4,0, 284.311, 5

Similar to: 3197539, 8214931, 34614790, 34614792, ... 4 in total.
3079336
 
#26

ChemMol: 80101152
Scientific Exchange (make on demand): F-434646
TCM Database @ Taiwan: tcm03_000101
Acros Organics: 15917, 40018
AK Scientific: X7331...235 total

ref: mol2, SDF, SMILES, flexibase
-3.56,6.42,-34.1,0,3,1, 146.21, 4
1530937
 
#27

ChemMol: 30102986, 44002987
eMolecules: 476478
Molport: MolPort-001-790-585
Scientific Exchange (make on demand): X-048284
Acorn PharmaTech: ACN-S002284...77 total

ref: mol2, SDF, SMILES, flexibase
2.62,5.51,-6.62,2,3,0, 193.246, 5

Similar to: 37093120, 38223456, 39235411, 39235412, ... 4 in total.
3198864
 
#28

ChEMBL12: CHEMBL1485406
ChEMBL19: CHEMBL1485406
ChemDB: 5581205
Collaborative Drug Discovery: 14065
MicroSource Spectrum: 00200484...11 total

ref: mol2, SDF, SMILES, flexibase
2.88,4.99,-12.73,1,5,0, 314.337, 4

Similar to: 3198543, 3198545, 3198863,
3198863
 
#29

ChEMBL12: CHEMBL1485406
ChEMBL19: CHEMBL1485406
ChemDB: 5581205
Collaborative Drug Discovery: 14065
Individual Suppliers: UNNAMED00000352...12 total

ref: mol2, SDF, SMILES, flexibase
2.88,4.99,-11.37,1,5,0, 314.337, 4

Similar to: 3198864, 3198543, 3198545,
3978499
 
#30

ChEMBL12: CHEMBL1495954
ChEMBL19: CHEMBL1495954
ChemDB: 5580835
Collaborative Drug Discovery: 14067
MicroSource Spectrum: 00210203...8 total

ref: mol2, SDF, SMILES, flexibase
4.56,7.6,-16.24,2,6,0, 424.493, 4
hi: mol2, SDF, SMILES, flexibase
4.56,8.6,-63.55,1,6,-1, 423.485, 4

Similar to: 3978500,
3978500
 
#31

ChEMBL12: CHEMBL1495954
ChEMBL19: CHEMBL1495954
ChemDB: 5580835
Collaborative Drug Discovery: 14067
Individual Suppliers: UNNAMED00000200...9 total

ref: mol2, SDF, SMILES, flexibase
4.56,6.99,-13.39,2,6,0, 424.493, 4
hi: mol2, SDF, SMILES, flexibase
4.56,8,-57.56,1,6,-1, 423.485, 4

Similar to: 3978499,
73711
 
#32

ChemMol: 30100131
eMolecules: 510269
Scientific Exchange (make on demand): X-074877
AKOS: AKOS000120940
Alinda: IBS-L0127380...209 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.04,-9.14,1,3,0, 201.254, 1
1530856
 
#33

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...104 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.19,-10.22,3,4,0, 232.283, 2

Similar to: 3642235, 5923953, 5954857, 28767186, 28767188, ... 8 in total.
1530855
 
#34

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...100 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.15,-10.17,3,4,0, 232.283, 2

Similar to: 1530856, 3642235, 5923953, 5954857, 39270288, ... 6 in total.
4175624
 
#35

ChEMBL19: CHEMBL3039085
Collaborative Drug Discovery: 14221
SMDC MicroSource: 130127
The Broad via PubChem: BRD-K25905511-001-02-4
ref: mol2, SDF, SMILES, flexibase
0.51,-6.16,-21.64,7,14,0, 592.55, 7
hi: mol2, SDF, SMILES, flexibase
0.51,-5.18,-68.04,6,14,-1, 591.542, 7
1530668
 
#36

Element Store BB: b2star-71-81-8
Labotest: LT00772055
Labotest Building Blocks: LT00772055
MicroSource Pharmakon: 01500356
MicroSource US Drugs: 01500356...74 total

ref: mol2, SDF, SMILES, flexibase
0.11,10,-37.7,2,3,1, 353.53, 8

Similar to: 1707020, 1718667,
3983878
 
#37

Biocyc via PubChem: 7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU
ChEBI: CHEBI:15932, CHEBI:77640
ChEMBL12: CHEMBL1535342
ChEMBL19: CHEMBL1535342
Collaborative Drug Discovery: 14222...15 total

ref: mol2, SDF, SMILES, flexibase
-0.74,-8.76,-21.24,8,14,0, 564.496, 7
mid: mol2, SDF, SMILES, flexibase
-0.74,-8.39,-75.19,7,14,-1, 563.488, 7
hi: mol2, SDF, SMILES, flexibase
-0.74,-7.77,-72.39,7,14,-1, 563.488, 7

Similar to: 4349024, 4349029, 4349031, 4349034, 4349207, ... 8 in total.
38139356
 
#38

ChEMBL12: CHEMBL1553919, CHEMBL1624193
ChEMBL19: CHEMBL3040635, CHEMBL3039119, CHEMBL1553919, CHEMBL1624193
ChemDB: 5581081
Collaborative Drug Discovery: 14223
Individual Suppliers: UNNAMED00000690...17 total

ref: mol2, SDF, SMILES, flexibase
6.65,9.56,-14.76,1,8,0, 608.735, 3
lo: mol2, SDF, SMILES, flexibase
6.65,12.62,-50.54,2,8,1, 609.743, 3

Similar to: 42808101, 42808960,
1591447
 
#39

ChEMBL19: CHEMBL1976532
ChemDB: 5580859
Collaborative Drug Discovery: 14224
Lipidomics: LMPK12050088
PubChem: 343083...8 total

ref: mol2, SDF, SMILES, flexibase
3.45,5.63,-13.01,0,6,0, 326.304, 3

Similar to: 34649405,
1529819
 
#40

ChemMol: 44003568, 30108966
eMolecules: 524828
Molport: MolPort-001-783-101
TCM Database @ Taiwan: 25885, tcm03_004907
Acros Organics: 12515...134 total

ref: mol2, SDF, SMILES, flexibase
3.21,4.5,-1.93,1,1,0, 154.253, 4

Similar to: 1529820, 1529952, 1529954, 5158772, 5158840, ... 12 in total.
1529820
 
#41

ChemMol: 44003568, 30108966
eMolecules: 524828
Molport: MolPort-001-783-101
TCM Database @ Taiwan: tcm03_004908, 25689
Acros Organics: 12515...142 total

ref: mol2, SDF, SMILES, flexibase
3.21,4.46,-1.88,1,1,0, 154.253, 4

Similar to: 1529952, 1529954, 5158772, 5158840, 34536954, ... 12 in total.
1482154
 
#42

Acros Organics: 26904
Alfa-Aesar: B23197
Anward: ANW-41466
Apexmol Building Blocks: AM20020040
Capot Chemical: 2546...54 total

ref: mol2, SDF, SMILES, flexibase
0.31,1.79,-7.2,0,2,0, 72.063, 0
3978212
 
#43

Collaborative Drug Discovery: 14168
PubChem: 40469602, 59226793, 6708590
SMDC MicroSource: 130055
SMDC Public: 130055
SureChEMBL: SCHEMBL13424843...9 total

ref: mol2, SDF, SMILES, flexibase
5.80,14.93,-14.65,0,7,0, 510.627, 5

Similar to: 3978213, 3978214, 8681224, 8681225, 8681226, ... 11 in total.
3978211
 
#44

Collaborative Drug Discovery: 14168
PubChem: 40469601, 59226793, 6708590
SMDC MicroSource: 130055
SMDC Public: 130055
SureChEMBL: SCHEMBL13424843...9 total

ref: mol2, SDF, SMILES, flexibase
5.80,14.42,-16.63,0,7,0, 510.627, 5

Similar to: 3978212, 3978213, 3978214, 8681224, 8681225, ... 11 in total.
3978214
 
#45

Collaborative Drug Discovery: 14168
PubChem: 40469604, 6708590
SMDC MicroSource: 130055
SMDC Public: 130055
SureChEMBL: SCHEMBL14196984...7 total

ref: mol2, SDF, SMILES, flexibase
5.80,14.59,-17.29,0,7,0, 510.627, 5

Similar to: 8681224, 8681225, 8681226, 8681227, 33726733, ... 11 in total.
3978213
 
#46

Collaborative Drug Discovery: 14168
PubChem: 40469603, 6708590
SMDC MicroSource: 130055
SMDC Public: 130055
SureChEMBL: SCHEMBL14196984...7 total

ref: mol2, SDF, SMILES, flexibase
5.80,14.62,-17.01,0,7,0, 510.627, 5

Similar to: 3978214, 8681224, 8681225, 8681226, 8681227, ... 11 in total.
3978633
 
#47

FineTech: FT-0603283
Bitter DB: 55
ChEMBL12: CHEMBL517016
ChEMBL19: CHEMBL517016
Collaborative Drug Discovery: 14169...23 total

ref: mol2, SDF, SMILES, flexibase
0.84,9.81,-21.35,0,6,0, 388.46, 2

Similar to: 3978634, 3978635, 8681549, 14684565, 38463757, ... 10 in total.
3978634
 
#48

Collaborative Drug Discovery: 14169
MicroSource Spectrum: 00310028
PubChem: 40469754, 5702000
SMDC MicroSource: 130056
SMDC Public: 130056...6 total

ref: mol2, SDF, SMILES, flexibase
0.84,9.27,-18.56,0,6,0, 388.46, 2

Similar to: 3978635, 4879294, 8681549, 14684565, 38463757, ... 11 in total.
3978635
 
#49

Collaborative Drug Discovery: 14169
Individual Suppliers: UNNAMED00000609
MicroSource Spectrum: 00310028
PubChem: 40469755, 5702000
SMDC MicroSource: 130056...7 total

ref: mol2, SDF, SMILES, flexibase
0.84,9.18,-18.06,0,6,0, 388.46, 2

Similar to: 8681549, 14684565, 33822514, 33822515, 38463757, ... 12 in total.
934
 
#50

ChemMol: 30103265
eMolecules: 1985496
Molport: MolPort-019-692-089
AK Scientific: H153
APIChem: AC-13690...84 total

ref: mol2, SDF, SMILES, flexibase
-2.86,6.65,-31.15,2,4,1, 243.334, 4
mid: mol2, SDF, SMILES, flexibase
-2.86,7.2,-87.24,3,4,2, 244.342, 4
2151
 
#51

ChemMol: 80101504, 30101273
eMolecules: 532231
Scientific Exchange (make on demand): F-446332
Acros Organics: 25882
AK Scientific: Q815...204 total

ref: mol2, SDF, SMILES, flexibase
-0.95,2.75,-11.27,1,6,0, 180.167, 0
3978544
 
#52

ChemDB: 5580921
Collaborative Drug Discovery: 14124
PubChem: 3310692
SMDC MicroSource: 129986
ref: mol2, SDF, SMILES, flexibase
5.19,10.21,-7.58,0,7,0, 441.263, 4

Similar to: 3978597, 3978808, 3979082, 32147202, ... 5 in total.
1322
 
#53

ChemMol: 30104167, 44003786, 30101897
Molport: MolPort-001-792-502
AK Scientific: W6468
AKOS: AKOS015856460
Alfa-Aesar: B20303...103 total

ref: mol2, SDF, SMILES, flexibase
3.38,4.79,-13.99,2,3,0, 226.231, 0
ref: mol2, SDF, SMILES, flexibase
3.48,2.85,-10.96,3,3,0, 226.231, 0
hi: mol2, SDF, SMILES, flexibase
3.48,3.96,-43.55,2,3,-1, 225.223, 0
hi: mol2, SDF, SMILES, flexibase
3.38,5.78,-64.1,1,3,-1, 225.223, 0
61044
 
#54

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,
6845076
 
#55

ChemMol: 44003999, 30104435
TCM Database @ Taiwan: 26186, 34611
AK Scientific: H982
American Custom Chemicals Corp.: VIT0000023
APIChem: AC-1869...111 total

ref: mol2, SDF, SMILES, flexibase
9.84,25.65,-2.78,0,0,0, 536.888, 10

Similar to: 31976594, 31976691, 33836527, 38526939, 38526940, ... 6 in total.
57754
 
#56

ChemMol: 30108200
eMolecules: 479149
Molport: MolPort-003-665-736
TCM Database @ Taiwan: tcm03_001484, 26519
Alfa-Aesar: B23226...48 total

ref: mol2, SDF, SMILES, flexibase
2.03,4.63,-9.29,0,4,0, 206.197, 2
3872070
 
#57

ChemMol: 30100049, 44000050
eMolecules: 493608
Molport: MolPort-001-742-013
TCM Database @ Taiwan: tcm03_001381, 28889
Acros Organics: 11032...109 total

ref: mol2, SDF, SMILES, flexibase
2.94,3.96,-11.62,2,4,0, 254.241, 1
mid: mol2, SDF, SMILES, flexibase
3.20,4.26,-45.71,1,4,-1, 253.233, 1
hi: mol2, SDF, SMILES, flexibase
2.94,4.94,-56.85,1,4,-1, 253.233, 1

Similar to: 34961203, 38541619,
3938684
 
#58

IBScreen Bioactives: Bio-0037
MicroSource Pharmakon: 01500903
MicroSource US Drugs: 01500903
Prestwick Chemical: 396, Prestw-396
Sigma Aldrich (Building Blocks): E1383|SIGMA...104 total

ref: mol2, SDF, SMILES, flexibase
0.70,-7.49,-18.52,3,13,0, 588.562, 5

Similar to: 3977873, 3977874, 3977875, 3978071, 3978072, ... 29 in total.
3977873
 
#59

MicroSource Pharmakon: 01500903
MicroSource US Drugs: 01500903
Collaborative Drug Discovery: 14232
MicroSource Spectrum: 01500903
PubChem: 9916469...10 total

ref: mol2, SDF, SMILES, flexibase
0.70,-7.57,-18.26,3,13,0, 588.562, 5

Similar to: 3977874, 3977875, 3978071, 3978072, 3978073, ... 29 in total.
3977874
 
#60

IBScreen Bioactives: Bio-0037
IBScreen NP: STOCK1N-70106
MicroSource Pharmakon: 01500903
MicroSource US Drugs: 01500903
Collaborative Drug Discovery: 14232...14 total

ref: mol2, SDF, SMILES, flexibase
0.70,-7.3,-22.96,3,13,0, 588.562, 5

Similar to: 3977875, 3978071, 3978072, 3978073, 4245621, ... 29 in total.
3977875
 
#61

MicroSource Pharmakon: 01500903
MicroSource US Drugs: 01500903
Collaborative Drug Discovery: 14232
MicroSource Spectrum: 01500903
PubChem: 9851399...8 total

ref: mol2, SDF, SMILES, flexibase
0.70,-7.07,-22.72,3,13,0, 588.562, 5

Similar to: 3978071, 3978072, 3978073, 4245621, 4475163, ... 38 in total.
156701
 
#62

ChemMol: 30107878, 44023003, 96700283
eMolecules: 529508
Molport: MolPort-000-861-091, MolPort-001-796-145
TCM Database @ Taiwan: tcm03_006154, 28861
UEFS Natural Products: uefs-442...169 total

ref: mol2, SDF, SMILES, flexibase
2.12,0.88,-10.44,3,5,0, 272.256, 1
hi: mol2, SDF, SMILES, flexibase
2.12,1.87,-51.65,2,5,-1, 271.248, 1

Similar to: 519174, 2146973, 31706969, 31706975, 32266028, ... 9 in total.
4175639
 
#63

Aldrich CPR: CDS000252|ALDRICH
IBScreen Bioactives: Bio-0910
Sigma Aldrich (Building Blocks): W381101|ALDRICH, CDS000252|ALDRICH, N8757|SIGMA
Toronto Research Chemicals: N389952, N389950
ChEMBL19: CHEMBL1159645...17 total

ref: mol2, SDF, SMILES, flexibase
-0.01,-18.71,-23.9,9,15,0, 612.581, 10

Similar to: 4252643, 4252654, 4252672, 4252683, 31489898, ... 7 in total.
3977895
 
#64

PubChem: 5702145
SMDC MicroSource: 130061
The Broad via PubChem: BRD-A84867566-001-02-0
ref: mol2, SDF, SMILES, flexibase
-0.01,-18.43,-27,9,15,0, 612.581, 10

Similar to: 3977896, 4175639, 4252643, 4252654, 4252672, ... 7 in total.
3977896
 
#65

PubChem: 5702145
SMDC MicroSource: 130061
The Broad via PubChem: BRD-A84867566-001-02-0
ref: mol2, SDF, SMILES, flexibase
-0.01,-17.63,-25.95,9,15,0, 612.581, 10

Similar to: 4175639, 4252643, 4252654, 4252672, 4252683, ... 7 in total.
3977894
 
#66

Indofine: 021236S
Collaborative Drug Discovery: 14173
Individual Suppliers: UNNAMED00000136
MicroSource Spectrum: 01500752
PubChem: 40469466...11 total

ref: mol2, SDF, SMILES, flexibase
0.64,-6.49,-18.02,7,11,0, 448.38, 3

Similar to: 4096845, 4098556, 4175638, 4349341, 4349347, ... 41 in total.
4175638
 
#67

ChemMol: 30107899, 44006150
eMolecules: 531297
TCM Database @ Taiwan: 27944, tcm03_006703
AK Scientific: O981
AKOS: AKOS000278033...75 total

ref: mol2, SDF, SMILES, flexibase
0.64,-6.97,-18.35,7,11,0, 448.38, 3
ref: mol2, SDF, SMILES, flexibase
0.64,-7.57,-22.76,7,11,0, 448.38, 3
hi: mol2, SDF, SMILES, flexibase
0.64,-6.48,-60.62,6,11,-1, 447.372, 3

Similar to: 9147120, 9147121, 9147122, 12153441, 12153442, ... 23 in total.
8681816
 
#68

ChEMBL12: CHEMBL1514330
Collaborative Drug Discovery: 14234
MicroSource Spectrum: 01503994
PubChem: 6324958, 51439661, 6710620
SMDC MicroSource: 130142...7 total

ref: mol2, SDF, SMILES, flexibase
0.11,-9.48,-24.57,5,10,0, 550.645, 4
8214530
 
#69

Sigma Aldrich (Building Blocks): C9140|SIGMA
ChEBI: CHEBI:27663
ChEMBL12: CHEMBL399336, CHEMBL1514330
ChEMBL19: CHEMBL399336
Collaborative Drug Discovery: 14234...19 total

ref: mol2, SDF, SMILES, flexibase
0.11,-8.66,-21.72,5,10,0, 550.645, 4

Similar to: 8214571, 8214654, 8214726, 8214727, 8214728, ... 18 in total.
15449999
 
#70

Collaborative Drug Discovery: 14234
Individual Suppliers: UNNAMED00000445
MicroSource Spectrum: 01503994
PubChem: 51546428, 6710620
SMDC MicroSource: 130142...6 total

ref: mol2, SDF, SMILES, flexibase
0.11,-1.28,-22.44,5,10,0, 550.645, 4

Similar to: 8214530, 8214571, 8214654, 8214726, 8214727, ... 9 in total.
15450001
 
#71

Collaborative Drug Discovery: 14234
MicroSource Spectrum: 01503994
PubChem: 6710620, 51546429, 10325260
SMDC MicroSource: 130142
ref: mol2, SDF, SMILES, flexibase
0.11,0.42,-23.42,5,10,0, 550.645, 4

Similar to: 8214530, 8214571, 8214654, 8214726, 8214727, ... 9 in total.
18847034
 
#72

ChemMol: 30102590, 44002736, 97900289
eMolecules: 496368
Molport: MolPort-000-003-017
TCM Database @ Taiwan: tcm03_001884, 26187
Acorn PharmaTech: ACN-S001645...126 total

ref: mol2, SDF, SMILES, flexibase
2.56,2.64,-11.61,2,4,0, 254.241, 1

Similar to: 34031521, 36462733, 36469276, 39262280, ... 4 in total.
3871495
 
#73

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-52225-20-4, b2star-58-95-7, b2star-7695-91-2
FineTech: FT-0624407
Labotest: LT00441285...36 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.84,-8.46,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 68 in total.
3871496
 
#74

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-58-95-7, b2star-7695-91-2, b2star-52225-20-4
FineTech: FT-0624407
Labotest: LT00441285...38 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.81,-8.63,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 73 in total.
3871497
 
#75

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-7695-91-2, b2star-52225-20-4, b2star-58-95-7
FineTech: FT-0624407
Labotest: LT00441285...37 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.83,-8.59,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 65 in total.
3871498
 
#76

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-52225-20-4, b2star-58-95-7, b2star-7695-91-2
FineTech: FT-0624407, FT-0625431
Labotest: LT00441285...40 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.8,-8.64,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 65 in total.
3079337
 
#77

TCM Database @ Taiwan: tcm03_001372
Acros Organics: 38672, 11029
AK Scientific: 2907AC, P576, K112
Alfa-Aesar: L00860, A15828, B24443
Angene Building Blocks: AGN-PC-0038JN...774 total

ref: mol2, SDF, SMILES, flexibase
-4.24,2.42,-27.92,1,2,1, 104.173, 2
706
 
#78

Molport: MolPort-002-526-863
TCM Database @ Taiwan: tcm03_007493
AK Scientific: M892
BioSynth: Q-100313, Q-100647
BOC Sciences BB: 112025-60-2...115 total

ref: mol2, SDF, SMILES, flexibase
0.80,8.33,-30.58,0,5,1, 332.335, 0
8214970
 
#79

AnalytiCon Discovery NP (Depleted): NP-008679
Collaborative Drug Discovery: 14237
PubChem: 6708762, 10392350, 45359914
SMDC MicroSource: 130146
ref: mol2, SDF, SMILES, flexibase
2.14,-4.74,-20.07,3,8,0, 534.69, 4

Similar to: 42805593, 43285215, 43285218, 43285221, 43285224, ... 15 in total.
8214971
 
#80

Collaborative Drug Discovery: 14237
NPACT Database: NPACT00852
PubChem: 10392350, 6708762, 11800467
SMDC MicroSource: 130146
ref: mol2, SDF, SMILES, flexibase
2.14,-3.88,-18.56,3,8,0, 534.69, 4

Similar to: 42805593, 43285215, 43285218, 43285221, 43285224, ... 15 in total.
3473153
 
#81

BOC Sciences BB (Depleted): 1433-08-5
ChEMBL12: CHEMBL1520512
ChEMBL19: CHEMBL1520512
Collaborative Drug Discovery: 14127
Individual Suppliers: UNNAMED00000178...12 total

ref: mol2, SDF, SMILES, flexibase
4.01,6.51,-9.6,0,4,0, 282.295, 2

Similar to: 33822822, 35803956, 35804247,
3860715
 
#82

eMolecules: 730748, 510195
Molport: MolPort-002-507-351, MolPort-016-633-338
AK Scientific: 2901AC
AKOS: AKOS004910398
American Custom Chemicals Corp.: API0004105...103 total

ref: mol2, SDF, SMILES, flexibase
3.59,8.74,-11.43,0,6,0, 394.423, 3

Similar to: 3947513, 3947514, 3947515, 3947516, 3978464, ... 11 in total.
3871663
 
#83

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...23 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.58,-15.75,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 29 in total.
3871664
 
#84

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...26 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.84,-19.07,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 24 in total.
3871665
 
#85

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...23 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.89,-15.45,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 25 in total.
3871666
 
#86

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...26 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.84,-18.44,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 25 in total.
56555
 
#87

ChemMol: 80101118
Molport: MolPort-001-572-862, MolPort-000-847-203
Scientific Exchange (make on demand): K-088339, Z-012882, POD_02/0238
TCM Database @ Taiwan: tcm03_006626
Acros Organics: 20722...234 total

ref: mol2, SDF, SMILES, flexibase
3.52,7.44,-12.61,0,5,0, 339.391, 6
lo: mol2, SDF, SMILES, flexibase
3.52,7.64,-41.45,1,5,1, 340.399, 6

Similar to: 597747, 608327, 5929499, 34453310, 34572157, ... 14 in total.
1571009
 
#88

ChemMol: 44009576
eMolecules: 44240040, 515815
Molport: MolPort-023-310-178, MolPort-001-794-650
Acros Organics: 10538
AK Scientific: M019...155 total

ref: mol2, SDF, SMILES, flexibase
2.66,15.86,-33.55,0,3,1, 412.638, 12

Similar to: 38453236, 38453237,
12358719
 
#89

ChemMol: 44002074, 30106272, 44005252, 30113594
eMolecules: 476470
Scientific Exchange (make on demand): R-091033, POD_18/0924
Acorn PharmaTech: ACN-S002294
Acros Organics: 15078...198 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.93,-6.96,2,3,0, 165.192, 3

Similar to: 34347629, 39244401, 5161840,
56654
 
#90

ChemMol: 2101382
eMolecules: 524621
Scientific Exchange (make on demand): F-441733
TCM Database @ Taiwan: tcm03_004700
AKOS: AKOS002281934...66 total

ref: mol2, SDF, SMILES, flexibase
2.29,6.27,-12.84,0,5,0, 260.245, 2

Similar to: 32264091, 34350948, 34569208, 34600531, 34634731, ... 34 in total.
3978043
 
#91

MicroSource Pharmakon: 01500144
MicroSource US Drugs: 01500144
ChEMBL12: CHEMBL1610678, CHEMBL1377507
ChEMBL19: CHEMBL1610678, CHEMBL1377507
Collaborative Drug Discovery: 14133...19 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.53,-15.8,3,5,0, 392.467, 2

Similar to: 3876094, 3876093, 3876092, 3875332, 3830288, ... 9 in total.
3876136
 
#92

Apollo Scientific: PC6107
Bosche Scientific: B4898
Combi-Blocks: QA-0291
KeyOrganics Bioactives: KS-5302
MedChem Express: HY-13570A...182 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.57,-15.1,3,5,0, 392.467, 2

Similar to: 5735960, 39282415, 39282416, 39282417, 39282418, ... 5 in total.
3978044
 
#93

MicroSource Pharmakon: 01500144
MicroSource US Drugs: 01500144
ChEMBL12: CHEMBL1610678
ChEMBL19: CHEMBL1610678
Collaborative Drug Discovery: 14133...12 total

ref: mol2, SDF, SMILES, flexibase
2.06,-2.29,-13.51,3,5,0, 392.467, 2

Similar to: 3876094, 3876093, 3876092, 3875332, 3830288, ... 9 in total.
3978045
 
#94

MicroSource Pharmakon: 01500144
MicroSource US Drugs: 01500144
ChEMBL12: CHEMBL1610678
ChEMBL19: CHEMBL1610678
Collaborative Drug Discovery: 14133...13 total

ref: mol2, SDF, SMILES, flexibase
2.06,-2.84,-13.16,3,5,0, 392.467, 2

Similar to: 3876094, 3876093, 3876092, 3875332, 3830288, ... 9 in total.
19632769
 
#95

eMolecules: 1096780
Molport: MolPort-001-728-163
Scientific Exchange (make on demand): F-278698
TCM Database @ Taiwan: tcm03_000189
Alinda: IBS-L0126567...34 total

ref: mol2, SDF, SMILES, flexibase
2.88,6.1,-20.35,0,7,0, 367.357, 1

Similar to: 19899010, 19899011, 31490254, 38543152, ... 5 in total.
19899011
 
#96

Molport: MolPort-001-728-112
Scientific Exchange (make on demand): F-278698
TCM Database @ Taiwan: 33985
AK Scientific: V0271
American Custom Chemicals Corp.: API0002224...63 total

ref: mol2, SDF, SMILES, flexibase
2.88,5.78,-13.2,0,7,0, 367.357, 1

Similar to: 31490254, 31502675, 38543152,
403848
 
#97

Aldrich CPR: R188573|ALDRICH
MicroSource Pharmakon: 01500275
MicroSource US Drugs: 01500275
ChEMBL12: CHEMBL1474552
ChEMBL19: CHEMBL1474552...20 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.29,-7.39,1,2,0, 268.356, 0

Similar to: 5751002, 5764442, 5764555, 34548657, 34548659, ... 12 in total.
402900
 
#98

Aldrich CPR: R188573|ALDRICH
American Custom Chemicals Corp.: SHG0000394
MedChem Express: HY-B1176
MicroSource Pharmakon: 01500275
MicroSource US Drugs: 01500275...63 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.11,-7.47,1,2,0, 268.356, 0

Similar to: 5751002, 5764442, 5764555, 34548657, 34548659, ... 12 in total.
3872469
 
#99

Aldrich CPR: R188573|ALDRICH
MicroSource Pharmakon: 01500275
MicroSource US Drugs: 01500275
ChEMBL12: CHEMBL1474552
ChEMBL19: CHEMBL1474552...18 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.33,-7.31,1,2,0, 268.356, 0

Similar to: 5751002, 5764442, 5764555, 34548657, 34548659, ... 12 in total.
402898
 
#100

Aldrich CPR: R188573|ALDRICH
MicroSource Pharmakon: 01500275
MicroSource US Drugs: 01500275
Molcan: equilin, equilin
ChEMBL12: CHEMBL1357130...25 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.07,-7.43,1,2,0, 268.356, 0

Similar to: 5751002, 5764442, 5764555, 34548657, 34548659, ... 12 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 = 575 ) limit 0,100

Smiles were