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33359803
 
#1

BindingDB.org: 43201
ChEMBL12: CHEMBL1504113
ChEMBL19: CHEMBL1504113
Collaborative Drug Discovery: 1732, 341362, 313610
NIH Clinical Collection: SAM001246892...9 total

ref: mol2, SDF, SMILES, flexibase
-0.18,0.72,-70.25,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
-0.18,2.31,-71.88,6,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
0.55,3.66,-114.9,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.10,0.47,-60.29,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.10,4.71,-59.03,7,11,1, 528.582, 4
hi: mol2, SDF, SMILES, flexibase
0.10,1.45,-117.93,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.55,1.02,-143.69,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.74,-1.48,-128.16,4,11,-2, 525.558, 4
lo: mol2, SDF, SMILES, flexibase
0.74,1.8,-59.39,6,11,0, 527.574, 4
lo: mol2, SDF, SMILES, flexibase
0.74,3.07,-77.91,6,11,0, 527.574, 4
27650753
 
#2

BindingDB.org: 43201
ChEMBL12: CHEMBL1504113
ChEMBL19: CHEMBL1504113
Collaborative Drug Discovery: 1732, 313610, 341362, 48061, 958356
Leadscope via PubChem: LS-93872...16 total

ref: mol2, SDF, SMILES, flexibase
-0.18,0.64,-71.59,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.55,5.05,-75.77,6,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.18,2,-72.37,6,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
0.55,2.95,-107.62,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.10,3.56,-56.19,7,11,1, 528.582, 4
hi: mol2, SDF, SMILES, flexibase
0.55,0.31,-136.74,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.74,-1.48,-127.01,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.10,-0.17,-123.25,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.10,-1.17,-59.84,5,11,-1, 526.566, 4
lo: mol2, SDF, SMILES, flexibase
0.74,2.12,-62.86,6,11,0, 527.574, 4
lo: mol2, SDF, SMILES, flexibase
0.74,2.53,-77.31,6,11,0, 527.574, 4
33359804
 
#3

BindingDB.org: 43201
ChEMBL12: CHEMBL1504113
ChEMBL19: CHEMBL1504113
Collaborative Drug Discovery: 1732, 341362, 313610
NIH Clinical Collection: SAM001246892...9 total

ref: mol2, SDF, SMILES, flexibase
-0.18,-0.04,-75.72,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.55,3.36,-119.41,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.10,0,-64.03,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.10,4.21,-64.84,7,11,1, 528.582, 4
mid: mol2, SDF, SMILES, flexibase
-0.18,1.45,-80.11,6,11,0, 527.574, 4
hi: mol2, SDF, SMILES, flexibase
0.10,1,-119.88,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.55,0.72,-149.66,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.74,-2.1,-135.94,4,11,-2, 525.558, 4
lo: mol2, SDF, SMILES, flexibase
0.74,1.78,-63.74,6,11,0, 527.574, 4
lo: mol2, SDF, SMILES, flexibase
0.74,2.35,-86.37,6,11,0, 527.574, 4
14880004
 
#4

MicroSource Pharmakon: 01505684
MicroSource US Drugs: 01505684
BindingDB.org: 92398, 136693, 43201
ChEBI: CHEBI:63334
ChEMBL DrugStore: CHEMBL1237046...56 total

ref: mol2, SDF, SMILES, flexibase
0.10,1.91,-47.63,6,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
0.55,5.19,-81.75,6,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.18,1.61,-70.12,6,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
0.10,3.87,-60.38,7,11,1, 528.582, 4
mid: mol2, SDF, SMILES, flexibase
0.55,3.07,-121.67,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
0.55,2.66,-98.91,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
-0.63,0.33,-70.08,5,11,-1, 526.566, 4
mid: mol2, SDF, SMILES, flexibase
-0.63,1.7,-69.55,6,11,0, 527.574, 4
hi: mol2, SDF, SMILES, flexibase
0.55,0.63,-131.39,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.74,-1.75,-133.92,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.63,-0.8,-18.9,6,11,0, 527.574, 4
hi: mol2, SDF, SMILES, flexibase
0.10,0.27,-119.74,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.55,0.44,-150.78,4,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
0.10,-0.73,-63.67,5,11,-1, 526.566, 4
hi: mol2, SDF, SMILES, flexibase
-0.63,0.2,-68.1,5,11,-1, 526.566, 4
hi: mol2, SDF, SMILES, flexibase
0.29,-2.14,-141.04,4,11,-2, 525.558, 4
lo: mol2, SDF, SMILES, flexibase
0.74,2.58,-83.74,6,11,0, 527.574, 4
lo: mol2, SDF, SMILES, flexibase
0.74,2.14,-87.44,6,11,0, 527.574, 4
6500184
 
#5

ChemMol: 44003816, 30104216
Acros Organics: 16441
APIChem: AC-14899
Aronis: a01265
BioSynth: Q-101251...273 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.07,-7.05,1,2,0, 288.431, 0
ref: mol2, SDF, SMILES, flexibase
3.99,5.16,-4.08,2,2,0, 288.431, 0

Similar to: 11592545, 11592546, 103270, 490793, 490794, ... 11 in total.
19796039
 
#6

ChemMol: 44004366, 30101852, 44009268, 97900739, 30104979, 44002250
eMolecules: 2724677, 901374
Molport: MolPort-001-759-081, MolPort-023-220-500
Active BioPharma: 1548
AK Scientific: K577...375 total

ref: mol2, SDF, SMILES, flexibase
2.58,7.61,-58.02,4,7,1, 409.89, 10
hi: mol2, SDF, SMILES, flexibase
1.83,6.31,-39.45,2,7,-1, 407.874, 9
hi: mol2, SDF, SMILES, flexibase
2.58,7.16,-13.89,3,7,0, 408.882, 10
hi: mol2, SDF, SMILES, flexibase
1.83,6.31,-37.58,2,7,-1, 407.874, 9
hi: mol2, SDF, SMILES, flexibase
1.83,6.18,-41.75,2,7,-1, 407.874, 9

Similar to: 34026908, 34026909, 34026910, 34026911, 34038961, ... 34 in total.
19796041
 
#7

ChemMol: 30101852, 44009268, 30104979, 30109462, 44002250, 44004366, 97900739
eMolecules: 901374, 2724677
Molport: MolPort-001-759-081
Active BioPharma: 1548
AK Scientific: L959...343 total

ref: mol2, SDF, SMILES, flexibase
2.58,7.61,-60.61,4,7,1, 409.89, 10
hi: mol2, SDF, SMILES, flexibase
2.58,7.17,-11.79,3,7,0, 408.882, 10
hi: mol2, SDF, SMILES, flexibase
1.83,6.31,-39.43,2,7,-1, 407.874, 9
hi: mol2, SDF, SMILES, flexibase
1.83,6.3,-37.5,2,7,-1, 407.874, 9
hi: mol2, SDF, SMILES, flexibase
1.83,6.17,-40.72,2,7,-1, 407.874, 9

Similar to: 34026908, 34026909, 34026910, 34026911, 34038961, ... 32 in total.
49605676
 
#8

Active BioPharma: 1787
Chembo Pharma: KB-144408
Molport BB: MolPort-003-983-564
Sigma Aldrich (Building Blocks): M5060|SIGMA
Tractus: TRA0010358...33 total

49772267
 
#9

Active BioPharma: 1575
AK Scientific: 6580AA
Amadis Chemical: A846232
Anward: ANW-60396
Ark Pharm Building Blocks: AK101209...22 total

13579814
 
#10

Molport BB: MolPort-003-983-656
Tetrahedron Building Blocks: TS53204
Tocris: 2090
Tractus: TRA0158099
BindingDB.org: 50062397...20 total

ref: mol2, SDF, SMILES, flexibase
1.88,7.64,-8.48,2,5,0, 231.303, 5
ref: mol2, SDF, SMILES, flexibase
1.88,9.38,-6.25,2,5,0, 231.303, 5
ref: mol2, SDF, SMILES, flexibase
1.88,9.4,-8.38,2,5,0, 231.303, 5

Similar to: 32130993, 5315183,
36372506
 
#11

ChEMBL12: CHEMBL1504113
ChEMBL19: CHEMBL1504113
Collaborative Drug Discovery: 313610
NIH Clinical Collection: SAM001246892
NIH Clinical Collection via PubChem: SAM001246892...5 total

ref: mol2, SDF, SMILES, flexibase
-0.48,4.84,-56.91,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,3.73,-77.25,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,6.25,-115.86,6,11,0, 528.582, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,6.64,-63.49,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
0.55,5.76,-76.13,6,11,0, 527.574, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,2.32,-73.03,4,11,-1, 526.566, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,3.31,-136.11,3,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,5.02,-98.08,3,11,0, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,4.02,-46.83,4,11,0, 526.566, 4

Similar to: 37867465, 37868241, 37868320, 43589866, 43589868, ... 7 in total.
36378569
 
#12

ChEMBL12: CHEMBL1504113
ChEMBL19: CHEMBL1504113
Collaborative Drug Discovery: 313610
NIH Clinical Collection: SAM001246892
NIH Clinical Collection via PubChem: SAM001246892...6 total

ref: mol2, SDF, SMILES, flexibase
-0.48,3.43,-53.62,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,6.41,-77,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,5.4,-92.1,6,11,0, 528.582, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,2.81,-74.44,5,11,0, 527.574, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,3.77,-103.79,4,11,-1, 526.566, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,4.77,-170.09,3,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,1.83,-130.07,3,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,0.84,-68.73,4,11,-1, 526.566, 4

Similar to: 37541150, 37541152, 37541154, 37867465, 37868241, ... 12 in total.
36372505
 
#13

ChEMBL12: CHEMBL1504113
ChEMBL19: CHEMBL1504113
Collaborative Drug Discovery: 313610
NIH Clinical Collection: SAM001246892
NIH Clinical Collection via PubChem: SAM001246892...5 total

ref: mol2, SDF, SMILES, flexibase
-0.48,4.41,-54.33,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,3.34,-75.24,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,5.92,-117.29,6,11,0, 528.582, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,7.1,-66.37,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
0.55,5.19,-83.81,6,11,0, 527.574, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,1.91,-71.41,4,11,-1, 526.566, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,2.92,-135.95,3,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,5.46,-101.8,3,11,0, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,4.46,-52.19,4,11,0, 526.566, 4

Similar to: 36372506, 37867465, 37868241, 37868320, 43589866, ... 7 in total.
37867465
 
#14

ChEMBL12: CHEMBL1504113
ChEMBL19: CHEMBL1504113
Collaborative Drug Discovery: 313610
Individual Suppliers: C14880004
NIH Clinical Collection: SAM001246892...8 total

ref: mol2, SDF, SMILES, flexibase
-1.21,1.69,-74.73,4,11,-1, 526.566, 4
ref: mol2, SDF, SMILES, flexibase
-0.48,4.3,-55.6,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
0.29,2.62,-84.88,6,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-0.29,3.09,-56.03,6,11,1, 528.582, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,6.35,-69.02,5,11,0, 527.574, 4
mid: mol2, SDF, SMILES, flexibase
-1.21,1.09,-21.86,5,11,0, 527.574, 4
hi: mol2, SDF, SMILES, flexibase
-1.21,4.36,-120.99,4,11,-1, 526.566, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,4.98,-153.77,3,11,-2, 525.558, 4
hi: mol2, SDF, SMILES, flexibase
-0.48,3.99,-85.93,4,11,-1, 526.566, 4
lo: mol2, SDF, SMILES, flexibase
-0.29,3.15,-58.85,6,11,1, 528.582, 4
lo: mol2, SDF, SMILES, flexibase
-0.29,1.43,-50.82,5,11,0, 527.574, 4

Similar to: 37868241, 37868320, 43589866, 43589868, 43589869, ... 12 in total.
19632713
 
#15

ChemMol: 97900470, 30101559, 44002035
eMolecules: 592477
Scientific Exchange: POD_44/0945
Active BioPharma: 1029
AKOS: AKOS015852459...129 total

ref: mol2, SDF, SMILES, flexibase
4.10,11.26,-18.9,1,9,0, 418.446, 10

Similar to: 31861381, 33776615, 33776616, 34037694, 34037695, ... 12 in total.
57988506
 
#16

Molport BB: MolPort-003-941-330
BindingDB.org: 10608, 50055182
ChEMBL12: CHEMBL1443856
ChEMBL19: CHEMBL306319, CHEMBL1443856
Collaborative Drug Discovery: 215654...12 total

33971762
 
#17

eMolecules: 1971450
Molport: MolPort-004-955-150
Scientific Exchange (make on demand): F-137784
AnalytiCon Discovery NP: NP-010653
APIChem: AC-15983...53 total

ref: mol2, SDF, SMILES, flexibase
1.90,-0.07,-7.08,1,5,0, 275.352, 2
mid: mol2, SDF, SMILES, flexibase
1.90,2.61,-39.01,2,5,1, 276.36, 2
lo: mol2, SDF, SMILES, flexibase
1.90,4.54,-76.78,3,5,2, 277.368, 2

Similar to: 38227942, 38227943, 38227945, 38227947, 38284818, ... 6 in total.
19227923
 
#18

ChemMol: 44002343, 97900430, 30101989
eMolecules: 592473
Scientific Exchange (make on demand): POD_97/0068
Active BioPharma: 907
APIChem: AC-648...81 total

ref: mol2, SDF, SMILES, flexibase
3.19,9.32,-35.55,0,8,-1, 359.358, 6

Similar to: 31542156, 31542161, 31853334, 31861360, 31861364, ... 37 in total.
19227925
 
#19

ChemMol: 44002343, 30101989, 97900430
eMolecules: 592473
Scientific Exchange (make on demand): POD_97/0068
Active BioPharma: 907
AKOS: AKOS000622913...111 total

ref: mol2, SDF, SMILES, flexibase
3.94,10.4,-17.04,1,8,0, 360.366, 7

Similar to: 31542156, 31542161, 31853334, 31861360, 31861364, ... 34 in total.
21984084
 
#20

Active BioPharma: 1979
AK Scientific: H959, R463
Amadis Chemical: A845356, A845355
Anward: ANW-45416
APIChem: AC-1673...56 total

ref: mol2, SDF, SMILES, flexibase
1.92,6.74,-46.91,3,7,1, 428.553, 9
mid: mol2, SDF, SMILES, flexibase
1.92,4.54,-14.78,2,7,0, 427.545, 9
mid: mol2, SDF, SMILES, flexibase
1.92,6.89,-46.27,3,7,1, 428.553, 9

Similar to: 34356236, 34357469, 34357470, 38450143, ... 4 in total.
21984082
 
#21

Active BioPharma: 1979
AK Scientific: H959, R463
Amadis Chemical: A845355, A845356
Anward: ANW-45416
APIChem: AC-3497...55 total

ref: mol2, SDF, SMILES, flexibase
1.92,6.81,-48.71,3,7,1, 428.553, 9
mid: mol2, SDF, SMILES, flexibase
1.92,6.92,-48.11,3,7,1, 428.553, 9
mid: mol2, SDF, SMILES, flexibase
1.92,4.61,-16.16,2,7,0, 427.545, 9

Similar to: 34356236, 34357469, 34357470, 38450143, ... 4 in total.
1732
 
#22

Active BioPharma: 1799
American Custom Chemicals Corp.: CHM0030833
BePharm Building Blocks: B140124
Bosche Scientific: M6523
Sequoia Research Products: 59467-96-8...30 total

ref: mol2, SDF, SMILES, flexibase
3.07,9.54,-32.05,1,3,1, 326.782, 1
mid: mol2, SDF, SMILES, flexibase
3.07,9.07,-10.63,0,3,0, 325.774, 1
mid: mol2, SDF, SMILES, flexibase
3.07,10,-33.25,1,3,1, 326.782, 1
lo: mol2, SDF, SMILES, flexibase
3.07,10.47,-86.66,2,3,2, 327.79, 1
4099200
 
#23

ChemMol: 30107235, 44005805, 30101834, 44001362
eMolecules: 36737468
Molport: MolPort-003-666-752
AK Scientific: H771
Alinda Building Blocks: ALBB-028965...210 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.48,-24.9,1,7,0, 383.376, 7
ref: mol2, SDF, SMILES, flexibase
1.95,2.49,-24.17,1,7,0, 383.376, 7
mid: mol2, SDF, SMILES, flexibase
1.95,2.9,-47.21,2,7,1, 384.384, 7
mid: mol2, SDF, SMILES, flexibase
1.95,2.9,-46.46,2,7,1, 384.384, 7
hi: mol2, SDF, SMILES, flexibase
1.95,2.02,-54.17,0,7,-1, 382.368, 7
hi: mol2, SDF, SMILES, flexibase
1.95,2.02,-53.78,0,7,-1, 382.368, 7

Similar to: 4676424,
4676424
 
#24

ChemMol: 44005805, 2101450, 30101834, 44001362, 30107235
eMolecules: 36737468
Molport: MolPort-003-666-752, MolPort-019-940-472
AK Scientific: H771
APIChem: AC-900...171 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.48,-16.82,1,7,0, 383.376, 7
mid: mol2, SDF, SMILES, flexibase
1.95,2.89,-50.1,2,7,1, 384.384, 7
mid: mol2, SDF, SMILES, flexibase
1.95,2.89,-50.02,2,7,1, 384.384, 7
hi: mol2, SDF, SMILES, flexibase
1.95,2.01,-55.16,0,7,-1, 382.368, 7
hi: mol2, SDF, SMILES, flexibase
1.95,2.01,-55.75,0,7,-1, 382.368, 7

Similar to: 4099200,
1530804
 
#25

eMolecules: 594585
Scientific Exchange: M-836924
American Custom Chemicals Corp.: API0004451
BioSynth: Q-201846
Bosche Scientific: T2456...44 total

ref: mol2, SDF, SMILES, flexibase
0.16,-1.52,-44.79,1,9,-1, 338.358, 3
mid: mol2, SDF, SMILES, flexibase
0.16,-2,-12.26,2,9,0, 339.366, 3

Similar to: 13783494, 21984495, 22061272, 22061274, 23586802, ... 14 in total.
35018256
 
#26

American Custom Chemicals Corp.: API0004452
APIChem: AC-11592
Ark Pharm Building Blocks: AK-48920
BePharm Building Blocks: B1571, B224399
BioSynth: Q-100092...39 total

ref: mol2, SDF, SMILES, flexibase
2.31,6.39,-40.99,3,8,0, 422.461, 3
mid: mol2, SDF, SMILES, flexibase
2.31,4.23,-51.04,2,8,0, 421.453, 3
mid: mol2, SDF, SMILES, flexibase
2.31,2.6,-55.53,2,8,0, 421.453, 3
mid: mol2, SDF, SMILES, flexibase
2.31,4.49,-55.45,1,8,0, 420.445, 3

Similar to: 35572125, 35643838, 36311251, 36311253, 38153020, ... 9 in total.
49538594
 
#27

eMolecules: 30157511
Molport: MolPort-008-265-912, MolPort-005-979-609
Active BioPharma: 1223
Alinda Building Blocks: ALBB-022454
Amadis Chemical: A845501...101 total

ref: mol2, SDF, SMILES, flexibase
0.82,0.22,-59.92,3,5,0, 272.37, 6
hi: mol2, SDF, SMILES, flexibase
0.82,-1.07,-41.57,2,5,-1, 271.362, 6
lo: mol2, SDF, SMILES, flexibase
0.82,0.05,-49.18,4,5,1, 273.378, 6
49552142
 
#28

Molport: MolPort-005-979-609
Active BioPharma: 1223
Alinda Building Blocks: ALBB-022454
Amadis Chemical: A845501
APIChem: AC-19021...92 total

hi: mol2, SDF, SMILES, flexibase
0.82,-0.91,-41.79,2,5,-1, 271.362, 6
1444556
 
#29

ChemMol: 30101568
eMolecules: 2425535
Molport: MolPort-002-230-021
AK Scientific: I018
AKOS: AKOS005439340...81 total

ref: mol2, SDF, SMILES, flexibase
5.94,8.77,-7.56,1,3,0, 359.665, 3
ref: mol2, SDF, SMILES, flexibase
5.94,8.77,-7.17,1,3,0, 359.665, 3

Similar to: 38497574, 38564982,
12466569
 
#30

APIChem: AC-9385
Bosche Scientific: O11043
Enamine Building Blocks: EN300-122328
FineTech: FT-0620762
MicroSource Pharmakon: 01505206...21 total

lo: mol2, SDF, SMILES, flexibase
4.12,9.72,-41.19,3,9,0, 446.511, 8
lo: mol2, SDF, SMILES, flexibase
4.12,9.62,-36.92,3,9,0, 446.511, 8
13828184
 
#31

ChemMol: 44004104, 2101372, 30104572
Acorn PharmaTech: ACN-S001249
AK Scientific: M813
APIChem: AC-681
Ark Pharm Building Blocks: AK-57186...59 total

ref: mol2, SDF, SMILES, flexibase
3.72,12.61,-44.8,1,6,1, 427.594, 6
ref: mol2, SDF, SMILES, flexibase
3.72,12.54,-44.39,1,6,1, 427.594, 6
mid: mol2, SDF, SMILES, flexibase
3.72,10.4,-12.5,0,6,0, 426.586, 6
mid: mol2, SDF, SMILES, flexibase
3.72,10.33,-11.53,0,6,0, 426.586, 6

Similar to: 33974796, 33974797, 34225081, 34225082, 34324186, ... 20 in total.
105086
 
#32

ChemMol: 30107927, 44006160
eMolecules: 729333, 530749
Molport: MolPort-002-718-925, MolPort-001-740-892
TCM Database @ Taiwan: 37193, 30572, 31817
UEFS Natural Products: uefs-472...120 total

ref: mol2, SDF, SMILES, flexibase
0.71,-3.79,-12.73,5,7,0, 304.254, 1
ref: mol2, SDF, SMILES, flexibase
0.71,-4.14,-13.36,5,7,0, 304.254, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-3.14,-52.96,4,7,-1, 303.246, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-3.51,-56.93,4,7,-1, 303.246, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-3.07,-59.89,4,7,-1, 303.246, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-2.8,-52.35,4,7,-1, 303.246, 1

Similar to: 4096001, 4096945, 4096947, 6484598, 6484599, ... 12 in total.
1439
 
#33

AK Scientific: Y0411
FineTech: FT-0626404
Sequoia Research Products: 125-60-0
Tetrahedron Building Blocks: TS81616
Toronto Research Chemicals: F249000...23 total

ref: mol2, SDF, SMILES, flexibase
-0.47,10.33,-39.34,2,3,1, 337.487, 6

Similar to: 1438,
53007017
 
#34

eMolecules: 32278144
American Custom Chemicals Corp.: API0004036
APIChem: AC-1347
Boerchem Pharmatech BB: BC205360
Bosche Scientific: R2125...76 total

601304
 
#35

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.
1271441
 
#36

eMolecules: 902550, 594884
Molport: MolPort-003-666-790
Active BioPharma: 1305
Anward: ANW-42643
APIChem: AC-11120...61 total

ref: mol2, SDF, SMILES, flexibase
1.31,7.8,-42.42,3,9,1, 388.448, 4
hi: mol2, SDF, SMILES, flexibase
1.31,7.48,-18.61,2,9,0, 387.44, 4

Similar to: 3963999, 38225335, 38225336,
598034
 
#37

eMolecules: 594884, 902550
Molport: MolPort-003-666-790
Active BioPharma: 1305
Anward: ANW-42643
APIChem: AC-11120...60 total

ref: mol2, SDF, SMILES, flexibase
1.31,7.78,-39.71,3,9,1, 388.448, 4
hi: mol2, SDF, SMILES, flexibase
1.31,7.48,-19.52,2,9,0, 387.44, 4

Similar to: 1271441, 3963999, 38225335, 38225336, ... 4 in total.
19594578
 
#38

eMolecules: 715726
Scientific Exchange (make on demand): POD_17/0371
Acros Organics: 32927
Active BioPharma: 622
APIChem: AC-8061...67 total

ref: mol2, SDF, SMILES, flexibase
2.32,8.22,-42.09,0,8,-1, 345.331, 5
ref: mol2, SDF, SMILES, flexibase
2.32,7.84,-40.28,0,8,-1, 345.331, 5

Similar to: 31861358, 34344508, 34344509, 34371128, 34552226, ... 17 in total.
2017838
 
#39

ChemMol: 97900376
Active BioPharma: 737
Molport BB: MolPort-003-940-909
Sigma Aldrich (Building Blocks): D054|SIGMA, C0206|SIGMA
Tocris: 2267...65 total

ref: mol2, SDF, SMILES, flexibase
3.89,8.28,-39.17,2,2,1, 288.798, 1
hi: mol2, SDF, SMILES, flexibase
3.89,9.05,-61.19,1,2,0, 287.79, 1
hi: mol2, SDF, SMILES, flexibase
3.89,8.63,-45.42,0,2,-1, 286.782, 1
hi: mol2, SDF, SMILES, flexibase
3.89,7.86,-4.15,1,2,0, 287.79, 1

Similar to: 6116469, 6379393, 6379394, 26283343, 26283389, ... 5 in total.
3995327
 
#40

ChemMol: 97900982
Active BioPharma: 2079
Chembo Pharma: KB-286903
Tocris: 1893
BindingDB.org: 50290872...27 total

ref: mol2, SDF, SMILES, flexibase
4.24,8.91,-53.21,2,3,1, 345.466, 1
mid: mol2, SDF, SMILES, flexibase
4.24,9.29,-91.65,3,3,2, 346.474, 1

Similar to: 7999005, 34233512, 39030539, 43074387, 43074390, ... 8 in total.
3785268
 
#41

ChemMol: 44001933, 97900683
Molport: MolPort-003-850-218
Active BioPharma: 1466
AK Scientific: K590, V1621
Anward: ANW-61823...169 total

ref: mol2, SDF, SMILES, flexibase
3.94,6.12,-47.64,5,5,1, 416.582, 16
hi: mol2, SDF, SMILES, flexibase
3.94,4.71,-9.45,4,5,0, 415.574, 16

Similar to: 31544837, 31544846, 31544850, 38480371, 38512233, ... 8 in total.
3799072
 
#42

ChemMol: 97900683, 44003901, 30104343
Molport: MolPort-003-850-218
Active BioPharma: 1466
AK Scientific: Y6016, K590, V1621
American Custom Chemicals Corp.: API0012446...176 total

ref: mol2, SDF, SMILES, flexibase
3.94,6.19,-46.77,5,5,1, 416.582, 16
hi: mol2, SDF, SMILES, flexibase
3.94,4.83,-9.23,4,5,0, 415.574, 16

Similar to: 31544837, 31544846, 31544850, 38480371, 38512233, ... 8 in total.
1541570
 
#43

BindingDB.org: 50039947
ChEBI: CHEBI:64147
ChEMBL12: CHEMBL97450, CHEMBL1359181
ChEMBL12 10uM: CHEMBL97450
ChEMBL19: CHEMBL1359181...22 total

ref: mol2, SDF, SMILES, flexibase
5.07,-1.92,-45.88,4,3,1, 303.47, 11

Similar to: 3919049, 34459427, 34537498, 34537500, 34537504, ... 8 in total.
3934228
 
#44

Tocris: 2024
ChEMBL12: CHEMBL1324873, CHEMBL1616521
ChEMBL19: CHEMBL1324873, CHEMBL1616521
Collaborative Drug Discovery: 1418739, 192966, 1413145
Individual Suppliers: UNNAMED00000510...18 total

ref: mol2, SDF, SMILES, flexibase
4.12,6.13,-47.35,4,5,1, 415.513, 2

Similar to: 7999090, 26727660, 33748262, 36221175, 36221828, ... 8 in total.
3813088
 
#45

ChemMol: 30102636, 44002766
Enolase via KEGG (EFI): C04741_9
Molport: MolPort-020-001-257
TCM Database @ Taiwan: 44842
Acros Organics: 23502...133 total

ref: mol2, SDF, SMILES, flexibase
3.36,7.89,-49.67,2,5,-1, 353.479, 13
lo: mol2, SDF, SMILES, flexibase
3.36,5.91,-10.15,3,5,0, 354.487, 13

Similar to: 5820503, 5820607, 5820936, 5820938, 11592600, ... 13 in total.
2516018
 
#46

Molport BB: MolPort-003-983-724
Ryan Scientific: 048-04399
Ryan Scientific BB: 093-61696
Sigma Aldrich (Building Blocks): C106|SIGMA
Tocris: 2145...39 total

ref: mol2, SDF, SMILES, flexibase
3.62,10.6,-44.27,1,4,1, 335.353, 2
mid: mol2, SDF, SMILES, flexibase
3.62,8.17,-8.23,0,4,0, 334.345, 2
3786466
 
#47

ChemMol: 2101371, 30111739
American Custom Chemicals Corp.: API0003797, API0007674
APIChem: AC-6874
Ark Pharm Building Blocks: AK129802
BioSynth: Q-201548...105 total

ref: mol2, SDF, SMILES, flexibase
3.97,11.27,-39.66,2,2,1, 315.506, 4
hi: mol2, SDF, SMILES, flexibase
3.97,9.08,-5.67,1,2,0, 314.498, 4

Similar to: 8227321, 8227322, 8227324, 8227325, 8830624, ... 21 in total.
5761797
 
#48

AK Scientific: V1699, Y1120
Apexmol Building Blocks: AM84679
Sequoia Research Products: 197502-82-2
Toronto Research Chemicals: P193277
Zylexa Pharma BB: ZP-BB-AL008561...56 total

ref: mol2, SDF, SMILES, flexibase
3.49,5.33,-52.38,0,6,-1, 369.422, 5
lo: mol2, SDF, SMILES, flexibase
3.31,7.06,-16.88,1,6,0, 370.43, 5

Similar to: 34324220, 3949348,
1672
 
#49

ChemMol: 97900568
Molport: MolPort-011-942-444
Scientific Exchange Building Blocks: F-396589
Active BioPharma: 1271
AK Scientific: 8232AA...47 total

ref: mol2, SDF, SMILES, flexibase
3.34,10.41,-42.03,1,2,1, 264.364, 5
19632618
 
#50

ChemMol: 30107528, 97900108, 44005990
Molport: MolPort-003-986-615
Acorn PharmaTech: ACN-S002531, ACN-S001567
ACT Chemical BB: ACT05102
Active BioPharma: 189...258 total

ref: mol2, SDF, SMILES, flexibase
3.89,13.15,-49.4,3,8,1, 494.623, 7
mid: mol2, SDF, SMILES, flexibase
3.89,13.03,-52.36,3,8,1, 494.623, 7
mid: mol2, SDF, SMILES, flexibase
3.89,10.78,-14.7,2,8,0, 493.615, 7
lo: mol2, SDF, SMILES, flexibase
3.89,13.63,-88.27,4,8,2, 495.631, 7

Similar to: 34326800, 34471528, 34534843, 34534848, 38413756, ... 7 in total.
1999423
 
#51

ChemMol: 97900532
Active BioPharma: 1170
Ark Pharm Building Blocks: AK-56552
Tetrahedron Building Blocks: TS80872
Tractus: TRA0017042...34 total

ref: mol2, SDF, SMILES, flexibase
1.45,7.83,-43.72,2,6,1, 359.446, 5
mid: mol2, SDF, SMILES, flexibase
1.45,6.47,-11.81,1,6,0, 358.438, 5

Similar to: 1536786,
1536786
 
#52

ChemMol: 97900532
Active BioPharma: 1170
Ark Pharm Building Blocks: AK-56552
Tetrahedron Building Blocks: TS80872
Tractus: TRA0017042...36 total

ref: mol2, SDF, SMILES, flexibase
1.45,7.85,-43.46,2,6,1, 359.446, 5
mid: mol2, SDF, SMILES, flexibase
1.45,6.48,-12.63,1,6,0, 358.438, 5

Similar to: 1999423,
2094254
 
#53

ChemMol: 30108998, 44010665
Molport: MolPort-003-941-684
AK Scientific: Q437
APIChem: AC-488
Boerchem Pharmatech BB: BC677910...34 total

ref: mol2, SDF, SMILES, flexibase
2.65,-1.89,-54.12,4,3,1, 243.33, 0
mid: mol2, SDF, SMILES, flexibase
3.11,-3.29,-50.81,4,3,1, 243.33, 0

Similar to: 32267594, 32267595, 34383353, 34383354, 34383355, ... 10 in total.
14951170
 
#54

ChemMol: 97900020, 2101621
Active BioPharma: 58
Cayman Chemical: 10011126
Fluorochem: M01447
Molport BB: MolPort-003-983-532...39 total

ref: mol2, SDF, SMILES, flexibase
2.54,8.47,-84.45,5,4,2, 310.854, 7
mid: mol2, SDF, SMILES, flexibase
2.67,8.13,-38.57,4,4,1, 309.846, 8
mid: mol2, SDF, SMILES, flexibase
2.54,8,-36.36,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.54,8.13,-42.24,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.54,8.16,-38.08,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.54,7.98,-40.77,4,4,1, 309.846, 7
mid: mol2, SDF, SMILES, flexibase
2.67,8.1,-42.93,4,4,1, 309.846, 8
hi: mol2, SDF, SMILES, flexibase
2.67,8.11,-8.6,3,4,0, 308.838, 8
4759
 
#55

ChemMol: 97900788, 30109968, 44009285, 30104895, 44004310
Molport: MolPort-005-940-438, MolPort-003-666-609
Active BioPharma: 1634
AKOS: AKOS004119970, AKOS015855356
Anward: ANW-68883...156 total

ref: mol2, SDF, SMILES, flexibase
5.00,10.53,-34.64,1,1,1, 280.863, 5

Similar to: 531272,
531272
 
#56

ChemMol: 30104895, 97900788, 30109968, 44009285, 44004310
Molport: MolPort-005-940-438, MolPort-003-666-609
Active BioPharma: 1634
AKOS: AKOS004119970, AKOS015855356
Anward: ANW-68883...161 total

ref: mol2, SDF, SMILES, flexibase
5.00,10.74,-33.26,1,1,1, 280.863, 5

Similar to: 39391065, 39391066, 39391067, 39391068, 39391077, ... 22 in total.
3876186
 
#57

ChemMol: 44032023, 30108753, 44003990
American Custom Chemicals Corp.: API0006696, API0000550
Apexmol Building Blocks: AM20080957
APIChem: AC-1083
BOC Sciences BB: 285979-80-8...146 total

ref: mol2, SDF, SMILES, flexibase
0.84,6.27,-49.4,0,5,-1, 349.428, 2

Similar to: 4097466, 4340287, 6468649, 6469439, 6469462, ... 31 in total.
1261
 
#58

ChemMol: 30102680, 44002796
eMolecules: 877481
Acorn PharmaTech: ACN-S002092
AKOS: AKOS000280921
Alinda Building Blocks: ALBB-027276...115 total

ref: mol2, SDF, SMILES, flexibase
3.53,10,-42.36,2,2,1, 311.836, 0
3830986
 
#59

ChemMol: 44001363, 2101451, 97900706
eMolecules: 902018
ACT Chemical BB: ACT03358
Active BioPharma: 1500
Boerchem Pharmatech BB: BC208317...156 total

ref: mol2, SDF, SMILES, flexibase
2.88,5.61,-62.66,2,5,1, 370.376, 6

Similar to: 34475188, 1533246, 599734,
599734
 
#60

ChemMol: 2101451, 97900706, 44001363
eMolecules: 902018
ACT Chemical BB: ACT03358
Active BioPharma: 1500
AK Scientific: W0028...175 total

ref: mol2, SDF, SMILES, flexibase
2.88,5.41,-43.96,2,5,1, 370.376, 6

Similar to: 1533246, 3830986, 34475188,
1612996
 
#61

IBScreen Bioactives: Bio-0054
MedChem Express: HY-16562
MicroSource Pharmakon: 01505821
MicroSource US Drugs: 01505821
Molcan: irinotecan...122 total

ref: mol2, SDF, SMILES, flexibase
4.10,-1.53,-52.64,2,10,1, 587.697, 5
lo: mol2, SDF, SMILES, flexibase
4.10,-1.49,-93.29,3,10,2, 588.705, 5

Similar to: 22058728,
17953024
 
#62

AK Scientific: Z3118
American Custom Chemicals Corp.: API0002065
BOC Sciences BB: 2030-63-9
KeyOrganics Bioactives: KS-1412
Labotest: LT00771894...74 total

ref: mol2, SDF, SMILES, flexibase
8.43,14.23,-23.36,2,4,1, 474.415, 4

Similar to: 32202192,
1530935
 
#63

ChemMol: 2101506, 30104932, 44003825
eMolecules: 601413
AK Scientific: H932
American Custom Chemicals Corp.: API0003028
Anward: ANW-57672...162 total

ref: mol2, SDF, SMILES, flexibase
2.20,5.02,-58.56,2,6,1, 360.459, 8

Similar to: 1533246, 12496506, 34225200, 34225201, 34374651, ... 11 in total.
12496506
 
#64

ChemMol: 44003825, 2101506, 30104932
eMolecules: 601413
AK Scientific: H932
Anward: ANW-57672
Apexmol Building Blocks: AM81231...160 total

ref: mol2, SDF, SMILES, flexibase
2.20,4.82,-40.27,2,6,1, 360.459, 8

Similar to: 34225200, 34225201, 34374651, 34491691, 34491692, ... 16 in total.
537791
 
#65

ChemMol: 30102238, 44002534, 97900794, 97602840
Active BioPharma: 1646
American Custom Chemicals Corp.: API0002841
APIChem: AC-476
BioSynth: Q-201158...129 total

ref: mol2, SDF, SMILES, flexibase
3.44,5.49,-64.87,2,9,-1, 489.618, 8
ref: mol2, SDF, SMILES, flexibase
3.44,5.33,-22.95,3,9,0, 490.626, 8
lo: mol2, SDF, SMILES, flexibase
3.81,7.43,-20.32,3,9,0, 490.626, 7

Similar to: 39330415, 39330419, 39330424, 39330426, 39330428, ... 6 in total.
19702119
 
#66

ChemMol: 30104648, 44004145
eMolecules: 591516, 31413465
Molport: MolPort-002-507-957
Acorn PharmaTech: ACN-S002093
AK Scientific: K532...131 total

ref: mol2, SDF, SMILES, flexibase
2.72,9.13,-38.55,1,3,1, 266.368, 0
mid: mol2, SDF, SMILES, flexibase
2.72,6.69,-7.19,0,3,0, 265.36, 0

Similar to: 509,
21983163
 
#67

ChemMol: 30100929, 44001378
Molport: MolPort-003-848-340
AK Scientific: I788
AKOS: AKOS005066844
American Custom Chemicals Corp.: API0003105...68 total

ref: mol2, SDF, SMILES, flexibase
5.46,14.37,-16.83,1,7,0, 455.551, 11

Similar to: 22061805, 599089,
4097404
 
#68

BioSynth: Q-101014
Chembo Pharma: KB-62236
IBScreen Bioactives: Bio-0148
MedChem Express: HY-B0118A
Prestwick Chemical: Prestw-1359...53 total

ref: mol2, SDF, SMILES, flexibase
2.35,6.65,-80.57,1,6,2, 558.848, 6

Similar to: 31555524, 3831263, 3831264, 3831265, 3831266, ... 10 in total.
59817101
 
#69

BioSynth: Q-100338
ChEMBL12: CHEMBL1304714
ChEMBL19: CHEMBL1304714
Collaborative Drug Discovery: 155836
NIH Clinical Collection: SAM001246822...7 total

ref: mol2, SDF, SMILES, flexibase
2.27,6.48,-55.55,2,10,-1, 544.621, 10
lo: mol2, SDF, SMILES, flexibase
2.27,8.86,-63.13,3,10,0, 545.629, 10

Similar to: 38457687, 38457688, 38457689, 38457690, 38751250, ... 11 in total.
59817095
 
#70

BioSynth: Q-100338
ChEMBL12: CHEMBL1304714
ChEMBL19: CHEMBL1304714
Collaborative Drug Discovery: 155836
NIH Clinical Collection: SAM001246822...8 total

ref: mol2, SDF, SMILES, flexibase
2.27,6.66,-57.6,2,10,-1, 544.621, 10
lo: mol2, SDF, SMILES, flexibase
2.27,9,-79.24,3,10,0, 545.629, 10

Similar to: 38515930, 38751250, 16955161, 16955163, 16955165, ... 12 in total.
968264
 
#71

ChemMol: 30104909
eMolecules: 901711
AK Scientific: M230
AKOS: AKOS004119847
APIChem: AC-15790...127 total

ref: mol2, SDF, SMILES, flexibase
5.07,12.93,-39.97,1,1,1, 288.414, 0

Similar to: 3991165, 6117185, 32161770, 32255864, 34340857, ... 14 in total.
1534965
 
#72

ChemMol: 30116669
Molport: MolPort-035-395-695
Acorn PharmaTech: ACN-S001244
AK Scientific: X6296
AKOS: AKOS015900407...118 total

ref: mol2, SDF, SMILES, flexibase
3.91,10.86,-52.09,2,5,-1, 420.46, 8
lo: mol2, SDF, SMILES, flexibase
3.91,11.16,-65.01,3,5,0, 421.468, 8

Similar to: 1537520, 11616583, 11616585, 13828181, 34357973, ... 9 in total.
1850
 
#73

ChemMol: 44034117
eMolecules: 46510709
Molport: MolPort-023-220-197, MolPort-003-986-408
AKOS: AKOS015895232
American Custom Chemicals Corp.: API0003676...104 total

ref: mol2, SDF, SMILES, flexibase
3.26,2.06,-45.27,1,4,0, 337.419, 5

Similar to: 897253,
3952881
 
#74

ChemMol: 51502074, 30102771
Molport: MolPort-005-934-178, MolPort-027-713-805
Acorn PharmaTech: ACN-S002479
AK Scientific: M003, V0740
American Custom Chemicals Corp.: CHM0013764...90 total

ref: mol2, SDF, SMILES, flexibase
2.75,5.25,-98.72,2,9,-2, 355.306, 7

Similar to: 13863965,
13863965
 
#75

American Custom Chemicals Corp.: API0000414
Anward: ANW-61237
FineTech: FT-0602903
Tractus: TRA0040250, TRA0086303
Vesino Industrial Co Ltd: VA10368...37 total

ref: mol2, SDF, SMILES, flexibase
0.93,7.3,-115.73,2,9,-2, 355.306, 7

Similar to: 38807194, 3952881,
5626
 
#76

ChemMol: 44006597
AK Scientific: Y0427
AKOS: AKOS015900265
Ark Pharm Building Blocks: AK144156
BOC Sciences BB: 21498-08-8...70 total

ref: mol2, SDF, SMILES, flexibase
3.19,-2.62,-26.85,2,3,1, 260.144, 3
hi: mol2, SDF, SMILES, flexibase
3.46,6.41,-48.01,4,8,0, 442.475, 6

Similar to: 1266,
1266
 
#77

ChemMol: 44006597
AK Scientific: Y0427
AKOS: AKOS015900265
Ark Pharm Building Blocks: AK144156
BOC Sciences BB: 21498-08-8...77 total

ref: mol2, SDF, SMILES, flexibase
3.19,-2.62,-26.83,2,3,1, 260.144, 3
hi: mol2, SDF, SMILES, flexibase
-1.49,-8.18,-17.25,6,11,0, 424.443, 8

Similar to: 5626,
13119676
 
#78

ChemMol: 44005412, 30106557
AK Scientific: K673
APIChem: AC-1246
Boerchem Pharmatech BB: BC213681
FineTech: FT-0603056...38 total

ref: mol2, SDF, SMILES, flexibase
-0.57,1.1,-69.94,4,10,-1, 394.414, 5
hi: mol2, SDF, SMILES, flexibase
-0.57,2.1,-117.94,3,10,-2, 393.406, 5
lo: mol2, SDF, SMILES, flexibase
-0.57,1.3,-68.46,5,10,0, 395.422, 5

Similar to: 14768522, 33940339, 33940446, 33940447, 34038695, ... 52 in total.
3927198
 
#79

ChemMol: 97602828, 2100094
Molport: MolPort-023-219-575
American Custom Chemicals Corp.: API0001887
Ark Pharm Building Blocks: AK162391
Bosche Scientific: C5637...124 total

ref: mol2, SDF, SMILES, flexibase
-0.57,2.89,-71.41,4,10,-1, 394.414, 5
hi: mol2, SDF, SMILES, flexibase
-0.57,4.15,-131.62,3,10,-2, 393.406, 5

Similar to: 8584438, 8584439, 8584440, 13119676, 14768522, ... 63 in total.
12503147
 
#80

Prestwick Chemical: 462
Toronto Research Chemicals: C242820
Tractus: TRA0017132, TRA0085823
BindingDB.org: 88962, 84005
ChEMBL12: CHEMBL1430440...45 total

ref: mol2, SDF, SMILES, flexibase
-1.05,4.75,-116.9,3,12,-2, 451.442, 8

Similar to: 13704177, 14768564, 28470742, 34332618, 34332619, ... 59 in total.
4468778
 
#81

ChemMol: 44002905, 30102858, 97602827
American Custom Chemicals Corp.: API0001890
APIChem: AC-4350
Bosche Scientific: C2306
Capot Chemical: 13762...95 total

ref: mol2, SDF, SMILES, flexibase
-1.05,6.27,-132.48,3,12,-2, 451.442, 8

Similar to: 8402806, 12503147, 13704177, 34332618, 34332619, ... 53 in total.
19632917
 
#82

ChemMol: 44029539, 30102673
Molport: MolPort-002-051-367
APIChem: AC-13012
BePharm Building Blocks: B120662
BioSynth: W-105404...115 total

ref: mol2, SDF, SMILES, flexibase
2.12,7.54,-13.92,1,4,0, 299.761, 2
mid: mol2, SDF, SMILES, flexibase
2.12,7.84,-45.23,2,4,1, 300.769, 1

Similar to: 32150077, 39241469, 39285941,
853
 
#83

ChemMol: 30101492, 44001980
AKOS: AKOS015907739, AKOS005066335
Aldrich CPR: PH003072|ALDRICH
American Custom Chemicals Corp.: API0004460
APIChem: AC-796...211 total

ref: mol2, SDF, SMILES, flexibase
3.18,6.41,-36.54,2,3,1, 264.389, 4

Similar to: 2200, 3051, 488880, 488881, 1849532, ... 8 in total.
15515
 
#84

ChemMol: 30103060, 97602834, 44003041
eMolecules: 2726170
Molport: MolPort-003-666-626
ACT Chemical BB: ACT04392
AK Scientific: H718...118 total

ref: mol2, SDF, SMILES, flexibase
1.94,5.88,-44.25,3,5,1, 288.371, 5

Similar to: 38438730, 38438731, 39023333,
12503159
 
#85

ChemMol: 44006995, 30114353
Molport: MolPort-023-220-279
AK Scientific: H668
American Custom Chemicals Corp.: API0002472
APIChem: AC-8828...109 total

ref: mol2, SDF, SMILES, flexibase
2.12,9.09,-51.59,2,5,1, 325.388, 3

Similar to: 2688,
3995455
 
#86

ChemMol: 97901224
Active BioPharma: 2499
Molport BB: MolPort-003-983-593
Tetrahedron Building Blocks: TS75041
Tocris: 1457...24 total

ref: mol2, SDF, SMILES, flexibase
3.71,9.52,-48.52,4,5,1, 383.438, 11
lo: mol2, SDF, SMILES, flexibase
3.71,9.98,-111.09,5,5,2, 384.446, 11

Similar to: 5115833, 26251072, 34034015,
26251072
 
#87

ChemMol: 97901224
Active BioPharma: 2499
Molport BB: MolPort-003-983-593
Tetrahedron Building Blocks: TS75041
Tocris: 1457...28 total

ref: mol2, SDF, SMILES, flexibase
3.71,9.53,-49.57,4,5,1, 383.438, 11
lo: mol2, SDF, SMILES, flexibase
3.71,9.99,-111.16,5,5,2, 384.446, 11

Similar to: 34034015, 3995455,
3791397
 
#88

ChemMol: 2101619, 97900749
Active BioPharma: 1565
Angene Building Blocks: AGN-PC-0Q3LJQ
Chembo Pharma: KB-125336
Sigma Aldrich (Building Blocks): N3535|SIGMA...32 total

ref: mol2, SDF, SMILES, flexibase
4.39,11.85,-43.81,2,5,1, 366.485, 7

Similar to: 1535916,
1535916
 
#89

ChemMol: 97900749
Active BioPharma: 1565
Angene Building Blocks: AGN-PC-0Q3LJQ
Chembo Pharma: KB-125336
Tetrahedron Building Blocks: TS66621...27 total

ref: mol2, SDF, SMILES, flexibase
4.39,11.86,-43.31,2,5,1, 366.485, 7

Similar to: 3791397,
22920326
 
#90

ChemMol: 97900438
Active BioPharma: 916
American Custom Chemicals Corp.: CHM0162901, API0009158, CHM0145732
Labotest: LT00112414, LT00112416
Molport BB: MolPort-003-983-860...73 total

ref: mol2, SDF, SMILES, flexibase
4.14,9.85,-38.47,2,3,1, 322.476, 4
lo: mol2, SDF, SMILES, flexibase
4.14,12.13,-120.85,3,3,2, 323.484, 4

Similar to: 35859796, 45650983, 45650984,
12503197
 
#91

ChemMol: 44003721, 30114279, 30104058, 44008231
Molport: MolPort-005-934-919
American Custom Chemicals Corp.: API0005490
APIChem: AC-8910, AC-478
BioSynth: Q-101870...136 total

ref: mol2, SDF, SMILES, flexibase
2.43,7.37,-39.25,2,5,1, 313.425, 2

Similar to: 22056293, 34364572, 34364573,
57163
 
#92

ChemMol: 44004317, 30104913, 1036415, 97800525, 42301327, 2000385
eMolecules: 2746064
Molport: MolPort-002-130-557, MolPort-002-321-395, MolPort-000-004-525
Scientific Exchange (make on demand): Z-051764, K-041389
ACB Blocks: MIX-0001...199 total

ref: mol2, SDF, SMILES, flexibase
1.10,2.65,-46.13,4,3,1, 191.254, 3

Similar to: 4580666, 6094153, 6094154, 36459715, 38256242, ... 7 in total.
13454194
 
#93

ChemMol: 30109651, 97800647, 44010153
eMolecules: 592853
Acorn PharmaTech: ACN-S003176
ACT Chemical BB: ACT05134
AK Scientific: W5197...105 total

ref: mol2, SDF, SMILES, flexibase
1.54,3.93,-11.35,1,5,0, 163.136, 1

Similar to: 34223952, 39262116, 39367802,
4351
 
#94

ChemMol: 30105011, 44001887, 97900405, 30112846
eMolecules: 626322
Molport: MolPort-003-666-315
Active BioPharma: 803
AK Scientific: H904...144 total

ref: mol2, SDF, SMILES, flexibase
3.48,11.21,-46.67,1,2,1, 310.442, 0

Similar to: 520946, 521247,
897002
 
#95

ChemMol: 96708409, 30113326, 30111752, 30104995, 30109428, 44015444, 30104668, 2100077, 44004158
Molport: MolPort-006-069-213
ACT Chemical BB: ACT04747
AK Scientific: H838, M881, K500
Amadis Chemical: A845898...143 total

ref: mol2, SDF, SMILES, flexibase
2.78,9.6,-35.04,2,3,1, 275.416, 4

Similar to: 1530812, 1530814, 4213063, 5821259, 5821260, ... 14 in total.
18324776
 
#96

ChemMol: 2101375, 44026411
eMolecules: 33507624, 30390394
Molport: MolPort-027-845-948, MolPort-002-672-272, MolPort-005-975-775, MolPort-003-666-657, MolPort-020-313-423, MolPort-023-220-212
AK Scientific: X5251
AKOS: AKOS015895117...152 total

ref: mol2, SDF, SMILES, flexibase
2.56,6.46,-15.5,1,10,0, 488.614, 8
mid: mol2, SDF, SMILES, flexibase
3.01,4.67,-56.65,0,10,-1, 487.606, 8
mid: mol2, SDF, SMILES, flexibase
2.56,8.68,-54.65,2,10,1, 489.622, 8

Similar to: 34027056, 34038767, 34377020, 34561402, 60249989, ... 17 in total.
35024383
 
#97

ChemMol: 30105057
AK Scientific: H800
APIChem: AC-16012
Apollo Scientific Bioactives: BIM0109
Ark Pharm Building Blocks: AK115106...122 total

ref: mol2, SDF, SMILES, flexibase
-1.70,4.23,-57.77,3,7,-1, 366.806, 4

Similar to: 39310467, 39310468, 39310469, 39310470, ... 13 in total.
3860869
 
#98

Molport: MolPort-002-525-230
AK Scientific: K445, O606
American Custom Chemicals Corp.: SHG0000398
Ark Pharm Building Blocks: AK-78702
BePharm Building Blocks: B83115...73 total

ref: mol2, SDF, SMILES, flexibase
2.78,11.27,-60.04,0,5,-1, 401.523, 4
lo: mol2, SDF, SMILES, flexibase
2.78,9.29,-19.33,1,5,0, 402.531, 4

Similar to: 5276019, 5276022, 11616478, 11616479, 11616480, ... 25 in total.
597112
 
#99

ChemMol: 44027876, 30112835, 30102492
eMolecules: 485826
Molport: MolPort-001-738-732
AK Scientific: H734, O718
AKOS: AKOS005530685...111 total

ref: mol2, SDF, SMILES, flexibase
0.27,11.97,-102.25,1,6,0, 359.401, 4
mid: mol2, SDF, SMILES, flexibase
0.27,9.76,-64.7,0,6,-1, 358.393, 4
mid: mol2, SDF, SMILES, flexibase
-2.47,9.98,-82.44,2,6,1, 360.409, 3

Similar to: 5834907, 5839741, 5839751, 5849791, 5850961, ... 35 in total.
733
 
#100

ChemMol: 30108735, 83601213, 44010771, 97800902
eMolecules: 594160
Molport: MolPort-020-002-729, MolPort-023-221-543
Scientific Exchange (make on demand): F-393787
TCM Database @ Taiwan: tcm03_008005...153 total

ref: mol2, SDF, SMILES, flexibase
0.43,-0.78,-43.1,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.43,-2.29,-5.42,3,3,0, 167.208, 3

Similar to: 403588,

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 = 679 ) limit 0,100

Smiles were