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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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Structure

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4500002
 
#1

Mcule: MCULE-1107449923
Toslab: 870565
PubChem: 17038686, 53399793
AKOS (make-on-demand): AKOS005227723
Mcule Make-on-demand: MCULE-1107449923...6 total

ref: mol2, SDF, SMILES, flexibase
2.90,-3.87,-13.22,1,5,0, 328.393, 2

Similar to: 13681740,
4500001
 
#2

Mcule: MCULE-1717955433
Toslab: 870564
PubChem: 17038685, 53399795
AKOS (make-on-demand): AKOS005227722
ref: mol2, SDF, SMILES, flexibase
2.80,-3.93,-12.15,1,4,0, 285.324, 1
hi: mol2, SDF, SMILES, flexibase
2.80,-3.34,-45.63,0,4,-1, 284.316, 1
4500000
 
#3

Mcule: MCULE-2301101342
Toslab: 870563
PubChem: 17038684, 53399790
AKOS (make-on-demand): AKOS005227721
ref: mol2, SDF, SMILES, flexibase
2.86,-3.9,-13.58,1,5,0, 315.35, 2
hi: mol2, SDF, SMILES, flexibase
2.86,-3.31,-45.74,0,5,-1, 314.342, 2
4499998
 
#4

eMolecules: 4010956
Molport: MolPort-002-788-086
Scientific Exchange (make on demand): M-374010
AKOS: AKOS003332001
Alinda: IBS-C0005570...15 total

ref: mol2, SDF, SMILES, flexibase
3.44,-2.92,-10.83,1,5,0, 329.422, 7
hi: mol2, SDF, SMILES, flexibase
3.44,-2.34,-37.53,0,5,-1, 328.414, 7

Similar to: 6361874, 33701479, 58231599, 58231603, 58231846, ... 5 in total.
4499997
 
#5

eMolecules: 4020928
Molport: MolPort-002-788-595
Scientific Exchange (make on demand): M-373999
AKOS: AKOS003331833
Alinda: IBS-C0005569...16 total

ref: mol2, SDF, SMILES, flexibase
3.33,-3.64,-11.98,1,6,0, 341.458, 8
hi: mol2, SDF, SMILES, flexibase
3.33,-3.06,-41.62,0,6,-1, 340.45, 8

Similar to: 5940205, 39916632, 39916633, 39980875, ... 4 in total.
4499996
 
#6

Mcule: MCULE-2380432278
Toslab: 814082
ChemDB: 6126747
PubChem: 3257895, 2722595
AKOS (make-on-demand): AKOS005224754...6 total

ref: mol2, SDF, SMILES, flexibase
1.18,-6.26,-16.75,4,8,0, 396.428, 6
4499995
 
#7

eMolecules: 1128930
Molport: MolPort-001-847-991
Scientific Exchange (make on demand): E-009862
AKOS: AKOS002305552
Innovapharm: STT-00274073...23 total

ref: mol2, SDF, SMILES, flexibase
2.87,8.14,-66.47,1,7,-1, 411.438, 6
lo: mol2, SDF, SMILES, flexibase
2.87,8.48,-20.94,2,7,0, 412.446, 6
4499994
 
#8

eMolecules: 8331994
Molport: MolPort-004-971-941
AKOS: AKOS005223254
Mcule: MCULE-1007937208
Toslab: 800965...9 total

ref: mol2, SDF, SMILES, flexibase
1.86,1.72,-54.07,2,9,-1, 372.386, 6
mid: mol2, SDF, SMILES, flexibase
2.04,1.99,-43.95,2,9,-1, 372.386, 5
mid: mol2, SDF, SMILES, flexibase
1.86,1.75,-121.49,1,9,-2, 371.378, 6
3767185
 
#9

Mcule: MCULE-6424504397
Toslab: 800961
ChemDB: 6123388
PubChem: 2718269
AKOS (make-on-demand): AKOS005223223...5 total

ref: mol2, SDF, SMILES, flexibase
0.09,-1.37,-53.84,2,9,-1, 324.342, 7
mid: mol2, SDF, SMILES, flexibase
0.09,-1.4,-121.92,1,9,-2, 323.334, 7
hi: mol2, SDF, SMILES, flexibase
0.27,-1.11,-44.25,2,9,-1, 324.342, 6
4499991
 
#10

Mcule: MCULE-1774965222
Toslab: 800958
ChemDB: 6123386
PubChem: 6405187
AKOS (make-on-demand): AKOS005223294...5 total

ref: mol2, SDF, SMILES, flexibase
0.11,-1.3,-52.86,2,8,-1, 280.289, 4
mid: mol2, SDF, SMILES, flexibase
0.11,-1.31,-119.1,1,8,-2, 279.281, 4
hi: mol2, SDF, SMILES, flexibase
0.28,-1.02,-42.87,2,8,-1, 280.289, 3
4499990
 
#11

Mcule: MCULE-6588282855
Toslab: 800957
ChemDB: 6123358
PubChem: 6405165
AKOS (make-on-demand): AKOS005223293...5 total

ref: mol2, SDF, SMILES, flexibase
1.97,2.52,-50.96,2,8,-1, 360.35, 5
mid: mol2, SDF, SMILES, flexibase
1.97,2.49,-126.11,1,8,-2, 359.342, 5
hi: mol2, SDF, SMILES, flexibase
2.15,2.78,-40.66,2,8,-1, 360.35, 4
4499988
 
#12

Mcule: MCULE-8257150237
Toslab: 800954
ChemDB: 6123360
PubChem: 6405167
AKOS (make-on-demand): AKOS005223260...5 total

ref: mol2, SDF, SMILES, flexibase
2.63,4,-53.78,2,8,-1, 370.414, 5
mid: mol2, SDF, SMILES, flexibase
2.81,4.27,-43.92,2,8,-1, 370.414, 4
mid: mol2, SDF, SMILES, flexibase
2.63,3.89,-123.09,1,8,-2, 369.406, 5
4499986
 
#13

AKOS: AKOS000734185
Asinex: ASN13120503
Mcule: MCULE-5831842978
TimTec: ST51194615
Toslab: 800952...8 total

ref: mol2, SDF, SMILES, flexibase
2.96,4.87,-54.45,2,8,-1, 392.42, 5
mid: mol2, SDF, SMILES, flexibase
2.96,4.84,-135.74,1,8,-2, 391.412, 5
hi: mol2, SDF, SMILES, flexibase
3.14,5.13,-45.02,2,8,-1, 392.42, 4
4499985
 
#14

eMolecules: 8331976
AKOS: AKOS000734076
Asinex: ASN13120502
Mcule: MCULE-2072409393
TimTec: ST51185259...10 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.55,-52.53,2,8,-1, 356.387, 6
mid: mol2, SDF, SMILES, flexibase
1.51,2.53,-121.04,1,8,-2, 355.379, 6
hi: mol2, SDF, SMILES, flexibase
1.68,2.82,-42.95,2,8,-1, 356.387, 5
4499984
 
#15

eMolecules: 8331968
AKOS: AKOS000733966
Asinex: ASN13120498
Mcule: MCULE-7095846853
TimTec: ST51185260...10 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.11,-53.44,2,8,-1, 356.387, 5
mid: mol2, SDF, SMILES, flexibase
2.23,3.11,-121.94,1,8,-2, 355.379, 5
mid: mol2, SDF, SMILES, flexibase
2.41,3.37,-43.66,2,8,-1, 356.387, 4
4499983
 
#16

eMolecules: 8331960
AKOS: AKOS000733849
Asinex: ASN13120495
Mcule: MCULE-2478502427
TimTec: ST51188807...10 total

ref: mol2, SDF, SMILES, flexibase
2.68,3.81,-53.85,2,8,-1, 370.414, 5
mid: mol2, SDF, SMILES, flexibase
2.68,3.78,-133.15,1,8,-2, 369.406, 5
hi: mol2, SDF, SMILES, flexibase
2.86,4.07,-43.88,2,8,-1, 370.414, 4

Similar to: 4497834,
4499982
 
#17

eMolecules: 8331956
Molport: MolPort-004-971-928
Mcule: MCULE-2970732020
Toslab: 800941
ChemDB: 6123364...8 total

ref: mol2, SDF, SMILES, flexibase
0.56,-0.61,-53.01,2,8,-1, 294.316, 4
mid: mol2, SDF, SMILES, flexibase
0.56,-0.64,-120.12,1,8,-2, 293.308, 4
hi: mol2, SDF, SMILES, flexibase
0.73,-0.35,-41.79,2,8,-1, 294.316, 3
4499981
 
#18

AKOS: AKOS000733848
Asinex: ASN13120492
Mcule: MCULE-7143723909
TimTec: ST51188801
Toslab: 800937...8 total

ref: mol2, SDF, SMILES, flexibase
1.95,3.23,-52.58,2,8,-1, 370.414, 6
mid: mol2, SDF, SMILES, flexibase
1.95,3.2,-122.13,1,8,-2, 369.406, 6
hi: mol2, SDF, SMILES, flexibase
2.13,3.49,-41.52,2,8,-1, 370.414, 5
4497832
 
#19

eMolecules: 8331935
Mcule: MCULE-1335917280
Toslab: 800927, 800936
ChemDB: 6123369
PubChem: 6405173...8 total

ref: mol2, SDF, SMILES, flexibase
2.25,3.13,-53.41,2,8,-1, 356.387, 5
mid: mol2, SDF, SMILES, flexibase
2.25,3.1,-132.05,1,8,-2, 355.379, 5
hi: mol2, SDF, SMILES, flexibase
2.43,3.39,-43.39,2,8,-1, 356.387, 4
3767188
 
#20

eMolecules: 42777018
Molport: MolPort-004-971-927
AKOS: AKOS005223251
Mcule: MCULE-3861063233
Toslab: 800935...9 total

ref: mol2, SDF, SMILES, flexibase
0.54,-0.68,-53.9,2,9,-1, 338.369, 7
mid: mol2, SDF, SMILES, flexibase
0.54,-0.73,-122.96,1,9,-2, 337.361, 7
hi: mol2, SDF, SMILES, flexibase
0.72,-0.44,-42.83,2,9,-1, 338.369, 6
4497835
 
#21

AKOS: AKOS000734528
Mcule: MCULE-4037676019
Toslab: 800933
Asinex (Depleted): ASN13120488
ChemDB: 6123367...7 total

ref: mol2, SDF, SMILES, flexibase
3.08,4.66,-53.82,2,8,-1, 384.441, 5
mid: mol2, SDF, SMILES, flexibase
3.08,4.62,-133.41,1,8,-2, 383.433, 5
hi: mol2, SDF, SMILES, flexibase
3.26,4.91,-43.81,2,8,-1, 384.441, 4
4497834
 
#22

eMolecules: 8331945
AKOS: AKOS000734527
Asinex: ASN13120487
Mcule: MCULE-4451008169
TimTec: ST51192569...10 total

ref: mol2, SDF, SMILES, flexibase
3.08,4.35,-54.2,2,8,-1, 384.441, 5
mid: mol2, SDF, SMILES, flexibase
3.08,4.31,-133.81,1,8,-2, 383.433, 5
hi: mol2, SDF, SMILES, flexibase
3.26,4.61,-44.31,2,8,-1, 384.441, 4

Similar to: 4499983,
4497831
 
#23

eMolecules: 8331933
AKOS: AKOS000734414
Asinex: ASN13120484
Mcule: MCULE-8027892688
TimTec: ST51188805...10 total

ref: mol2, SDF, SMILES, flexibase
2.70,3.79,-53.74,2,8,-1, 370.414, 5
mid: mol2, SDF, SMILES, flexibase
2.70,3.76,-123.7,1,8,-2, 369.406, 5
mid: mol2, SDF, SMILES, flexibase
2.88,4.05,-43.74,2,8,-1, 370.414, 4
4497830
 
#24

Mcule: MCULE-5871137636
Toslab: 800924
ChemDB: 6123372
PubChem: 6405176
AKOS (make-on-demand): AKOS005223298...5 total

ref: mol2, SDF, SMILES, flexibase
3.41,5.55,-54.59,2,8,-1, 406.447, 5
mid: mol2, SDF, SMILES, flexibase
3.41,5.52,-135.95,1,8,-2, 405.439, 5
hi: mol2, SDF, SMILES, flexibase
3.59,5.8,-44.9,2,8,-1, 406.447, 4
4497829
 
#25

eMolecules: 207352983
Molport: MolPort-002-941-867
Scientific Exchange (make on demand): E-009854
AKOS: AKOS002305501
Innovapharm: STT-00274068...17 total

ref: mol2, SDF, SMILES, flexibase
2.85,-5.02,-16,3,7,0, 382.445, 6
4478299
 
#26

Mcule: MCULE-7753158481
Toslab: 776706
ChemDB: 6117830
PubChem: 4110247
AKOS (make-on-demand): AKOS005222438...5 total

ref: mol2, SDF, SMILES, flexibase
0.23,-1.29,-14.92,3,9,0, 292.299, 6

Similar to: 6564502,
4478297
 
#27

Mcule: MCULE-8149251399
Toslab: 776695
ChemDB: 6122367
PubChem: 3534346, 5854026
AKOS (make-on-demand): AKOS005222418...6 total

ref: mol2, SDF, SMILES, flexibase
3.31,0.82,-7.14,1,6,0, 304.375, 7

Similar to: 5822944, 31871221,
4478295
 
#28

Mcule: MCULE-1743168299
Toslab: 776693
ChemDB: 6122483
PubChem: 4278206, 9655845
AKOS (make-on-demand): AKOS005222398...6 total

ref: mol2, SDF, SMILES, flexibase
2.56,1.08,-8.36,1,6,0, 294.311, 6

Similar to: 5822944, 31871221, 34694641,
4478293
 
#29

Mcule: MCULE-9646772494
Toslab: 776644
ChemDB: 6120221
PubChem: 3561437
AKOS (make-on-demand): AKOS005222417...5 total

ref: mol2, SDF, SMILES, flexibase
2.79,-2.63,-13.92,2,5,0, 343.33, 3

Similar to: 8488120, 8488121, 4478292,
4478291
 
#30

AKOS: AKOS000734929
Asinex: ASN13119826
Mcule: MCULE-2561431305
TimTec: ST51196864
Toslab: 776608...9 total

ref: mol2, SDF, SMILES, flexibase
3.01,-1.92,-16.08,2,7,0, 401.366, 6

Similar to: 4478290,
4478289
 
#31

Mcule: MCULE-4894827729
Toslab: 776593
ChemDB: 6120236
PubChem: 3489692
AKOS (make-on-demand): AKOS005222404...5 total

ref: mol2, SDF, SMILES, flexibase
3.74,-0.33,-11.23,1,4,0, 341.358, 3

Similar to: 8488120, 8488121, 4478288,
4478287
 
#32

AKOS: AKOS000732002
Asinex: ASN13119820
Mcule: MCULE-9268764701
TimTec: ST51201018
Toslab: 776545...9 total

ref: mol2, SDF, SMILES, flexibase
5.64,0.35,-12.64,1,4,0, 417.456, 4

Similar to: 4478284, 4478285, 4478286,
4478285
 
#33

Mcule: MCULE-7684930543
Toslab: 776520
ChemDB: 6120256
PubChem: 4127325, 7243113
AKOS (make-on-demand): AKOS005222402...6 total

ref: mol2, SDF, SMILES, flexibase
4.74,-0.29,-12.7,1,4,0, 389.402, 4

Similar to: 4478286, 4478287, 4478284,
4478283
 
#34

Mcule: MCULE-7014414087
Toslab: 776518
ChemDB: 4099351
PubChem: 5927821
AKOS (make-on-demand): AKOS005222394...5 total

ref: mol2, SDF, SMILES, flexibase
3.04,2.93,-15.1,2,7,0, 401.366, 6
mid: mol2, SDF, SMILES, flexibase
3.04,3.32,-43.6,1,7,-1, 400.358, 6

Similar to: 38204091, 4478282,
4478281
 
#35

Mcule: MCULE-5763840326
Toslab: 776514
ChemDB: 7463197
PubChem: 4873395
AKOS (make-on-demand): AKOS005222389...5 total

ref: mol2, SDF, SMILES, flexibase
3.57,0.07,-14.65,1,7,0, 415.393, 7

Similar to: 33435766, 33435767, 4478280,
4478279
 
#36

Mcule: MCULE-2300489723
Toslab: 776513
ChemDB: 6120259
PubChem: 4459840
AKOS (make-on-demand): AKOS005222383...5 total

ref: mol2, SDF, SMILES, flexibase
3.97,0.37,-13.24,1,6,0, 399.394, 6

Similar to: 8694190, 8694191, 4478276, 4478277, 4478278, ... 5 in total.
4478277
 
#37

Molport: MolPort-004-971-593
Mcule: MCULE-8798457876
Toslab: 776512
ChemDB: 6120128
PubChem: 5052245...6 total

ref: mol2, SDF, SMILES, flexibase
3.52,0.05,-13.32,1,6,0, 385.367, 6

Similar to: 4478278, 4478279, 8694190, 8694191, ... 5 in total.
4478275
 
#38

Mcule: MCULE-8789292621
Toslab: 776493
ChemDB: 6120234
PubChem: 5841325
AKOS (make-on-demand): AKOS005222421...5 total

ref: mol2, SDF, SMILES, flexibase
3.23,-2.4,-12.82,2,5,0, 343.33, 3

Similar to: 8488120, 8488121, 4478274,
4478273
 
#39

Mcule: MCULE-5466756686
Toslab: 776458
ChemDB: 6120150
PubChem: 4395274
AKOS (make-on-demand): AKOS005222387...5 total

ref: mol2, SDF, SMILES, flexibase
3.53,0.29,-15.63,1,7,0, 415.393, 7

Similar to: 4478272,
4478271
 
#40

Molport: MolPort-003-814-359
Mcule: MCULE-4246669272
Ryan Scientific (Depleted): 002-40043
Specs: AF-407/15388081
Toslab: 776187...9 total

ref: mol2, SDF, SMILES, flexibase
5.95,0.41,-10.94,0,1,0, 342.872, 2
4478265
 
#41

Toslab: 768413
PubChem: 7243111, 9568026, 7243110
AKOS (make-on-demand): AKOS005222134
ref: mol2, SDF, SMILES, flexibase
6.65,8.65,-6.69,2,3,0, 391.342, 4

Similar to: 13566876, 13566877, 13566878, 13566879, 38906279, ... 8 in total.
4478264
 
#42

Toslab: 768413
PubChem: 7243109, 9568026, 7243108
AKOS (make-on-demand): AKOS005222134
ref: mol2, SDF, SMILES, flexibase
6.65,8.84,-4.3,2,3,0, 391.342, 4

Similar to: 4478265, 13566876, 13566877, 13566878, 13566879, ... 8 in total.
4478262
 
#43

American Custom Chemicals Corp.: HCH0196970
Mcule: MCULE-7708812112
Toslab: 768413
ChemDB: 6125364
PubChem: 5166516...5 total

ref: mol2, SDF, SMILES, flexibase
6.65,8.65,-6.29,2,3,0, 391.342, 4
mid: mol2, SDF, SMILES, flexibase
6.65,9.89,-47.88,3,3,1, 392.35, 4
hi: mol2, SDF, SMILES, flexibase
6.65,8.59,-7.94,2,3,0, 391.342, 4

Similar to: 4478263, 4478264, 4478265, 13566876, 13566877, ... 8 in total.
4478260
 
#44

Molport: MolPort-002-025-758
AKOS: AKOS000508745
Mcule: MCULE-1476018122
TimTec: ST51199121
Toslab: 768398...10 total

ref: mol2, SDF, SMILES, flexibase
6.93,0.1,-42.07,3,2,1, 410.581, 4

Similar to: 4478261, 4836800, 4836801, 4836803, 4836804, ... 9 in total.
4478258
 
#45

Molport: MolPort-002-025-758
AKOS: AKOS000508745
Mcule: MCULE-1476018122
TimTec: ST51199121
Toslab: 768398...10 total

ref: mol2, SDF, SMILES, flexibase
6.93,0.53,-38.5,3,2,1, 410.581, 4

Similar to: 4478259, 4478260, 4478261, 4836800, 4836801, ... 9 in total.
9363628
 
#46

eMolecules: 1321876
Molport: MolPort-001-959-054
AKOS: AKOS000567514
Asinex: BAS01247847
ChemBridge: 6169566...21 total

ref: mol2, SDF, SMILES, flexibase
3.93,8.25,-59.48,0,6,-1, 394.447, 8
mid: mol2, SDF, SMILES, flexibase
4.38,1.35,-18.72,1,6,0, 395.455, 7

Similar to: 40077415, 40077539, 9011867, 9011868, ... 4 in total.
4478252
 
#47

Mcule: MCULE-9113650431
Toslab: 767897
ACB Blocks (Depleted): 767897
ChemDB: 6116679
PubChem: 5084541...8 total

ref: mol2, SDF, SMILES, flexibase
2.36,-2.58,-8.21,3,6,0, 343.334, 3

Similar to: 4478253,
4478250
 
#48

Mcule: MCULE-3859633247
Toslab: 767894
ACB Blocks (Depleted): 767894
ChemDB: 6125055
PubChem: 7243092...7 total

ref: mol2, SDF, SMILES, flexibase
2.47,-1.51,-11.11,3,7,0, 367.331, 4

Similar to: 4478251,
4478249
 
#49

Mcule: MCULE-1828857252
Toslab: 767893
ACB Blocks (Depleted): 767893
ChemDB: 6125074
PubChem: 7243091...8 total

ref: mol2, SDF, SMILES, flexibase
2.91,-1.44,-8.57,3,6,0, 351.332, 3

Similar to: 6255630, 6255632, 4478244, 4478248, 4478245, ... 5 in total.
4478247
 
#50

AKOS: AKOS000732336
Asinex: ASN13119726
Mcule: MCULE-8369201916
TimTec: ST51187652
Toslab: 767892...10 total

ref: mol2, SDF, SMILES, flexibase
2.51,-1.74,-9.82,3,7,0, 367.331, 4

Similar to: 4478246,
4478245
 
#51

AKOS: AKOS000732335
Mcule: MCULE-4211105399
TimTec: ST51180794
Toslab: 767889
ACB Blocks (Depleted): 767889...10 total

ref: mol2, SDF, SMILES, flexibase
2.46,-1.76,-8.69,3,6,0, 337.305, 3

Similar to: 4478248, 4478249, 6255630, 6255632, ... 5 in total.
4478243
 
#52

Mcule: MCULE-1926695416
Toslab: 767874
ACB Blocks (Depleted): 767874
ChemDB: 6124572
PubChem: 4191097...7 total

ref: mol2, SDF, SMILES, flexibase
2.55,-1.15,-13.41,3,8,0, 397.748, 3

Similar to: 4478242,
4478241
 
#53

Mcule: MCULE-4786359923
Toslab: 767872
ChemDB: 6124590
PubChem: 4395993
AKOS (make-on-demand): AKOS005222121...5 total

ref: mol2, SDF, SMILES, flexibase
1.93,-0.98,-14.96,3,9,0, 393.329, 4

Similar to: 4478240,
4478239
 
#54

Mcule: MCULE-3009354295
Toslab: 767871
ChemDB: 6124573
PubChem: 3604237
AKOS (make-on-demand): AKOS005222120...5 total

ref: mol2, SDF, SMILES, flexibase
2.32,-0.69,-13.6,3,8,0, 377.33, 3

Similar to: 4478238,
4478235
 
#55

Toslab: 767854
PubChem: 40580247
ref: mol2, SDF, SMILES, flexibase
1.62,0.64,-44.66,3,8,1, 367.34, 3
4478233
 
#56

Toslab: 767847
Asinex (Depleted): ASN13119711
ref: mol2, SDF, SMILES, flexibase
2.51,1.33,-45.16,3,8,1, 395.756, 3

Similar to: 4396222,
4478231
 
#57

Toslab: 767843
ref: mol2, SDF, SMILES, flexibase
0.97,-1.8,-43.96,4,10,1, 409.352, 4

Similar to: 4478230,
4478229
 
#58

Toslab: 767842
ref: mol2, SDF, SMILES, flexibase
1.41,-1.81,-43.41,4,9,1, 393.353, 3

Similar to: 5242022, 5242032, 4398703, 4478225, 4478228, ... 5 in total.
4478227
 
#59

Toslab: 767841
ref: mol2, SDF, SMILES, flexibase
1.02,-2.11,-44.75,4,10,1, 409.352, 4

Similar to: 4478226,
4478225
 
#60

Toslab: 767838
ref: mol2, SDF, SMILES, flexibase
0.96,-2.1,-43.29,4,9,1, 379.326, 3

Similar to: 4478228, 4478229, 5242022, 5242032, ... 5 in total.
4478220
 
#61

Mcule: MCULE-4471441761
Toslab: 750668
ChemDB: 5849331
PubChem: 1500200, 564649
Mcule Make-on-demand: MCULE-4471441761...6 total

ref: mol2, SDF, SMILES, flexibase
3.00,8.9,-17.47,1,3,0, 292.382, 5
mid: mol2, SDF, SMILES, flexibase
3.54,8,-46.45,0,3,-1, 291.374, 4
lo: mol2, SDF, SMILES, flexibase
2.79,-1.57,-104.23,2,3,2, 294.398, 4
lo: mol2, SDF, SMILES, flexibase
3.00,9.28,-46.16,2,3,1, 293.39, 5

Similar to: 4478219,
4478218
 
#62

eMolecules: 25831071
Molport: MolPort-002-025-754
Scientific Exchange (make on demand): T-070171
AKOS: AKOS000508743
Asinex: BAS13119692...15 total

ref: mol2, SDF, SMILES, flexibase
4.98,3.02,-12.38,1,4,0, 369.417, 6

Similar to: 1211863,
4478216
 
#63

IBScreen: STOCK1S-39769
Toslab: 750640
PubChem: 6545660
AKOS (make-on-demand): AKOS005222093
ref: mol2, SDF, SMILES, flexibase
1.29,-4.81,-10.85,2,7,0, 334.372, 2

Similar to: 4478217, 4512547, 195030, 4478214, 4478215, ... 5 in total.
4478214
 
#64

eMolecules: 1547332, 26249436
Molport: MolPort-002-025-750, MolPort-002-546-299
AKOS: AKOS000508738
ChemDiv: 3454-2009
IBScreen: STOCK1S-39769...18 total

ref: mol2, SDF, SMILES, flexibase
1.29,-6.31,-9.05,2,7,0, 334.372, 2

Similar to: 4478215, 4478216, 4478217, 4512547, ... 5 in total.
13151584
 
#65

eMolecules: 1347525, 4449620
Molport: MolPort-001-966-771, MolPort-002-569-224
AKOS: AKOS000550051, AKOS001629119
Asinex: BAS01838369
ChemDiv: 3454-1891...27 total

ref: mol2, SDF, SMILES, flexibase
0.66,10.26,-24.16,0,10,0, 372.374, 10

Similar to: 4952780,
4478209
 
#66

eMolecules: 1231297
Molport: MolPort-001-935-594
Scientific Exchange (make on demand): POD_51/0764
AKOS: AKOS000516116
Aldrich CPR: PH005190|ALDRICH...28 total

ref: mol2, SDF, SMILES, flexibase
4.47,1.92,-9.64,0,3,0, 299.329, 2

Similar to: 4579189, 4714074, 5603466,
9068226
 
#67

Pharmeks: PHAR043918
Toslab: 748095
ref: mol2, SDF, SMILES, flexibase
2.50,-0.98,-14.28,1,5,0, 311.366, 2
4478203
 
#68

Mcule: MCULE-4188185453
Toslab: 746165
ChemDB: 6122371
Individual Suppliers: UNNAMED00000149
PubChem: 1499019...6 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-0.27,-43.12,3,6,1, 228.301, 2
4478201
 
#69

Mcule: MCULE-7698921476
Toslab: 745838
ChemDB: 6117626
PubChem: 6817854, 6414521
AKOS (make-on-demand): AKOS005222276...6 total

ref: mol2, SDF, SMILES, flexibase
3.02,0.42,-35.23,3,7,1, 384.847, 6

Similar to: 6758468,
3767635
 
#70

Mcule: MCULE-1911574029
Toslab: 745770
ChemDB: 6118738
PubChem: 9614355, 6763163
AKOS (make-on-demand): AKOS005222266...6 total

ref: mol2, SDF, SMILES, flexibase
1.74,-0.89,-64.3,3,8,0, 351.366, 5
3767640
 
#71

Mcule: MCULE-9359154645
Toslab: 745756
ChemDB: 4099637
PubChem: 9614356, 6763165
AKOS (make-on-demand): AKOS005222246...6 total

ref: mol2, SDF, SMILES, flexibase
1.86,-0.27,-27.86,3,7,1, 338.391, 5
4478193
 
#72

Mcule: MCULE-3798166401
Toslab: 745734
ChemDB: 6117624
AKOS (make-on-demand): AKOS005222238
ref: mol2, SDF, SMILES, flexibase
2.60,-3.45,-31.39,4,6,1, 373.234, 4

Similar to: 5988135, 34872152,
15226931
 
#73

Mcule: MCULE-5691653393
Toslab: 745694
ChemDB: 4099668
PubChem: 5527319, 26478099
AKOS (make-on-demand): AKOS005222219...6 total

ref: mol2, SDF, SMILES, flexibase
1.85,6.77,-27.33,4,5,1, 282.302, 3
mid: mol2, SDF, SMILES, flexibase
3.11,6.25,-12.79,3,5,0, 281.294, 3
hi: mol2, SDF, SMILES, flexibase
3.10,6.72,-45.63,2,5,-1, 280.286, 3
16949236
 
#74

Mcule: MCULE-9728076159
Toslab: 745682
ChemDB: 6118746
PubChem: 6796937
AKOS (make-on-demand): AKOS005222208...5 total

ref: mol2, SDF, SMILES, flexibase
3.01,7.75,-27.92,4,5,1, 333.202, 3
mid: mol2, SDF, SMILES, flexibase
4.27,7.85,-27.01,4,5,1, 333.202, 3
16949224
 
#75

Mcule: MCULE-8255265028
Toslab: 745583
ChemDB: 6118607
AKOS (make-on-demand): AKOS005222264
ref: mol2, SDF, SMILES, flexibase
-2.12,0.35,-23,4,9,0, 310.339, 4
mid: mol2, SDF, SMILES, flexibase
-2.12,0.4,-14.46,4,9,0, 310.339, 4
mid: mol2, SDF, SMILES, flexibase
-2.12,0.35,-40.81,3,9,-1, 309.331, 4
4478178
 
#76

Toslab: 745575
ref: mol2, SDF, SMILES, flexibase
-1.52,-7.09,-43.31,5,8,1, 315.766, 3
4478176
 
#77

Toslab: 745567
ref: mol2, SDF, SMILES, flexibase
-0.87,-7.24,-42.51,5,8,1, 350.211, 3
4478174
 
#78

Toslab: 745563
ref: mol2, SDF, SMILES, flexibase
-0.06,-3.19,-47.03,5,8,1, 377.215, 3
16949210
 
#79

Mcule: MCULE-1048017161
Toslab: 745552
ChemDB: 6118592
AKOS (make-on-demand): AKOS005222252
ref: mol2, SDF, SMILES, flexibase
-1.18,4.95,-34.25,3,8,-1, 324.299, 3
mid: mol2, SDF, SMILES, flexibase
0.08,4.98,-15.02,4,8,0, 325.307, 3
4478168
 
#80

Toslab: 745533
ref: mol2, SDF, SMILES, flexibase
0.11,-1.6,-44.41,5,7,1, 325.327, 3
4478166
 
#81

Toslab: 745529
ref: mol2, SDF, SMILES, flexibase
-0.02,-2.5,-43.35,5,8,1, 337.363, 4
6056717
 
#82

Mcule: MCULE-3779381511
Toslab: 745478
ChemDB: 6118640
PubChem: 6762932
AKOS (make-on-demand): AKOS005222214...5 total

ref: mol2, SDF, SMILES, flexibase
1.69,2.13,-9.37,2,8,0, 343.265, 4
mid: mol2, SDF, SMILES, flexibase
2.14,0.29,-40.59,1,8,-1, 342.257, 4
5829667
 
#83

Mcule: MCULE-8531873121
Toslab: 745453
ChemDB: 6118514
PubChem: 6762787, 6762786
AKOS (make-on-demand): AKOS005222193...6 total

ref: mol2, SDF, SMILES, flexibase
0.78,1.67,-11.53,2,8,0, 289.295, 3
hi: mol2, SDF, SMILES, flexibase
1.23,-0.2,-46.68,1,8,-1, 288.287, 3
6056714
 
#84

Mcule: MCULE-9076909784
Toslab: 745420
ChemDB: 6118636
PubChem: 6762926
AKOS (make-on-demand): AKOS005222185...5 total

ref: mol2, SDF, SMILES, flexibase
2.58,5.28,-11.21,2,7,0, 339.33, 3
hi: mol2, SDF, SMILES, flexibase
3.04,3.42,-44.75,1,7,-1, 338.322, 3
6009140
 
#85

Mcule: MCULE-4085100203
Toslab: 745396
ChemDB: 6118635
PubChem: 6762925, 6762924
AKOS (make-on-demand): AKOS005222183...6 total

ref: mol2, SDF, SMILES, flexibase
2.87,5.72,-12.84,2,8,0, 365.393, 4
hi: mol2, SDF, SMILES, flexibase
3.33,3.89,-53.48,1,8,-1, 364.385, 4
6056723
 
#86

Mcule: MCULE-3397937230
Toslab: 745378
ChemDB: 6118652
PubChem: 6762934
AKOS (make-on-demand): AKOS005222178...5 total

ref: mol2, SDF, SMILES, flexibase
3.13,5.03,-11.39,2,8,0, 385.811, 4
hi: mol2, SDF, SMILES, flexibase
3.58,3.17,-44.9,1,8,-1, 384.803, 4
4478144
 
#87

Mcule: MCULE-7901030284
Toslab: 745356
ChemDB: 6117630
PubChem: 4285217
AKOS (make-on-demand): AKOS005222234...5 total

ref: mol2, SDF, SMILES, flexibase
2.96,1.94,-12.69,0,5,0, 244.298, 3

Similar to: 38762929,
4478138
 
#88

eMolecules: 708862
Mcule: MCULE-9593041194
Toslab: 739906
ACB Blocks (Depleted): 739906
ChEMBL12: CHEMBL1736870...12 total

ref: mol2, SDF, SMILES, flexibase
3.16,8.46,-32.22,2,4,1, 291.396, 5
mid: mol2, SDF, SMILES, flexibase
3.16,8.53,-33.8,2,4,1, 291.396, 4
mid: mol2, SDF, SMILES, flexibase
3.16,7.4,-8.12,1,4,0, 290.388, 4

Similar to: 4942646, 6665708, 6665709, 6666321, 6666322, ... 13 in total.
4478136
 
#89

Mcule: MCULE-6397149151
Toslab: 726033
ChemDB: 6122478
PubChem: 9627897, 3610541
AKOS (make-on-demand): AKOS005221927...6 total

ref: mol2, SDF, SMILES, flexibase
3.29,1.23,-7.47,1,6,0, 304.375, 6

Similar to: 4478137, 5822944, 31871221, 33690502, 33716415, ... 5 in total.
4478134
 
#90

Mcule: MCULE-8496602457
Toslab: 726031
ChemDB: 6122486
PubChem: 9610844, 5178519
AKOS (make-on-demand): AKOS005221909...6 total

ref: mol2, SDF, SMILES, flexibase
3.02,0.35,-9.01,1,6,0, 310.766, 6

Similar to: 5822944, 31871221, 33767116,
4478132
 
#91

Mcule: MCULE-8675160829
Toslab: 725398
ChemDB: 6123741
AKOS (make-on-demand): AKOS005221913
ref: mol2, SDF, SMILES, flexibase
2.82,-0.37,-39.91,1,9,-1, 392.376, 5

Similar to: 40147310,
4478130
 
#92

Mcule: MCULE-5415881746
Toslab: 725391
ChemDB: 4637286
PubChem: 3703964, 5899507
AKOS (make-on-demand): AKOS005221905...7 total

ref: mol2, SDF, SMILES, flexibase
4.64,2.21,-14.55,1,5,0, 374.469, 5

Similar to: 13115426, 32191343, 32191345, 32251215, 32251219, ... 5 in total.
4478129
 
#93

Mcule: MCULE-1679675187
Toslab: 725390
ChemDB: 6123773
PubChem: 4172514, 6027777
AKOS (make-on-demand): AKOS005221900...6 total

ref: mol2, SDF, SMILES, flexibase
2.77,1.78,-17.42,1,7,0, 392.44, 6

Similar to: 5526643, 6635694, 33850112, 40147307, 40147312, ... 6 in total.
4478127
 
#94

Mcule: MCULE-6336066158
Toslab: 725384
ChemDB: 6123772
PubChem: 6002026, 4067555
AKOS (make-on-demand): AKOS005221895...6 total

ref: mol2, SDF, SMILES, flexibase
3.26,2.17,-17.07,1,5,0, 350.378, 4

Similar to: 32191343, 32191345, 32251215, 32251219, ... 4 in total.
4478125
 
#95

Mcule: MCULE-7264677260
Toslab: 725374
ChemDB: 4099350
AKOS (make-on-demand): AKOS005221946
ref: mol2, SDF, SMILES, flexibase
2.88,-0.47,-15.61,2,6,0, 348.387, 4

Similar to: 32191343, 32191345, 32251215, 32251219, ... 4 in total.
6161136
 
#96

Toslab: 725368
ref: mol2, SDF, SMILES, flexibase
1.14,7.13,-34.87,0,6,-1, 195.202, 2
mid: mol2, SDF, SMILES, flexibase
1.14,6.72,-46.44,2,6,1, 197.218, 2

Similar to: 6621804, 33776251, 38523713,
4478121
 
#97

Molport: MolPort-019-740-030
Mcule: MCULE-5660133060
Toslab: 725365
ChemDB: 6122352
PubChem: 4068097...7 total

ref: mol2, SDF, SMILES, flexibase
2.40,0.64,-9.07,1,7,0, 306.347, 7
4478119
 
#98

Mcule: MCULE-6747704837
Toslab: 725182
ChemDB: 4099537
PubChem: 3248604, 9661290
AKOS (make-on-demand): AKOS005221910...6 total

ref: mol2, SDF, SMILES, flexibase
1.74,7.72,-10.17,0,5,0, 239.348, 3
4478113
 
#99

Mcule: MCULE-3543354730
Toslab: 725016
ChemDB: 6120162
PubChem: 1498230
AKOS (make-on-demand): AKOS005221885...5 total

ref: mol2, SDF, SMILES, flexibase
4.19,1.91,-60.81,0,6,-1, 382.343, 6
4478111
 
#100

Molport: MolPort-019-772-302
Mcule: MCULE-7250081621
Toslab: 724979
ChemDB: 6119361
PubChem: 3444812...7 total

ref: mol2, SDF, SMILES, flexibase
3.62,2.33,-11.06,0,6,0, 383.404, 4

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 = 172 ) limit 0,100

Smiles were